smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=O)C[N@@H+]1CCCC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164689512 719747372 /nfs/dbraw/zinc/74/73/72/719747372.db2.gz FRTNFQHMBAOYRV-UHFFFAOYSA-N 2 1 387.532 0.409 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ccnc(N3CC[NH+](C)CC3)n1)CC2 ZINC001164689512 719747384 /nfs/dbraw/zinc/74/73/84/719747384.db2.gz FRTNFQHMBAOYRV-UHFFFAOYSA-N 2 1 387.532 0.409 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164744390 720640290 /nfs/dbraw/zinc/64/02/90/720640290.db2.gz RZFPYQWDJCYUPZ-OLZOCXBDSA-N 2 1 387.875 0.908 20 0 GCADMP c1ncc(O[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)cn1 ZINC001164743758 720707196 /nfs/dbraw/zinc/70/71/96/720707196.db2.gz YEVVOGOAQGTIBQ-CVEARBPZSA-N 2 1 382.472 0.018 20 0 GCADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740389 720729505 /nfs/dbraw/zinc/72/95/05/720729505.db2.gz KMELXUMVFLZXPS-SJORKVTESA-N 2 1 396.499 0.536 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164746655 720788869 /nfs/dbraw/zinc/78/88/69/720788869.db2.gz MGAPQWVKNYBJLM-SJORKVTESA-N 2 1 396.499 0.360 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164746655 720788875 /nfs/dbraw/zinc/78/88/75/720788875.db2.gz MGAPQWVKNYBJLM-SJORKVTESA-N 2 1 396.499 0.360 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164855991 720859079 /nfs/dbraw/zinc/85/90/79/720859079.db2.gz NGLJLJLKXYCJOB-IRXDYDNUSA-N 2 1 376.505 0.060 20 0 GCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889764 721422522 /nfs/dbraw/zinc/42/25/22/721422522.db2.gz RJSXLHBTJZHHCE-NQIIRXRSSA-N 2 1 386.544 0.888 20 0 GCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889767 721422628 /nfs/dbraw/zinc/42/26/28/721422628.db2.gz RJSXLHBTJZHHCE-RXVVDRJESA-N 2 1 386.544 0.888 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260616 945420426 /nfs/dbraw/zinc/42/04/26/945420426.db2.gz XMPKYRAXAPOQPF-JKEMJCCQSA-N 2 1 385.447 0.504 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260616 945420429 /nfs/dbraw/zinc/42/04/29/945420429.db2.gz XMPKYRAXAPOQPF-JKEMJCCQSA-N 2 1 385.447 0.504 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260616 945420435 /nfs/dbraw/zinc/42/04/35/945420435.db2.gz XMPKYRAXAPOQPF-JKEMJCCQSA-N 2 1 385.447 0.504 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282700 945858412 /nfs/dbraw/zinc/85/84/12/945858412.db2.gz NXCNATIMBCQGDZ-ZFWWWQNUSA-N 2 1 387.463 0.896 20 0 GCADMP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361051 948128048 /nfs/dbraw/zinc/12/80/48/948128048.db2.gz JLENYBZFZINDFM-KRWDZBQOSA-N 2 1 382.472 0.814 20 0 GCADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263782 949408904 /nfs/dbraw/zinc/40/89/04/949408904.db2.gz JMBPOAWBHXQXSR-JSGCOSHPSA-N 2 1 387.463 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712165 949567888 /nfs/dbraw/zinc/56/78/88/949567888.db2.gz PTYWTJBYPSQJMQ-IUODEOHRSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712164 949568891 /nfs/dbraw/zinc/56/88/91/949568891.db2.gz PTYWTJBYPSQJMQ-DOMZBBRYSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574955771 949574489 /nfs/dbraw/zinc/57/44/89/949574489.db2.gz DYYCFABMLCBKGE-OUCADQQQSA-N 2 1 375.452 0.940 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714055 949617137 /nfs/dbraw/zinc/61/71/37/949617137.db2.gz ZXZLGJLSOWKVJO-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184572 950134928 /nfs/dbraw/zinc/13/49/28/950134928.db2.gz VYEWVQCPYXTNNK-CABCVRRESA-N 2 1 386.504 0.920 20 0 GCADMP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574158726 950285356 /nfs/dbraw/zinc/28/53/56/950285356.db2.gz RGHDNSXGLPSZHX-LSDHHAIUSA-N 2 1 386.504 0.968 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194236 950330407 /nfs/dbraw/zinc/33/04/07/950330407.db2.gz YAKILJGJCBAQFR-RHSMWYFYSA-N 2 1 387.488 0.117 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202592 950434145 /nfs/dbraw/zinc/43/41/45/950434145.db2.gz BPGHEDZCSPEGRO-NFOMZHRRSA-N 2 1 384.488 0.865 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204882 950484928 /nfs/dbraw/zinc/48/49/28/950484928.db2.gz DFZKOAFHOOBPSZ-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205402 950514314 /nfs/dbraw/zinc/51/43/14/950514314.db2.gz INIBTVZLCRHFGM-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208130 950604255 /nfs/dbraw/zinc/60/42/55/950604255.db2.gz NDBSYVBTORCLJH-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208132 950606478 /nfs/dbraw/zinc/60/64/78/950606478.db2.gz NDBSYVBTORCLJH-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208942 950621820 /nfs/dbraw/zinc/62/18/20/950621820.db2.gz VNCWAGJRFJPRKY-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576213520 950630767 /nfs/dbraw/zinc/63/07/67/950630767.db2.gz BPGHEDZCSPEGRO-KKUMJFAQSA-N 2 1 384.488 0.865 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216136 950724026 /nfs/dbraw/zinc/72/40/26/950724026.db2.gz YRJASHDCTMTYCR-WKCGWZECSA-N 2 1 381.484 0.755 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216136 950724039 /nfs/dbraw/zinc/72/40/39/950724039.db2.gz YRJASHDCTMTYCR-WKCGWZECSA-N 2 1 381.484 0.755 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216136 950724057 /nfs/dbraw/zinc/72/40/57/950724057.db2.gz YRJASHDCTMTYCR-WKCGWZECSA-N 2 1 381.484 0.755 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575080714 951713960 /nfs/dbraw/zinc/71/39/60/951713960.db2.gz NDCZKKFJZIAWRB-STQMWFEESA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575094265 951805144 /nfs/dbraw/zinc/80/51/44/951805144.db2.gz MJSPWCZMBBJIGT-OAHLLOKOSA-N 2 1 387.488 0.526 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101248 951856005 /nfs/dbraw/zinc/85/60/05/951856005.db2.gz BGJCAJYCHCHWEL-TZMCWYRMSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575101514 951859347 /nfs/dbraw/zinc/85/93/47/951859347.db2.gz GEOITPWCNZNAOT-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP O=C(N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001571216898 953104813 /nfs/dbraw/zinc/10/48/13/953104813.db2.gz BTTPZVOEUZUKQA-AWEZNQCLSA-N 2 1 382.472 0.975 20 0 GCADMP Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252109 953324105 /nfs/dbraw/zinc/32/41/05/953324105.db2.gz HMKNVOXTMJHTKO-QLFBSQMISA-N 2 1 384.488 0.995 20 0 GCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252704 953331795 /nfs/dbraw/zinc/33/17/95/953331795.db2.gz URFGFTGZKGCJRJ-CABCVRRESA-N 2 1 384.488 0.818 20 0 GCADMP C[NH+](CC(=O)NCCCNC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@@H]1CCSC1 ZINC000583398210 530269868 /nfs/dbraw/zinc/26/98/68/530269868.db2.gz GHWPMCLGZHTXSJ-HUUCEWRRSA-N 2 1 388.603 0.484 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000578168365 530728183 /nfs/dbraw/zinc/72/81/83/530728183.db2.gz RDBBZTCFVVTSJE-OAHLLOKOSA-N 2 1 377.551 0.863 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000578168365 530728186 /nfs/dbraw/zinc/72/81/86/530728186.db2.gz RDBBZTCFVVTSJE-OAHLLOKOSA-N 2 1 377.551 0.863 20 0 GCADMP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000642640531 530923463 /nfs/dbraw/zinc/92/34/63/530923463.db2.gz VTXMILFZDCLKHE-LBPRGKRZSA-N 2 1 397.317 0.993 20 0 GCADMP CN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000419071010 530954921 /nfs/dbraw/zinc/95/49/21/530954921.db2.gz ICPOEKCSGXORPQ-UHFFFAOYSA-N 2 1 397.317 0.947 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)S(C)(=O)=O ZINC000422632954 531015524 /nfs/dbraw/zinc/01/55/24/531015524.db2.gz HKRIPHYLLUPHEF-OAGGEKHMSA-N 2 1 376.567 0.468 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)S(C)(=O)=O ZINC000422632954 531015529 /nfs/dbraw/zinc/01/55/29/531015529.db2.gz HKRIPHYLLUPHEF-OAGGEKHMSA-N 2 1 376.567 0.468 20 0 GCADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000738450102 598837709 /nfs/dbraw/zinc/83/77/09/598837709.db2.gz OBNVWRRPPLXVSX-ZFWWWQNUSA-N 2 1 387.492 0.338 20 0 GCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736854601 599080379 /nfs/dbraw/zinc/08/03/79/599080379.db2.gz DSLAKVTVNFDRLC-SFHVURJKSA-N 2 1 398.515 0.907 20 0 GCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736854601 599080382 /nfs/dbraw/zinc/08/03/82/599080382.db2.gz DSLAKVTVNFDRLC-SFHVURJKSA-N 2 1 398.515 0.907 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736150271 598348958 /nfs/dbraw/zinc/34/89/58/598348958.db2.gz ZJGMTCMJMNLPHO-AWEZNQCLSA-N 2 1 387.488 0.830 20 0 GCADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736144108 598366003 /nfs/dbraw/zinc/36/60/03/598366003.db2.gz NJHMIEVCTKYBIK-CQSZACIVSA-N 2 1 387.488 0.972 20 0 GCADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736144108 598366005 /nfs/dbraw/zinc/36/60/05/598366005.db2.gz NJHMIEVCTKYBIK-CQSZACIVSA-N 2 1 387.488 0.972 20 0 GCADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]CC1([NH+]3CCCC3)CCOCC1)C2 ZINC000738449036 598531736 /nfs/dbraw/zinc/53/17/36/598531736.db2.gz DBOPKNDXTDXKAG-AWEZNQCLSA-N 2 1 387.492 0.340 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737742847 599489437 /nfs/dbraw/zinc/48/94/37/599489437.db2.gz HKQUBTBZFQMAAD-ZDUSSCGKSA-N 2 1 383.460 0.191 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737742847 599489440 /nfs/dbraw/zinc/48/94/40/599489440.db2.gz HKQUBTBZFQMAAD-ZDUSSCGKSA-N 2 1 383.460 0.191 20 0 GCADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824301192 609498704 /nfs/dbraw/zinc/49/87/04/609498704.db2.gz SHAOJDHEUZMVPS-CQSZACIVSA-N 2 1 388.432 0.413 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824301192 609498705 /nfs/dbraw/zinc/49/87/05/609498705.db2.gz SHAOJDHEUZMVPS-CQSZACIVSA-N 2 1 388.432 0.413 20 0 GCADMP C[NH+](CCCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000247053492 642062465 /nfs/dbraw/zinc/06/24/65/642062465.db2.gz FJCMVBBIXSEQKG-HOTGVXAUSA-N 2 1 380.576 0.785 20 0 GCADMP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843362582 642368296 /nfs/dbraw/zinc/36/82/96/642368296.db2.gz KHZVJCRUTMFSRQ-HOTGVXAUSA-N 2 1 375.535 0.018 20 0 GCADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843362582 642368298 /nfs/dbraw/zinc/36/82/98/642368298.db2.gz KHZVJCRUTMFSRQ-HOTGVXAUSA-N 2 1 375.535 0.018 20 0 GCADMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCn1cc(Br)ccc1=O ZINC000849113521 642624126 /nfs/dbraw/zinc/62/41/26/642624126.db2.gz QKELQLUDLDVLSN-UHFFFAOYSA-N 2 1 386.294 0.447 20 0 GCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)C[C@H]2C1 ZINC000893494572 1192166527 /nfs/dbraw/zinc/16/65/27/1192166527.db2.gz PCYOVWSXHYJSNR-CALCHBBNSA-N 2 1 379.549 0.816 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662965018 1192172041 /nfs/dbraw/zinc/17/20/41/1192172041.db2.gz BVLUKAIJIPSKLD-XUVXKRRUSA-N 2 1 384.524 0.972 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662973341 1192175000 /nfs/dbraw/zinc/17/50/00/1192175000.db2.gz VZTDVPUDFQBOOT-UGKGYDQZSA-N 2 1 384.524 0.974 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018134 1192186085 /nfs/dbraw/zinc/18/60/85/1192186085.db2.gz ORSWYKTWVKVBRW-NVXWUHKLSA-N 2 1 376.505 0.246 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018134 1192186088 /nfs/dbraw/zinc/18/60/88/1192186088.db2.gz ORSWYKTWVKVBRW-NVXWUHKLSA-N 2 1 376.505 0.246 20 0 GCADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017169 1192186113 /nfs/dbraw/zinc/18/61/13/1192186113.db2.gz IRNKGYGXBPPQMU-HUUCEWRRSA-N 2 1 398.515 0.639 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345340 1192197642 /nfs/dbraw/zinc/19/76/42/1192197642.db2.gz AIJXDRGWPSEEIH-JJRVBVJISA-N 2 1 396.513 0.491 20 0 GCADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(=O)N1CCCCC1 ZINC000652347718 1192198786 /nfs/dbraw/zinc/19/87/86/1192198786.db2.gz KAOWERTXBFDBMF-FJIDUMEYSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000663085043 1192207933 /nfs/dbraw/zinc/20/79/33/1192207933.db2.gz HBXVFZQEJSRDPM-CXAGYDPISA-N 2 1 396.463 0.540 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000663085043 1192207937 /nfs/dbraw/zinc/20/79/37/1192207937.db2.gz HBXVFZQEJSRDPM-CXAGYDPISA-N 2 1 396.463 0.540 20 0 GCADMP CN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000652497887 1192234168 /nfs/dbraw/zinc/23/41/68/1192234168.db2.gz OSJULRDZLTWSGG-KURKYZTESA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000652497887 1192234171 /nfs/dbraw/zinc/23/41/71/1192234171.db2.gz OSJULRDZLTWSGG-KURKYZTESA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000652497887 1192234173 /nfs/dbraw/zinc/23/41/73/1192234173.db2.gz OSJULRDZLTWSGG-KURKYZTESA-N 2 1 379.549 0.214 20 0 GCADMP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(-n3nnc(CC[NH3+])n3)c2c1C ZINC001167791173 1192257142 /nfs/dbraw/zinc/25/71/42/1192257142.db2.gz VKOIRIAJHJZNGV-UHFFFAOYSA-N 2 1 390.473 0.715 20 0 GCADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CCC[NH3+] ZINC000662313418 1192282742 /nfs/dbraw/zinc/28/27/42/1192282742.db2.gz MZYVYHIBKLMEIT-CRAIPNDOSA-N 2 1 396.557 0.832 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662344508 1192285381 /nfs/dbraw/zinc/28/53/81/1192285381.db2.gz BVDJWEDCXXWDJS-UHFFFAOYSA-N 2 1 376.505 0.968 20 0 GCADMP O=c1cc(C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]c2ccnn21 ZINC000662338769 1192285444 /nfs/dbraw/zinc/28/54/44/1192285444.db2.gz VUFDHPCQEHYMAT-CQSZACIVSA-N 2 1 382.472 0.535 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662528104 1192311925 /nfs/dbraw/zinc/31/19/25/1192311925.db2.gz VEHGZWODCQNPRK-CALCHBBNSA-N 2 1 389.548 0.833 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636837542 1192326146 /nfs/dbraw/zinc/32/61/46/1192326146.db2.gz LMFCHZDJKDCJQC-HKUYNNGSSA-N 2 1 375.517 0.563 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000636837542 1192326152 /nfs/dbraw/zinc/32/61/52/1192326152.db2.gz LMFCHZDJKDCJQC-HKUYNNGSSA-N 2 1 375.517 0.563 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561620 1192389706 /nfs/dbraw/zinc/38/97/06/1192389706.db2.gz UPNKVKILQBCSCV-OALUTQOASA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC000663561620 1192389709 /nfs/dbraw/zinc/38/97/09/1192389709.db2.gz UPNKVKILQBCSCV-OALUTQOASA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000585716555 1192396520 /nfs/dbraw/zinc/39/65/20/1192396520.db2.gz IBTJTQLIHSMFCR-RBUKOAKNSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247419354 1192408696 /nfs/dbraw/zinc/40/86/96/1192408696.db2.gz NVHQRIGDVSYAAN-TVFCKZIOSA-N 2 1 382.549 0.600 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000247419354 1192408698 /nfs/dbraw/zinc/40/86/98/1192408698.db2.gz NVHQRIGDVSYAAN-TVFCKZIOSA-N 2 1 382.549 0.600 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000247419354 1192408700 /nfs/dbraw/zinc/40/87/00/1192408700.db2.gz NVHQRIGDVSYAAN-TVFCKZIOSA-N 2 1 382.549 0.600 20 0 GCADMP C[C@]1(NC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000663613005 1192417732 /nfs/dbraw/zinc/41/77/32/1192417732.db2.gz OACVAYNAFSZNJG-NRFANRHFSA-N 2 1 399.495 0.780 20 0 GCADMP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652673291 1192430574 /nfs/dbraw/zinc/43/05/74/1192430574.db2.gz KGXCYTLBGBCYIA-YYIAUSFCSA-N 2 1 382.549 0.681 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)NCCC3CC[NH2+]CC3)CC2)nc(C)[nH+]1 ZINC000652673926 1192448351 /nfs/dbraw/zinc/44/83/51/1192448351.db2.gz FAIBZHYVNPNIAG-UHFFFAOYSA-N 2 1 388.516 0.684 20 0 GCADMP C[C@H](NC(=O)COCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000512136147 1192468635 /nfs/dbraw/zinc/46/86/35/1192468635.db2.gz BYQZKZZEFLMCOG-HOTGVXAUSA-N 2 1 378.517 0.536 20 0 GCADMP C[NH+](C)CCCOC1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000637376198 1192518822 /nfs/dbraw/zinc/51/88/22/1192518822.db2.gz FLNHEJBDXLYCIL-KRWDZBQOSA-N 2 1 383.537 0.469 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000187308271 1192523051 /nfs/dbraw/zinc/52/30/51/1192523051.db2.gz LHBBIJZSQUJDHE-ROUUACIJSA-N 2 1 383.581 0.745 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000187307950 1192523365 /nfs/dbraw/zinc/52/33/65/1192523365.db2.gz UQNXWLRTXUXSSJ-MSOLQXFVSA-N 2 1 383.581 0.745 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000509735677 1192530812 /nfs/dbraw/zinc/53/08/12/1192530812.db2.gz GDMMVFVYGFKGQB-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735677 1192530815 /nfs/dbraw/zinc/53/08/15/1192530815.db2.gz GDMMVFVYGFKGQB-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000509735677 1192530817 /nfs/dbraw/zinc/53/08/17/1192530817.db2.gz GDMMVFVYGFKGQB-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000512240282 1192568302 /nfs/dbraw/zinc/56/83/02/1192568302.db2.gz HRHMKLZUZMIPIB-KRWDZBQOSA-N 2 1 397.564 0.513 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000187413489 1192588358 /nfs/dbraw/zinc/58/83/58/1192588358.db2.gz VUFGFVYPAFWBBW-GOSISDBHSA-N 2 1 383.581 0.891 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000187413489 1192588361 /nfs/dbraw/zinc/58/83/61/1192588361.db2.gz VUFGFVYPAFWBBW-GOSISDBHSA-N 2 1 383.581 0.891 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000187413489 1192588367 /nfs/dbraw/zinc/58/83/67/1192588367.db2.gz VUFGFVYPAFWBBW-GOSISDBHSA-N 2 1 383.581 0.891 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000187413134 1192588972 /nfs/dbraw/zinc/58/89/72/1192588972.db2.gz VWVLQVCGOQACFV-GOSISDBHSA-N 2 1 383.581 0.891 20 0 GCADMP COCC1(CNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000418649016 1192623668 /nfs/dbraw/zinc/62/36/68/1192623668.db2.gz UOLNYEYKULPYLI-LJQANCHMSA-N 2 1 390.528 0.721 20 0 GCADMP COC[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCC[NH2+]1 ZINC000418657599 1192624960 /nfs/dbraw/zinc/62/49/60/1192624960.db2.gz RIEBKKCUQXSRIH-QKNQBKEWSA-N 2 1 390.528 0.937 20 0 GCADMP COC[C@]1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCC[NH2+]1 ZINC000418657604 1192625010 /nfs/dbraw/zinc/62/50/10/1192625010.db2.gz RIEBKKCUQXSRIH-SVFBPWRDSA-N 2 1 390.528 0.937 20 0 GCADMP [NH3+]CCC[C@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000418674540 1192628281 /nfs/dbraw/zinc/62/82/81/1192628281.db2.gz OVDVEUHFIVMPMB-KRWDZBQOSA-N 2 1 395.529 0.095 20 0 GCADMP C[C@@](O)(CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C[NH+]1CCOCC1 ZINC000418798476 1192648586 /nfs/dbraw/zinc/64/85/86/1192648586.db2.gz SRVMFPSBICVFEF-KAPMFFAGSA-N 2 1 380.533 0.522 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418826711 1192657685 /nfs/dbraw/zinc/65/76/85/1192657685.db2.gz GJOQDUHHPQDGNK-IRXDYDNUSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1C[NH3+] ZINC000418830749 1192659381 /nfs/dbraw/zinc/65/93/81/1192659381.db2.gz JZGVWEZLXDCFKG-DLBZAZTESA-N 2 1 380.533 0.724 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418832382 1192660045 /nfs/dbraw/zinc/66/00/45/1192660045.db2.gz HDMLFDWCUOIOTF-INMHGKMJSA-N 2 1 376.501 0.918 20 0 GCADMP CC1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]CC1 ZINC000418839864 1192662193 /nfs/dbraw/zinc/66/21/93/1192662193.db2.gz XDLRMIGQHCQIDA-UHFFFAOYSA-N 2 1 380.533 0.644 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)oc1C ZINC000418851928 1192665514 /nfs/dbraw/zinc/66/55/14/1192665514.db2.gz GIGRSCLLZWGTHZ-KGLIPLIRSA-N 2 1 391.516 0.828 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418854766 1192666862 /nfs/dbraw/zinc/66/68/62/1192666862.db2.gz UCNYGVSIGCHRJU-DOTOQJQBSA-N 2 1 376.501 0.872 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000418857129 1192668719 /nfs/dbraw/zinc/66/87/19/1192668719.db2.gz YIZMMGTZOLTKDZ-UXLLHSPISA-N 2 1 376.501 0.857 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418857131 1192668889 /nfs/dbraw/zinc/66/88/89/1192668889.db2.gz YIZMMGTZOLTKDZ-ZOBUZTSGSA-N 2 1 376.501 0.857 20 0 GCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418857163 1192669027 /nfs/dbraw/zinc/66/90/27/1192669027.db2.gz YMQUVAOYMKFIAP-YOEHRIQHSA-N 2 1 396.919 0.944 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000418880945 1192677710 /nfs/dbraw/zinc/67/77/10/1192677710.db2.gz QDUCQWCOBVPDRZ-MOPGFXCFSA-N 2 1 388.512 0.503 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418882779 1192678778 /nfs/dbraw/zinc/67/87/78/1192678778.db2.gz UFEWYGBWJHFCLX-KRWDZBQOSA-N 2 1 376.501 0.503 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418878722 1192674725 /nfs/dbraw/zinc/67/47/25/1192674725.db2.gz MAODHKJUDBXURG-RBUKOAKNSA-N 2 1 390.528 0.701 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@@H]1C[NH3+] ZINC000418877802 1192676097 /nfs/dbraw/zinc/67/60/97/1192676097.db2.gz KJNYNXIUWGHEKY-AYOQOUSVSA-N 2 1 388.512 0.313 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418927319 1192693378 /nfs/dbraw/zinc/69/33/78/1192693378.db2.gz SOQCTASYYQTXTP-MSOLQXFVSA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418932394 1192694748 /nfs/dbraw/zinc/69/47/48/1192694748.db2.gz ZCWNXDMESKSDBK-SFHVURJKSA-N 2 1 382.549 0.888 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000418913422 1192690250 /nfs/dbraw/zinc/69/02/50/1192690250.db2.gz DYBDQGBYNPXXCG-LJQANCHMSA-N 2 1 390.528 0.837 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963744 1192703837 /nfs/dbraw/zinc/70/38/37/1192703837.db2.gz MLNNYNDSTCMGAJ-HZPDHXFCSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963744 1192703845 /nfs/dbraw/zinc/70/38/45/1192703845.db2.gz MLNNYNDSTCMGAJ-HZPDHXFCSA-N 2 1 390.484 0.263 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960313 1192705626 /nfs/dbraw/zinc/70/56/26/1192705626.db2.gz INBONXWSAFHXBL-ZBFHGGJFSA-N 2 1 392.500 0.366 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960313 1192705629 /nfs/dbraw/zinc/70/56/29/1192705629.db2.gz INBONXWSAFHXBL-ZBFHGGJFSA-N 2 1 392.500 0.366 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971550 1192706376 /nfs/dbraw/zinc/70/63/76/1192706376.db2.gz YCDNQCKRPDNGEJ-HOTGVXAUSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971550 1192706378 /nfs/dbraw/zinc/70/63/78/1192706378.db2.gz YCDNQCKRPDNGEJ-HOTGVXAUSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968049 1192705664 /nfs/dbraw/zinc/70/56/64/1192705664.db2.gz TWXXTJAAAHNZLK-QAPCUYQASA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968049 1192705665 /nfs/dbraw/zinc/70/56/65/1192705665.db2.gz TWXXTJAAAHNZLK-QAPCUYQASA-N 2 1 390.484 0.248 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996791 1192712177 /nfs/dbraw/zinc/71/21/77/1192712177.db2.gz KOAUFIUMCOQRRR-WBVHZDCISA-N 2 1 376.501 0.854 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419010965 1192717312 /nfs/dbraw/zinc/71/73/12/1192717312.db2.gz ZJAAZQDYWWVIEV-MSOLQXFVSA-N 2 1 376.501 0.589 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419020417 1192722201 /nfs/dbraw/zinc/72/22/01/1192722201.db2.gz FSRXAIGBVHUXRO-HLLBOEOZSA-N 2 1 391.520 0.137 20 0 GCADMP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000410584212 1192729304 /nfs/dbraw/zinc/72/93/04/1192729304.db2.gz LEBZTGCDWBWWCE-SCTDSRPQSA-N 2 1 391.560 0.308 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419026764 1192728526 /nfs/dbraw/zinc/72/85/26/1192728526.db2.gz NSCOFKDJQNKPDA-KCITZHQASA-N 2 1 394.560 0.968 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000419040502 1192737387 /nfs/dbraw/zinc/73/73/87/1192737387.db2.gz MPSRPPOMQHIBBO-XWTMOSNGSA-N 2 1 380.533 0.593 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[C@H](C)C1 ZINC000419045611 1192740131 /nfs/dbraw/zinc/74/01/31/1192740131.db2.gz WRJOLNXSRPYDND-XWTMOSNGSA-N 2 1 382.549 0.825 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)nc(C)[nH+]1 ZINC000419045581 1192741951 /nfs/dbraw/zinc/74/19/51/1192741951.db2.gz WOVQPRNEVCOKMY-BBRMVZONSA-N 2 1 388.516 0.622 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419044847 1192742331 /nfs/dbraw/zinc/74/23/31/1192742331.db2.gz MNKJGHDUANZYAU-WZGPROSRSA-N 2 1 388.512 0.903 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419054133 1192747849 /nfs/dbraw/zinc/74/78/49/1192747849.db2.gz GYBZHVUPKHXXNV-CGTJXYLNSA-N 2 1 376.501 0.445 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@@H](C)O1 ZINC000419057550 1192755099 /nfs/dbraw/zinc/75/50/99/1192755099.db2.gz AMAPYTOBVZBBMM-HUUCEWRRSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c2)CCO1 ZINC000419066495 1192759734 /nfs/dbraw/zinc/75/97/34/1192759734.db2.gz FDDSYNBQSICVCT-MRXNPFEDSA-N 2 1 390.528 0.967 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c2)CCO1 ZINC000419066495 1192759736 /nfs/dbraw/zinc/75/97/36/1192759736.db2.gz FDDSYNBQSICVCT-MRXNPFEDSA-N 2 1 390.528 0.967 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000419065145 1192760737 /nfs/dbraw/zinc/76/07/37/1192760737.db2.gz ZARSPEMGPWTLFO-BHIYHBOVSA-N 2 1 388.512 0.460 20 0 GCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000419067203 1192762771 /nfs/dbraw/zinc/76/27/71/1192762771.db2.gz FZTXCKDPZUEHFK-OAHLLOKOSA-N 2 1 393.919 0.528 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CCO1 ZINC000419069900 1192767320 /nfs/dbraw/zinc/76/73/20/1192767320.db2.gz JLSJRBBMVJDVHE-IPELMVKDSA-N 2 1 386.496 0.344 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CCO1 ZINC000419069900 1192767323 /nfs/dbraw/zinc/76/73/23/1192767323.db2.gz JLSJRBBMVJDVHE-IPELMVKDSA-N 2 1 386.496 0.344 20 0 GCADMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1CCOC ZINC000500772219 1192776051 /nfs/dbraw/zinc/77/60/51/1192776051.db2.gz PMYZWOFHNHFOKL-GOSISDBHSA-N 2 1 397.564 0.681 20 0 GCADMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1CCOC ZINC000500772219 1192776054 /nfs/dbraw/zinc/77/60/54/1192776054.db2.gz PMYZWOFHNHFOKL-GOSISDBHSA-N 2 1 397.564 0.681 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)c2)CCO1 ZINC000419079001 1192776449 /nfs/dbraw/zinc/77/64/49/1192776449.db2.gz UAXABSLPEUBEPD-INIZCTEOSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)c2)CCO1 ZINC000419079001 1192776452 /nfs/dbraw/zinc/77/64/52/1192776452.db2.gz UAXABSLPEUBEPD-INIZCTEOSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@@H](C)O1 ZINC000419086641 1192784602 /nfs/dbraw/zinc/78/46/02/1192784602.db2.gz OGYWWEZEAJAICK-HZPDHXFCSA-N 2 1 394.560 0.981 20 0 GCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100303 1192785882 /nfs/dbraw/zinc/78/58/82/1192785882.db2.gz PSSYUZBMNQLSCT-GJZGRUSLSA-N 2 1 384.402 0.956 20 0 GCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100303 1192785887 /nfs/dbraw/zinc/78/58/87/1192785887.db2.gz PSSYUZBMNQLSCT-GJZGRUSLSA-N 2 1 384.402 0.956 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419095316 1192788317 /nfs/dbraw/zinc/78/83/17/1192788317.db2.gz KNVCFRWRLMMGGG-LSDHHAIUSA-N 2 1 384.402 0.874 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419095316 1192788320 /nfs/dbraw/zinc/78/83/20/1192788320.db2.gz KNVCFRWRLMMGGG-LSDHHAIUSA-N 2 1 384.402 0.874 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109647 1192790970 /nfs/dbraw/zinc/79/09/70/1192790970.db2.gz BEJBBXCAXKDBJN-BZSNNMDCSA-N 2 1 382.549 0.873 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419125021 1192796839 /nfs/dbraw/zinc/79/68/39/1192796839.db2.gz YNSTXIXUTPWRGQ-SQNIBIBYSA-N 2 1 380.533 0.593 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419116835 1192802093 /nfs/dbraw/zinc/80/20/93/1192802093.db2.gz LNQBYVHKCDUJML-JQHSSLGASA-N 2 1 382.549 0.683 20 0 GCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132081 1192806531 /nfs/dbraw/zinc/80/65/31/1192806531.db2.gz AUTIEKPNBYHNJJ-RXVVDRJESA-N 2 1 388.512 0.591 20 0 GCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132932 1192807225 /nfs/dbraw/zinc/80/72/25/1192807225.db2.gz CECWFXRHCWQBLJ-IBGZPJMESA-N 2 1 388.512 0.652 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419148734 1192809815 /nfs/dbraw/zinc/80/98/15/1192809815.db2.gz KKUKAGHXFKXMPJ-INIZCTEOSA-N 2 1 393.557 0.098 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000419154273 1192811891 /nfs/dbraw/zinc/81/18/91/1192811891.db2.gz RBGONPCHVJEBIB-GJZGRUSLSA-N 2 1 380.514 0.262 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000432852223 1192814553 /nfs/dbraw/zinc/81/45/53/1192814553.db2.gz QNXHBOPXYOMFNA-GOSISDBHSA-N 2 1 394.541 0.675 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419160464 1192818100 /nfs/dbraw/zinc/81/81/00/1192818100.db2.gz HLIMUYVLDOZFAB-QZTJIDSGSA-N 2 1 376.501 0.445 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419160465 1192818544 /nfs/dbraw/zinc/81/85/44/1192818544.db2.gz HLIMUYVLDOZFAB-ROUUACIJSA-N 2 1 376.501 0.445 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164366 1192821343 /nfs/dbraw/zinc/82/13/43/1192821343.db2.gz LSYDIEKNNPVGNO-UHOSZYNNSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164370 1192821984 /nfs/dbraw/zinc/82/19/84/1192821984.db2.gz LSYDIEKNNPVGNO-YTQUADARSA-N 2 1 388.512 0.589 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419166115 1192822094 /nfs/dbraw/zinc/82/20/94/1192822094.db2.gz OJSVJJJAJWLDLL-RTBURBONSA-N 2 1 388.512 0.510 20 0 GCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419171176 1192825559 /nfs/dbraw/zinc/82/55/59/1192825559.db2.gz XEIDPIWNIIXEPS-IBGZPJMESA-N 2 1 388.512 0.591 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](C)C[NH2+]1 ZINC000419172328 1192825838 /nfs/dbraw/zinc/82/58/38/1192825838.db2.gz YXUMGLOSRFJFJF-ZIFCJYIRSA-N 2 1 388.512 0.603 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172289 1192825985 /nfs/dbraw/zinc/82/59/85/1192825985.db2.gz YWVNAYOBWTZETP-OALUTQOASA-N 2 1 390.528 0.883 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419176132 1192827679 /nfs/dbraw/zinc/82/76/79/1192827679.db2.gz YSMMPVHIGFRMCM-SJORKVTESA-N 2 1 395.548 0.069 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419176130 1192828204 /nfs/dbraw/zinc/82/82/04/1192828204.db2.gz YSMMPVHIGFRMCM-IAGOWNOFSA-N 2 1 395.548 0.069 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169456 1192829023 /nfs/dbraw/zinc/82/90/23/1192829023.db2.gz UVNHVWKDQZZPEJ-GOSISDBHSA-N 2 1 388.512 0.604 20 0 GCADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000419178169 1192829414 /nfs/dbraw/zinc/82/94/14/1192829414.db2.gz SWVHVQPFSFZRRL-RTBURBONSA-N 2 1 399.495 0.968 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[C@@H]1[NH3+] ZINC000419168356 1192829533 /nfs/dbraw/zinc/82/95/33/1192829533.db2.gz RSQAKNYAORHXGB-NEWSRXKRSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419185467 1192835179 /nfs/dbraw/zinc/83/51/79/1192835179.db2.gz DKCNCXKVILWWNT-WMZOPIPTSA-N 2 1 376.501 0.508 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000419196845 1192836891 /nfs/dbraw/zinc/83/68/91/1192836891.db2.gz BDFBUQBEWHYHJW-MJBXVCDLSA-N 2 1 378.439 0.963 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000419196845 1192836893 /nfs/dbraw/zinc/83/68/93/1192836893.db2.gz BDFBUQBEWHYHJW-MJBXVCDLSA-N 2 1 378.439 0.963 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419198328 1192837107 /nfs/dbraw/zinc/83/71/07/1192837107.db2.gz CDRNZYJUGUASHA-OAGGEKHMSA-N 2 1 376.501 0.623 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419198854 1192838481 /nfs/dbraw/zinc/83/84/81/1192838481.db2.gz CXXMLZLLEVZSCQ-VQIMIIECSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C[C@H](C)O1 ZINC000419199030 1192838604 /nfs/dbraw/zinc/83/86/04/1192838604.db2.gz DJMORSQANGPBNR-GASCZTMLSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205570 1192851701 /nfs/dbraw/zinc/85/17/01/1192851701.db2.gz JGUMATPUNZCJSF-CGTJXYLNSA-N 2 1 388.512 0.996 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419204774 1192857594 /nfs/dbraw/zinc/85/75/94/1192857594.db2.gz JDVDLUCXTKVTPF-LPHOPBHVSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)C1 ZINC000419204784 1192857716 /nfs/dbraw/zinc/85/77/16/1192857716.db2.gz JEYJDGBMIGLSGY-APWZRJJASA-N 2 1 388.512 0.721 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000893825233 1192863953 /nfs/dbraw/zinc/86/39/53/1192863953.db2.gz CUTLZNVEKVCWEQ-HUUCEWRRSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000893873873 1192870475 /nfs/dbraw/zinc/87/04/75/1192870475.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP CC[NH+]1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000893873873 1192870481 /nfs/dbraw/zinc/87/04/81/1192870481.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP CC[NH+]1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000893873873 1192870489 /nfs/dbraw/zinc/87/04/89/1192870489.db2.gz RNARCXDRFXQTEK-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)ccn1 ZINC000893914303 1192875852 /nfs/dbraw/zinc/87/58/52/1192875852.db2.gz NJAMWYUPKLVMKR-MSOLQXFVSA-N 2 1 391.516 0.763 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1C1CC[NH+](C)CC1 ZINC000410727994 1192880340 /nfs/dbraw/zinc/88/03/40/1192880340.db2.gz CXAWVUQYZXUFPW-SCTDSRPQSA-N 2 1 391.560 0.308 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000419210403 1192889721 /nfs/dbraw/zinc/88/97/21/1192889721.db2.gz QPUULSXPPUPOHL-HZSPNIEDSA-N 2 1 378.439 0.881 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000419210403 1192889725 /nfs/dbraw/zinc/88/97/25/1192889725.db2.gz QPUULSXPPUPOHL-HZSPNIEDSA-N 2 1 378.439 0.881 20 0 GCADMP COc1ccc(COC[C@H](O)CN2CCN(C(=O)CN(C)C)CC2)cc1OC ZINC000051760438 1192908143 /nfs/dbraw/zinc/90/81/43/1192908143.db2.gz MEMZKSRBWASICE-QGZVFWFLSA-N 2 1 395.500 0.287 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000410831991 1192908153 /nfs/dbraw/zinc/90/81/53/1192908153.db2.gz BCEJMIPXWBCSEB-UHFFFAOYSA-N 2 1 382.549 0.746 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@@H+]1CCOC ZINC000410922061 1192915618 /nfs/dbraw/zinc/91/56/18/1192915618.db2.gz BCYUJIKOEQFFMQ-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC[N@H+]1CCOC ZINC000410922061 1192915619 /nfs/dbraw/zinc/91/56/19/1192915619.db2.gz BCYUJIKOEQFFMQ-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH+]1CCOC ZINC000410922061 1192915621 /nfs/dbraw/zinc/91/56/21/1192915621.db2.gz BCYUJIKOEQFFMQ-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC[NH+]1CCOC ZINC000410922061 1192915623 /nfs/dbraw/zinc/91/56/23/1192915623.db2.gz BCYUJIKOEQFFMQ-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C[C@@H]1CC ZINC000410971877 1192921141 /nfs/dbraw/zinc/92/11/41/1192921141.db2.gz HIEUVSNJTNUAAY-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C[C@@H]1CC ZINC000410971877 1192921143 /nfs/dbraw/zinc/92/11/43/1192921143.db2.gz HIEUVSNJTNUAAY-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)C[C@@H]1CC ZINC000410971877 1192921144 /nfs/dbraw/zinc/92/11/44/1192921144.db2.gz HIEUVSNJTNUAAY-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)C[C@@H]1CC ZINC000410971877 1192921146 /nfs/dbraw/zinc/92/11/46/1192921146.db2.gz HIEUVSNJTNUAAY-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000274557696 1184099376 /nfs/dbraw/zinc/09/93/76/1184099376.db2.gz ZICONMXFFSWJGY-MRXNPFEDSA-N 2 1 397.545 0.478 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000274635425 1184132495 /nfs/dbraw/zinc/13/24/95/1184132495.db2.gz JAMQPFXIVXNEEJ-UHFFFAOYSA-N 2 1 391.560 0.938 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@H+](CC)CCO)cc2)CC1 ZINC000274635425 1184132501 /nfs/dbraw/zinc/13/25/01/1184132501.db2.gz JAMQPFXIVXNEEJ-UHFFFAOYSA-N 2 1 391.560 0.938 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCC[N@@H+](CC)CCO)cc2)CC1 ZINC000274635425 1184132506 /nfs/dbraw/zinc/13/25/06/1184132506.db2.gz JAMQPFXIVXNEEJ-UHFFFAOYSA-N 2 1 391.560 0.938 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)C[C@@H]1[NH3+] ZINC000643543060 1184137887 /nfs/dbraw/zinc/13/78/87/1184137887.db2.gz NZVVFBIXRDYQJQ-XGXHKWSGSA-N 2 1 393.576 0.588 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3ccn4c[nH+]cc4c3)[C@@H](O)C2)CC[N@H+]1C ZINC000969223658 1184207861 /nfs/dbraw/zinc/20/78/61/1184207861.db2.gz MSDCRYJNDUXQFO-MLHJIOFPSA-N 2 1 385.468 0.366 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000579813122 1184239436 /nfs/dbraw/zinc/23/94/36/1184239436.db2.gz NZFYOWDSLQBRRW-GOSISDBHSA-N 2 1 394.951 0.665 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418967047 1184274971 /nfs/dbraw/zinc/27/49/71/1184274971.db2.gz RHVHIQIEHOGQGY-OAHLLOKOSA-N 2 1 378.473 0.072 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418967047 1184274975 /nfs/dbraw/zinc/27/49/75/1184274975.db2.gz RHVHIQIEHOGQGY-OAHLLOKOSA-N 2 1 378.473 0.072 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@@H](O)C2)CC[N@H+]1C ZINC000969511768 1184332996 /nfs/dbraw/zinc/33/29/96/1184332996.db2.gz BABRAXQYGDNFRH-HZMVEIRTSA-N 2 1 380.533 0.279 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2C1 ZINC000579854433 1184341395 /nfs/dbraw/zinc/34/13/95/1184341395.db2.gz YXCGCTYBCOOBEJ-GDBMZVCRSA-N 2 1 385.468 0.121 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000579866795 1184408256 /nfs/dbraw/zinc/40/82/56/1184408256.db2.gz HMPFONSSINYFMB-FUHWJXTLSA-N 2 1 390.528 0.885 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000275457597 1184675226 /nfs/dbraw/zinc/67/52/26/1184675226.db2.gz URWZERHCHDIUPQ-QGZVFWFLSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275466458 1184679707 /nfs/dbraw/zinc/67/97/07/1184679707.db2.gz AEFZTMMQFWSSPZ-KRWDZBQOSA-N 2 1 389.544 0.871 20 0 GCADMP C[C@@](O)(CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647847 1184717409 /nfs/dbraw/zinc/71/74/09/1184717409.db2.gz HYQTVIAUKWKIMP-AZUAARDMSA-N 2 1 376.501 0.493 20 0 GCADMP C[C@@](O)(CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647847 1184717414 /nfs/dbraw/zinc/71/74/14/1184717414.db2.gz HYQTVIAUKWKIMP-AZUAARDMSA-N 2 1 376.501 0.493 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729080 1184753277 /nfs/dbraw/zinc/75/32/77/1184753277.db2.gz BKTNGXDSOKNSGC-ISARSNTHSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCO1 ZINC000642729079 1184753415 /nfs/dbraw/zinc/75/34/15/1184753415.db2.gz BKTNGXDSOKNSGC-DKKFBQAASA-N 2 1 388.512 0.588 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000627418734 1184759273 /nfs/dbraw/zinc/75/92/73/1184759273.db2.gz ANCKDBHXNJTRAS-LJQANCHMSA-N 2 1 390.528 0.708 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000627418734 1184759277 /nfs/dbraw/zinc/75/92/77/1184759277.db2.gz ANCKDBHXNJTRAS-LJQANCHMSA-N 2 1 390.528 0.708 20 0 GCADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730824 1184789960 /nfs/dbraw/zinc/78/99/60/1184789960.db2.gz UFNUMUPUYCLCCC-RTBURBONSA-N 2 1 380.533 0.153 20 0 GCADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c2ccccc2)CC1 ZINC000579956551 1184824321 /nfs/dbraw/zinc/82/43/21/1184824321.db2.gz LYVWHBCGQFLYPH-WOJBJXKFSA-N 2 1 397.527 0.889 20 0 GCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CCN(C(C)=O)CC2)c1 ZINC000275638411 1184847558 /nfs/dbraw/zinc/84/75/58/1184847558.db2.gz LLKMABVCFNGIHX-UHFFFAOYSA-N 2 1 389.500 0.357 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000579996609 1184896088 /nfs/dbraw/zinc/89/60/88/1184896088.db2.gz FBNFITLDXVRAOV-UKBAYJJMSA-N 2 1 394.560 0.717 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971125 1184907274 /nfs/dbraw/zinc/90/72/74/1184907274.db2.gz SXOYLUXNRMXEHQ-PNBKFKSVSA-N 2 1 379.509 0.581 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971125 1184907277 /nfs/dbraw/zinc/90/72/77/1184907277.db2.gz SXOYLUXNRMXEHQ-PNBKFKSVSA-N 2 1 379.509 0.581 20 0 GCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)nn1 ZINC000656029040 1184964648 /nfs/dbraw/zinc/96/46/48/1184964648.db2.gz URYUWVKHDWOGCK-ZACQAIPSSA-N 2 1 389.504 0.033 20 0 GCADMP C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580053814 1185036874 /nfs/dbraw/zinc/03/68/74/1185036874.db2.gz URYFDTFPABACFS-UHOSZYNNSA-N 2 1 375.517 0.560 20 0 GCADMP C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580053814 1185036883 /nfs/dbraw/zinc/03/68/83/1185036883.db2.gz URYFDTFPABACFS-UHOSZYNNSA-N 2 1 375.517 0.560 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000580165457 1185098458 /nfs/dbraw/zinc/09/84/58/1185098458.db2.gz OMJQJXXRSVVKOM-SFHVURJKSA-N 2 1 378.517 0.396 20 0 GCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000580292940 1185142010 /nfs/dbraw/zinc/14/20/10/1185142010.db2.gz KDYPBBOFKZNWCL-GOSISDBHSA-N 2 1 379.549 0.166 20 0 GCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000580324466 1185163646 /nfs/dbraw/zinc/16/36/46/1185163646.db2.gz UONFKQJCGJOFTL-GJZGRUSLSA-N 2 1 378.439 0.582 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000580491334 1185251722 /nfs/dbraw/zinc/25/17/22/1185251722.db2.gz JWRVTBUUNILOTQ-ROUUACIJSA-N 2 1 382.549 0.717 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580741140 1185325736 /nfs/dbraw/zinc/32/57/36/1185325736.db2.gz LIDAIIXXBFWSKX-LPHOPBHVSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000580741140 1185325745 /nfs/dbraw/zinc/32/57/45/1185325745.db2.gz LIDAIIXXBFWSKX-LPHOPBHVSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580741140 1185325753 /nfs/dbraw/zinc/32/57/53/1185325753.db2.gz LIDAIIXXBFWSKX-LPHOPBHVSA-N 2 1 392.544 0.831 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656293608 1185352156 /nfs/dbraw/zinc/35/21/56/1185352156.db2.gz KZVOOJZMDNCZDA-QZTJIDSGSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656293608 1185352161 /nfs/dbraw/zinc/35/21/61/1185352161.db2.gz KZVOOJZMDNCZDA-QZTJIDSGSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656293608 1185352167 /nfs/dbraw/zinc/35/21/67/1185352167.db2.gz KZVOOJZMDNCZDA-QZTJIDSGSA-N 2 1 379.549 0.262 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@@H]21 ZINC000580775412 1185354270 /nfs/dbraw/zinc/35/42/70/1185354270.db2.gz VHBJPQZWPFHKOA-XDNAFOTISA-N 2 1 378.517 0.286 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656297009 1185355655 /nfs/dbraw/zinc/35/56/55/1185355655.db2.gz QLYDETCRBKXEBF-OALUTQOASA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656297009 1185355659 /nfs/dbraw/zinc/35/56/59/1185355659.db2.gz QLYDETCRBKXEBF-OALUTQOASA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656297009 1185355666 /nfs/dbraw/zinc/35/56/66/1185355666.db2.gz QLYDETCRBKXEBF-OALUTQOASA-N 2 1 393.576 0.653 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCN(C)CC1 ZINC000656299955 1185365936 /nfs/dbraw/zinc/36/59/36/1185365936.db2.gz FZGUJXYBQONPQO-FGTMMUONSA-N 2 1 379.549 0.119 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656300669 1185367878 /nfs/dbraw/zinc/36/78/78/1185367878.db2.gz SHHXXVFJSJPPKN-QYZOEREBSA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656300669 1185367891 /nfs/dbraw/zinc/36/78/91/1185367891.db2.gz SHHXXVFJSJPPKN-QYZOEREBSA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656300669 1185367899 /nfs/dbraw/zinc/36/78/99/1185367899.db2.gz SHHXXVFJSJPPKN-QYZOEREBSA-N 2 1 393.576 0.509 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656308852 1185384162 /nfs/dbraw/zinc/38/41/62/1185384162.db2.gz JGXFECWSNLUSJB-ZWKOTPCHSA-N 2 1 380.533 0.737 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275993629 1185388460 /nfs/dbraw/zinc/38/84/60/1185388460.db2.gz KBTUTIBSZNBLFT-KRWDZBQOSA-N 2 1 394.520 0.343 20 0 GCADMP Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001707885946 1185402235 /nfs/dbraw/zinc/40/22/35/1185402235.db2.gz CJVRRHLXVBQMAH-QUCCMNQESA-N 2 1 391.564 0.258 20 0 GCADMP COC(=O)[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000413410067 1185403354 /nfs/dbraw/zinc/40/33/54/1185403354.db2.gz JWNMTUOJRHRWFK-INIZCTEOSA-N 2 1 393.488 0.268 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+](C)C1 ZINC000413410069 1185403563 /nfs/dbraw/zinc/40/35/63/1185403563.db2.gz JWNMTUOJRHRWFK-MRXNPFEDSA-N 2 1 393.488 0.268 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000656316411 1185404099 /nfs/dbraw/zinc/40/40/99/1185404099.db2.gz RNKCDXHTVSOWFW-MKXGPGLRSA-N 2 1 392.544 0.879 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656326729 1185422521 /nfs/dbraw/zinc/42/25/21/1185422521.db2.gz CLLAKDVOTIURTF-HCXYKTFWSA-N 2 1 392.544 0.614 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000656327665 1185422582 /nfs/dbraw/zinc/42/25/82/1185422582.db2.gz VTJXQNXWGZWKMB-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891349400 1185442953 /nfs/dbraw/zinc/44/29/53/1185442953.db2.gz UFJWXNIGNLBPSE-QRVBRYPASA-N 2 1 399.495 0.621 20 0 GCADMP CN1CC[NH+](Cc2ccc(CNC(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000471633376 1185443780 /nfs/dbraw/zinc/44/37/80/1185443780.db2.gz FUMXKSTWTBYMAI-UHFFFAOYSA-N 2 1 377.533 0.811 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000656353655 1185449442 /nfs/dbraw/zinc/44/94/42/1185449442.db2.gz BRVXSHFMYCBLGN-ROUUACIJSA-N 2 1 380.533 0.425 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967099 1185453219 /nfs/dbraw/zinc/45/32/19/1185453219.db2.gz AMHWIBBANJCGMX-RBUKOAKNSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967100 1185453252 /nfs/dbraw/zinc/45/32/52/1185453252.db2.gz AMHWIBBANJCGMX-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000656355627 1185455780 /nfs/dbraw/zinc/45/57/80/1185455780.db2.gz MDTJAJNWTLATDG-KSZLIROESA-N 2 1 378.517 0.300 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000656355627 1185455782 /nfs/dbraw/zinc/45/57/82/1185455782.db2.gz MDTJAJNWTLATDG-KSZLIROESA-N 2 1 378.517 0.300 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010366 1185459440 /nfs/dbraw/zinc/45/94/40/1185459440.db2.gz LYENAKNWSVXUPH-OAHLLOKOSA-N 2 1 377.489 0.903 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000471637543 1185472080 /nfs/dbraw/zinc/47/20/80/1185472080.db2.gz XGHIPFOCDWQDGA-OALUTQOASA-N 2 1 378.517 0.747 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000656366499 1185478677 /nfs/dbraw/zinc/47/86/77/1185478677.db2.gz PBUBXIBPUUIZQA-UHFFFAOYSA-N 2 1 389.500 0.795 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000581063702 1185481398 /nfs/dbraw/zinc/48/13/98/1185481398.db2.gz NOSPJXDIOSKPAD-PBHICJAKSA-N 2 1 380.533 0.591 20 0 GCADMP CN(C(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152423 1185504188 /nfs/dbraw/zinc/50/41/88/1185504188.db2.gz BZEVKIGOFGWBSG-WIYYLYMNSA-N 2 1 393.576 0.591 20 0 GCADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000581146816 1185514981 /nfs/dbraw/zinc/51/49/81/1185514981.db2.gz AWJKIGFOCOYPKO-UHFFFAOYSA-N 2 1 381.565 0.271 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000581211034 1185531716 /nfs/dbraw/zinc/53/17/16/1185531716.db2.gz DYKJHHZBUUVTHD-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000581211034 1185531720 /nfs/dbraw/zinc/53/17/20/1185531720.db2.gz DYKJHHZBUUVTHD-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000581211034 1185531724 /nfs/dbraw/zinc/53/17/24/1185531724.db2.gz DYKJHHZBUUVTHD-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299808 1185574416 /nfs/dbraw/zinc/57/44/16/1185574416.db2.gz HXCFXTHZPYTMSU-IRXDYDNUSA-N 2 1 377.533 0.857 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000581332816 1185601453 /nfs/dbraw/zinc/60/14/53/1185601453.db2.gz BTCKSMUKDOXOJI-KRWDZBQOSA-N 2 1 391.516 0.437 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000581332816 1185601457 /nfs/dbraw/zinc/60/14/57/1185601457.db2.gz BTCKSMUKDOXOJI-KRWDZBQOSA-N 2 1 391.516 0.437 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000581332817 1185602023 /nfs/dbraw/zinc/60/20/23/1185602023.db2.gz BTCKSMUKDOXOJI-QGZVFWFLSA-N 2 1 391.516 0.437 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000581332817 1185602026 /nfs/dbraw/zinc/60/20/26/1185602026.db2.gz BTCKSMUKDOXOJI-QGZVFWFLSA-N 2 1 391.516 0.437 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562079 1185606551 /nfs/dbraw/zinc/60/65/51/1185606551.db2.gz CHSZLABHLAQITL-LSDHHAIUSA-N 2 1 386.504 0.071 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562079 1185606560 /nfs/dbraw/zinc/60/65/60/1185606560.db2.gz CHSZLABHLAQITL-LSDHHAIUSA-N 2 1 386.504 0.071 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOCC[NH+](C)C ZINC000471648763 1185646996 /nfs/dbraw/zinc/64/69/96/1185646996.db2.gz WONZFSAHYCZDKI-QGZVFWFLSA-N 2 1 378.521 0.470 20 0 GCADMP C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430589763 1185649619 /nfs/dbraw/zinc/64/96/19/1185649619.db2.gz BHYYYKKAVAUTLV-ZDUSSCGKSA-N 2 1 384.502 0.491 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418840 1185666156 /nfs/dbraw/zinc/66/61/56/1185666156.db2.gz FFGSZYIBAXKWAF-CRAIPNDOSA-N 2 1 378.473 0.647 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418840 1185666159 /nfs/dbraw/zinc/66/61/59/1185666159.db2.gz FFGSZYIBAXKWAF-CRAIPNDOSA-N 2 1 378.473 0.647 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430603757 1185692643 /nfs/dbraw/zinc/69/26/43/1185692643.db2.gz LEDUCRMGDXSBRE-HNNXBMFYSA-N 2 1 387.484 0.539 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430603757 1185692647 /nfs/dbraw/zinc/69/26/47/1185692647.db2.gz LEDUCRMGDXSBRE-HNNXBMFYSA-N 2 1 387.484 0.539 20 0 GCADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430603269 1185695393 /nfs/dbraw/zinc/69/53/93/1185695393.db2.gz JPOSRSYOFOUHFB-SFHVURJKSA-N 2 1 390.528 0.928 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000581474565 1185710970 /nfs/dbraw/zinc/71/09/70/1185710970.db2.gz IVXZKGCWXMIGEC-HDICACEKSA-N 2 1 381.565 0.414 20 0 GCADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000581479364 1185723071 /nfs/dbraw/zinc/72/30/71/1185723071.db2.gz UUHGRBZMAMDXRO-KRWDZBQOSA-N 2 1 395.548 0.084 20 0 GCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000581479364 1185723077 /nfs/dbraw/zinc/72/30/77/1185723077.db2.gz UUHGRBZMAMDXRO-KRWDZBQOSA-N 2 1 395.548 0.084 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414151 1185723138 /nfs/dbraw/zinc/72/31/38/1185723138.db2.gz GHCKHBXTUWASLW-HHARLNAUSA-N 2 1 379.505 0.683 20 0 GCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424397 1185743930 /nfs/dbraw/zinc/74/39/30/1185743930.db2.gz USXJALMRWBWVAG-HVKXIDHRSA-N 2 1 393.532 0.929 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430614291 1185775749 /nfs/dbraw/zinc/77/57/49/1185775749.db2.gz XWKASTGSCDAPDL-SJLPKXTDSA-N 2 1 392.475 0.513 20 0 GCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614093 1185776135 /nfs/dbraw/zinc/77/61/35/1185776135.db2.gz YCSWVXGXUWDFLD-HUUCEWRRSA-N 2 1 388.468 0.886 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000430614290 1185776236 /nfs/dbraw/zinc/77/62/36/1185776236.db2.gz XWKASTGSCDAPDL-FUHWJXTLSA-N 2 1 392.475 0.513 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581597870 1185780713 /nfs/dbraw/zinc/78/07/13/1185780713.db2.gz IEVJWFOLXDHOGG-NEWSRXKRSA-N 2 1 387.528 0.115 20 0 GCADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430617087 1185783695 /nfs/dbraw/zinc/78/36/95/1185783695.db2.gz JVTGPZWXBPPGAQ-KGLIPLIRSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430617087 1185783699 /nfs/dbraw/zinc/78/36/99/1185783699.db2.gz JVTGPZWXBPPGAQ-KGLIPLIRSA-N 2 1 378.473 0.818 20 0 GCADMP O=C(CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430617905 1185786260 /nfs/dbraw/zinc/78/62/60/1185786260.db2.gz PXKAXPPDNMKJFW-HNNXBMFYSA-N 2 1 388.468 0.888 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000430617683 1185786379 /nfs/dbraw/zinc/78/63/79/1185786379.db2.gz OHUJGHOEXOITCS-QGZVFWFLSA-N 2 1 387.484 0.156 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619355 1185795172 /nfs/dbraw/zinc/79/51/72/1185795172.db2.gz BBLMFVYQCIBYCT-HIFRSBDPSA-N 2 1 375.473 0.759 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC001022035905 1185795479 /nfs/dbraw/zinc/79/54/79/1185795479.db2.gz WYBZMXAYNMIKIQ-BZZMCLGOSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC001022035905 1185795483 /nfs/dbraw/zinc/79/54/83/1185795483.db2.gz WYBZMXAYNMIKIQ-BZZMCLGOSA-N 2 1 378.517 0.107 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430620721 1185795544 /nfs/dbraw/zinc/79/55/44/1185795544.db2.gz BOXRIDWYWDEDBR-HNNXBMFYSA-N 2 1 383.496 0.840 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000430621791 1185798005 /nfs/dbraw/zinc/79/80/05/1185798005.db2.gz KEMQXTVIWPNIOB-CABCVRRESA-N 2 1 390.450 0.931 20 0 GCADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623851 1185805784 /nfs/dbraw/zinc/80/57/84/1185805784.db2.gz NOJAHKDQNDNFGO-UONOGXRCSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623851 1185805805 /nfs/dbraw/zinc/80/58/05/1185805805.db2.gz NOJAHKDQNDNFGO-UONOGXRCSA-N 2 1 378.473 0.818 20 0 GCADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430625928 1185809982 /nfs/dbraw/zinc/80/99/82/1185809982.db2.gz KEXSRURXOJRDHW-ZBFHGGJFSA-N 2 1 375.473 0.188 20 0 GCADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626480 1185811394 /nfs/dbraw/zinc/81/13/94/1185811394.db2.gz LCVOWXOZJOXAIM-WMZOPIPTSA-N 2 1 388.512 0.844 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000430630955 1185817540 /nfs/dbraw/zinc/81/75/40/1185817540.db2.gz ZLNANSXYCISFPD-KRWDZBQOSA-N 2 1 393.557 0.179 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430629461 1185818076 /nfs/dbraw/zinc/81/80/76/1185818076.db2.gz QBRDBDMOENXRST-CQSZACIVSA-N 2 1 389.525 0.742 20 0 GCADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430640801 1185844678 /nfs/dbraw/zinc/84/46/78/1185844678.db2.gz HZBWXDSWNSBDOY-GOSISDBHSA-N 2 1 394.541 0.331 20 0 GCADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430640801 1185844684 /nfs/dbraw/zinc/84/46/84/1185844684.db2.gz HZBWXDSWNSBDOY-GOSISDBHSA-N 2 1 394.541 0.331 20 0 GCADMP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430646512 1185861850 /nfs/dbraw/zinc/86/18/50/1185861850.db2.gz WICAAGQEGXXZBE-HNNXBMFYSA-N 2 1 375.473 0.162 20 0 GCADMP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430646512 1185861867 /nfs/dbraw/zinc/86/18/67/1185861867.db2.gz WICAAGQEGXXZBE-HNNXBMFYSA-N 2 1 375.473 0.162 20 0 GCADMP CCCNC(=O)CN1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000051202174 1185875037 /nfs/dbraw/zinc/87/50/37/1185875037.db2.gz OVUBYKLQMXZSFR-MRXNPFEDSA-N 2 1 396.532 0.368 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430653342 1185877967 /nfs/dbraw/zinc/87/79/67/1185877967.db2.gz YWVNBRNHRAOVLO-INIZCTEOSA-N 2 1 387.484 0.727 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430653342 1185877973 /nfs/dbraw/zinc/87/79/73/1185877973.db2.gz YWVNBRNHRAOVLO-INIZCTEOSA-N 2 1 387.484 0.727 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1cccs1 ZINC000430656026 1185881951 /nfs/dbraw/zinc/88/19/51/1185881951.db2.gz SRTQTEDZCGYZKK-AWEZNQCLSA-N 2 1 393.513 0.218 20 0 GCADMP C[NH+](C)CCCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000569349028 1185884782 /nfs/dbraw/zinc/88/47/82/1185884782.db2.gz VQPAWSQRPLEQRM-QGZVFWFLSA-N 2 1 388.512 0.986 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891483485 1185887373 /nfs/dbraw/zinc/88/73/73/1185887373.db2.gz QJMXKGGCZLWFDW-KBPBESRZSA-N 2 1 375.464 0.473 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430656268 1185892770 /nfs/dbraw/zinc/89/27/70/1185892770.db2.gz SUVBWVQHJJNQBS-HNNXBMFYSA-N 2 1 380.464 0.498 20 0 GCADMP O=C(NCCN1CCC(O)CC1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000891506013 1185898978 /nfs/dbraw/zinc/89/89/78/1185898978.db2.gz SNYBJIDBFNBHRO-IBGZPJMESA-N 2 1 376.501 0.643 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891536045 1185908311 /nfs/dbraw/zinc/90/83/11/1185908311.db2.gz BMICXTRDYYVJKN-WCQYABFASA-N 2 1 379.427 0.318 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000891558980 1185918754 /nfs/dbraw/zinc/91/87/54/1185918754.db2.gz CKJRYCSOHYJYTF-IPYPFGDCSA-N 2 1 377.455 0.934 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000891558980 1185918757 /nfs/dbraw/zinc/91/87/57/1185918757.db2.gz CKJRYCSOHYJYTF-IPYPFGDCSA-N 2 1 377.455 0.934 20 0 GCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891566284 1185920985 /nfs/dbraw/zinc/92/09/85/1185920985.db2.gz TZOXBXXSFGOBNU-PMACEKPBSA-N 2 1 387.528 0.407 20 0 GCADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563298 1185921649 /nfs/dbraw/zinc/92/16/49/1185921649.db2.gz CQYOPBZNJAIPAZ-FXAWDEMLSA-N 2 1 381.565 0.799 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891563294 1185921918 /nfs/dbraw/zinc/92/19/18/1185921918.db2.gz COPJBOHYYWNLFH-QUCCMNQESA-N 2 1 379.549 0.568 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891598198 1185936505 /nfs/dbraw/zinc/93/65/05/1185936505.db2.gz XTTMDZIOHPLCCX-OAGGEKHMSA-N 2 1 376.461 0.548 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430669112 1185942657 /nfs/dbraw/zinc/94/26/57/1185942657.db2.gz SKDDQQDHZBNFFX-HNNXBMFYSA-N 2 1 398.454 0.734 20 0 GCADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668342 1185943362 /nfs/dbraw/zinc/94/33/62/1185943362.db2.gz RCSIHLHRBNBKCH-HOTGVXAUSA-N 2 1 399.495 0.504 20 0 GCADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668340 1185943739 /nfs/dbraw/zinc/94/37/39/1185943739.db2.gz RCSIHLHRBNBKCH-CVEARBPZSA-N 2 1 399.495 0.504 20 0 GCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000419905325 1185977869 /nfs/dbraw/zinc/97/78/69/1185977869.db2.gz YUGSXDPBMVJQQN-KGLIPLIRSA-N 2 1 394.438 0.486 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581937800 1185997747 /nfs/dbraw/zinc/99/77/47/1185997747.db2.gz RHHQSACJKWVKSC-PJVZLEMVSA-N 2 1 391.560 0.199 20 0 GCADMP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761846 1186014906 /nfs/dbraw/zinc/01/49/06/1186014906.db2.gz JUAGYTSIJZBNHW-MSOLQXFVSA-N 2 1 387.532 0.867 20 0 GCADMP C[N@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761846 1186014913 /nfs/dbraw/zinc/01/49/13/1186014913.db2.gz JUAGYTSIJZBNHW-MSOLQXFVSA-N 2 1 387.532 0.867 20 0 GCADMP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761849 1186015077 /nfs/dbraw/zinc/01/50/77/1186015077.db2.gz JUAGYTSIJZBNHW-ZWKOTPCHSA-N 2 1 387.532 0.867 20 0 GCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761849 1186015081 /nfs/dbraw/zinc/01/50/81/1186015081.db2.gz JUAGYTSIJZBNHW-ZWKOTPCHSA-N 2 1 387.532 0.867 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998496 1186034650 /nfs/dbraw/zinc/03/46/50/1186034650.db2.gz IREXBDDIFILVER-MSOLQXFVSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998496 1186034656 /nfs/dbraw/zinc/03/46/56/1186034656.db2.gz IREXBDDIFILVER-MSOLQXFVSA-N 2 1 394.560 0.888 20 0 GCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000933847122 1186108747 /nfs/dbraw/zinc/10/87/47/1186108747.db2.gz LYAHUKYBTLJIQV-UHFFFAOYSA-N 2 1 394.560 0.938 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000891926349 1186163044 /nfs/dbraw/zinc/16/30/44/1186163044.db2.gz MXUBKVDIHIVZDV-MJGOQNOKSA-N 2 1 387.528 0.841 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000891926349 1186163047 /nfs/dbraw/zinc/16/30/47/1186163047.db2.gz MXUBKVDIHIVZDV-MJGOQNOKSA-N 2 1 387.528 0.841 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891929476 1186166610 /nfs/dbraw/zinc/16/66/10/1186166610.db2.gz OUQULEWSJCRUCK-ZWKOTPCHSA-N 2 1 395.548 0.218 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891929476 1186166614 /nfs/dbraw/zinc/16/66/14/1186166614.db2.gz OUQULEWSJCRUCK-ZWKOTPCHSA-N 2 1 395.548 0.218 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891929474 1186166732 /nfs/dbraw/zinc/16/67/32/1186166732.db2.gz OUQULEWSJCRUCK-QZTJIDSGSA-N 2 1 395.548 0.218 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000891929474 1186166738 /nfs/dbraw/zinc/16/67/38/1186166738.db2.gz OUQULEWSJCRUCK-QZTJIDSGSA-N 2 1 395.548 0.218 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000581999829 1186178963 /nfs/dbraw/zinc/17/89/63/1186178963.db2.gz KASDHVNRAFKDIF-JKSUJKDBSA-N 2 1 393.557 0.411 20 0 GCADMP Cn1nc2c(c1CN1CCC(CC(=O)N3CCN(C)CC3)CC1)COCC2 ZINC000891949828 1186183980 /nfs/dbraw/zinc/18/39/80/1186183980.db2.gz ZGUQHWZLJDYYEI-UHFFFAOYSA-N 2 1 375.517 0.869 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972909 1186270636 /nfs/dbraw/zinc/27/06/36/1186270636.db2.gz MRPAIAIGOXSUOJ-IBGZPJMESA-N 2 1 375.517 0.400 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972909 1186270643 /nfs/dbraw/zinc/27/06/43/1186270643.db2.gz MRPAIAIGOXSUOJ-IBGZPJMESA-N 2 1 375.517 0.400 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000582017983 1186371665 /nfs/dbraw/zinc/37/16/65/1186371665.db2.gz NDQMTMYPHPMKOA-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000582017983 1186371668 /nfs/dbraw/zinc/37/16/68/1186371668.db2.gz NDQMTMYPHPMKOA-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000370931826 1186535256 /nfs/dbraw/zinc/53/52/56/1186535256.db2.gz ZIQZQUDPFGHVCT-OTWHNJEPSA-N 2 1 397.564 0.144 20 0 GCADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000370931826 1186535259 /nfs/dbraw/zinc/53/52/59/1186535259.db2.gz ZIQZQUDPFGHVCT-OTWHNJEPSA-N 2 1 397.564 0.144 20 0 GCADMP COCC[NH+]1[C@H](C)CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000370931826 1186535261 /nfs/dbraw/zinc/53/52/61/1186535261.db2.gz ZIQZQUDPFGHVCT-OTWHNJEPSA-N 2 1 397.564 0.144 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582595610 1186578606 /nfs/dbraw/zinc/57/86/06/1186578606.db2.gz OKWMSHCDMPKENI-QZTJIDSGSA-N 2 1 377.533 0.928 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)CC2)c1 ZINC000582600355 1186580412 /nfs/dbraw/zinc/58/04/12/1186580412.db2.gz WSQKDMKVPNHPFD-MSOLQXFVSA-N 2 1 385.512 0.887 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000582627999 1186590698 /nfs/dbraw/zinc/59/06/98/1186590698.db2.gz MTMJYEWACWWRBN-OKZBNKHCSA-N 2 1 380.533 0.279 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@H+]1C ZINC000582627999 1186590701 /nfs/dbraw/zinc/59/07/01/1186590701.db2.gz MTMJYEWACWWRBN-OKZBNKHCSA-N 2 1 380.533 0.279 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000582680705 1186607607 /nfs/dbraw/zinc/60/76/07/1186607607.db2.gz LRECSKAJIOBUDS-ROUUACIJSA-N 2 1 379.549 0.073 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCCC[C@H]1C ZINC000582701986 1186616551 /nfs/dbraw/zinc/61/65/51/1186616551.db2.gz WTXWPGQABFZAHM-CVEARBPZSA-N 2 1 390.532 1.467 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069827332 1186714854 /nfs/dbraw/zinc/71/48/54/1186714854.db2.gz HUQVLRGRGNHPAD-LJQANCHMSA-N 2 1 377.533 0.853 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000583430449 1186750048 /nfs/dbraw/zinc/75/00/48/1186750048.db2.gz ZIIRFLFYYSIUNH-MRXNPFEDSA-N 2 1 395.548 0.482 20 0 GCADMP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000079269089 1186751865 /nfs/dbraw/zinc/75/18/65/1186751865.db2.gz HSOJTADVLLEGIG-QGZVFWFLSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000079269089 1186751868 /nfs/dbraw/zinc/75/18/68/1186751868.db2.gz HSOJTADVLLEGIG-QGZVFWFLSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000583149361 1186781893 /nfs/dbraw/zinc/78/18/93/1186781893.db2.gz MYVPRCKXIQAVAT-MRXNPFEDSA-N 2 1 378.517 0.514 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000583222010 1186799995 /nfs/dbraw/zinc/79/99/95/1186799995.db2.gz SVDRJRZPRTZZAR-MLHJIOFPSA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000583222010 1186799998 /nfs/dbraw/zinc/79/99/98/1186799998.db2.gz SVDRJRZPRTZZAR-MLHJIOFPSA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000583222010 1186800002 /nfs/dbraw/zinc/80/00/02/1186800002.db2.gz SVDRJRZPRTZZAR-MLHJIOFPSA-N 2 1 382.549 0.839 20 0 GCADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1S(N)(=O)=O ZINC000563622421 1186820085 /nfs/dbraw/zinc/82/00/85/1186820085.db2.gz HAXTTYAJOYFXNM-HUUCEWRRSA-N 2 1 380.514 0.902 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583324729 1186825461 /nfs/dbraw/zinc/82/54/61/1186825461.db2.gz IRVMAHPUENWSRT-SUMDDJOVSA-N 2 1 376.501 0.492 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583324729 1186825465 /nfs/dbraw/zinc/82/54/65/1186825465.db2.gz IRVMAHPUENWSRT-SUMDDJOVSA-N 2 1 376.501 0.492 20 0 GCADMP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000583320026 1186826235 /nfs/dbraw/zinc/82/62/35/1186826235.db2.gz WZWKWTSCSSFGLP-KRWDZBQOSA-N 2 1 380.439 0.914 20 0 GCADMP O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000583320027 1186826420 /nfs/dbraw/zinc/82/64/20/1186826420.db2.gz WZWKWTSCSSFGLP-QGZVFWFLSA-N 2 1 380.439 0.914 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125428 1186835362 /nfs/dbraw/zinc/83/53/62/1186835362.db2.gz MNTBAZAYHDWNRM-ZIFCJYIRSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125428 1186835363 /nfs/dbraw/zinc/83/53/63/1186835363.db2.gz MNTBAZAYHDWNRM-ZIFCJYIRSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000685125428 1186835364 /nfs/dbraw/zinc/83/53/64/1186835364.db2.gz MNTBAZAYHDWNRM-ZIFCJYIRSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000685125428 1186835366 /nfs/dbraw/zinc/83/53/66/1186835366.db2.gz MNTBAZAYHDWNRM-ZIFCJYIRSA-N 2 1 390.528 0.849 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405024 1186846839 /nfs/dbraw/zinc/84/68/39/1186846839.db2.gz VDLFADYCPJVLIM-ZWKOTPCHSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405024 1186846841 /nfs/dbraw/zinc/84/68/41/1186846841.db2.gz VDLFADYCPJVLIM-ZWKOTPCHSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405024 1186846845 /nfs/dbraw/zinc/84/68/45/1186846845.db2.gz VDLFADYCPJVLIM-ZWKOTPCHSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405024 1186846848 /nfs/dbraw/zinc/84/68/48/1186846848.db2.gz VDLFADYCPJVLIM-ZWKOTPCHSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405021 1186846950 /nfs/dbraw/zinc/84/69/50/1186846950.db2.gz VDLFADYCPJVLIM-MSOLQXFVSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405021 1186846952 /nfs/dbraw/zinc/84/69/52/1186846952.db2.gz VDLFADYCPJVLIM-MSOLQXFVSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405021 1186846955 /nfs/dbraw/zinc/84/69/55/1186846955.db2.gz VDLFADYCPJVLIM-MSOLQXFVSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405021 1186846956 /nfs/dbraw/zinc/84/69/56/1186846956.db2.gz VDLFADYCPJVLIM-MSOLQXFVSA-N 2 1 396.576 0.774 20 0 GCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223203 1186853161 /nfs/dbraw/zinc/85/31/61/1186853161.db2.gz ABWMRYJLUWBIKF-VQHPVUNQSA-N 2 1 381.542 0.629 20 0 GCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223203 1186853163 /nfs/dbraw/zinc/85/31/63/1186853163.db2.gz ABWMRYJLUWBIKF-VQHPVUNQSA-N 2 1 381.542 0.629 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000583511593 1186875582 /nfs/dbraw/zinc/87/55/82/1186875582.db2.gz OGTIQMWOWVQFHP-RBUKOAKNSA-N 2 1 388.512 0.257 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000458603173 1186894675 /nfs/dbraw/zinc/89/46/75/1186894675.db2.gz CJWPBFBWEMXZMF-IYBDPMFKSA-N 2 1 379.505 0.619 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621689 1186902227 /nfs/dbraw/zinc/90/22/27/1186902227.db2.gz VWDUMCHJLRBYJR-IRXDYDNUSA-N 2 1 395.935 0.421 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621687 1186902245 /nfs/dbraw/zinc/90/22/45/1186902245.db2.gz VWDUMCHJLRBYJR-DLBZAZTESA-N 2 1 395.935 0.421 20 0 GCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N1CCN(c2[nH+]ccn2C)CC1 ZINC000583670292 1186915782 /nfs/dbraw/zinc/91/57/82/1186915782.db2.gz YJHQYIWAWCGLRH-UHFFFAOYSA-N 2 1 395.533 0.306 20 0 GCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000583693275 1186918653 /nfs/dbraw/zinc/91/86/53/1186918653.db2.gz INQWWKCWGHVPSB-HUUCEWRRSA-N 2 1 389.500 0.184 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329375953 1186927135 /nfs/dbraw/zinc/92/71/35/1186927135.db2.gz OBGQQWLXOBDNMF-RTBURBONSA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C[C@H](C)[N@@H+]1CCO ZINC000458662797 1186930287 /nfs/dbraw/zinc/93/02/87/1186930287.db2.gz URFQBTPGGFJGBM-QKLQHJQFSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[C@H](C)[NH+]1CCO ZINC000458662797 1186930288 /nfs/dbraw/zinc/93/02/88/1186930288.db2.gz URFQBTPGGFJGBM-QKLQHJQFSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@H](C)[NH+]1CCO ZINC000458662797 1186930291 /nfs/dbraw/zinc/93/02/91/1186930291.db2.gz URFQBTPGGFJGBM-QKLQHJQFSA-N 2 1 390.528 0.850 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000583766363 1186935057 /nfs/dbraw/zinc/93/50/57/1186935057.db2.gz HCWVGTINOSKRPH-KURKYZTESA-N 2 1 390.528 0.812 20 0 GCADMP O=c1[nH]c2ccc(S(=O)(=O)N3CC[NH+](CC[C@@H]4CCC[NH2+]C4)CC3)cc2[nH]1 ZINC000583862253 1186953600 /nfs/dbraw/zinc/95/36/00/1186953600.db2.gz MPIWJHCHGYAVRW-AWEZNQCLSA-N 2 1 393.513 0.965 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000158684136 1186986564 /nfs/dbraw/zinc/98/65/64/1186986564.db2.gz ZNHJFWAPCWDILK-UHFFFAOYSA-N 2 1 399.561 0.616 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@H]2C1 ZINC000584194972 1187013640 /nfs/dbraw/zinc/01/36/40/1187013640.db2.gz IBAQTQPRERZUHW-BGTYHANMSA-N 2 1 378.517 0.033 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277347 1187020213 /nfs/dbraw/zinc/02/02/13/1187020213.db2.gz GPSLNLZKSYFYRJ-BZUAXINKSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277347 1187020219 /nfs/dbraw/zinc/02/02/19/1187020219.db2.gz GPSLNLZKSYFYRJ-BZUAXINKSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277347 1187020225 /nfs/dbraw/zinc/02/02/25/1187020225.db2.gz GPSLNLZKSYFYRJ-BZUAXINKSA-N 2 1 378.517 0.440 20 0 GCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000420972849 1187040220 /nfs/dbraw/zinc/04/02/20/1187040220.db2.gz BJIXOWCAJBRBNS-ZVDOUQERSA-N 2 1 382.593 0.949 20 0 GCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000420972847 1187040354 /nfs/dbraw/zinc/04/03/54/1187040354.db2.gz BJIXOWCAJBRBNS-ZJOUEHCJSA-N 2 1 382.593 0.949 20 0 GCADMP Cc1cn(C)c(CC(=O)N2CCC[NH+](C)CC2)c1C(=O)N1CCC[N@@H+](C)CC1 ZINC000375751254 1187061918 /nfs/dbraw/zinc/06/19/18/1187061918.db2.gz YUNOSIVNLZSYTG-UHFFFAOYSA-N 2 1 389.544 0.818 20 0 GCADMP Cc1cn(C)c(CC(=O)N2CCC[N@H+](C)CC2)c1C(=O)N1CCC[NH+](C)CC1 ZINC000375751254 1187061922 /nfs/dbraw/zinc/06/19/22/1187061922.db2.gz YUNOSIVNLZSYTG-UHFFFAOYSA-N 2 1 389.544 0.818 20 0 GCADMP Cc1cn(C)c(CC(=O)N2CCC[N@@H+](C)CC2)c1C(=O)N1CCC[NH+](C)CC1 ZINC000375751254 1187061925 /nfs/dbraw/zinc/06/19/25/1187061925.db2.gz YUNOSIVNLZSYTG-UHFFFAOYSA-N 2 1 389.544 0.818 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306295 1187062772 /nfs/dbraw/zinc/06/27/72/1187062772.db2.gz AUNIYSMRYYUITI-BQFCYCMXSA-N 2 1 378.517 0.156 20 0 GCADMP CN1CCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000584459101 1187080763 /nfs/dbraw/zinc/08/07/63/1187080763.db2.gz ZIQVRTABAYHHNR-HZPDHXFCSA-N 2 1 380.562 0.321 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685338992 1187103058 /nfs/dbraw/zinc/10/30/58/1187103058.db2.gz BPMPKPVKEDTQHZ-UHOSZYNNSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685338992 1187103062 /nfs/dbraw/zinc/10/30/62/1187103062.db2.gz BPMPKPVKEDTQHZ-UHOSZYNNSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338992 1187103068 /nfs/dbraw/zinc/10/30/68/1187103068.db2.gz BPMPKPVKEDTQHZ-UHOSZYNNSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338992 1187103072 /nfs/dbraw/zinc/10/30/72/1187103072.db2.gz BPMPKPVKEDTQHZ-UHOSZYNNSA-N 2 1 388.512 0.555 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)o1 ZINC000685340160 1187103779 /nfs/dbraw/zinc/10/37/79/1187103779.db2.gz PKAQSBXKTPMGFD-DOTOQJQBSA-N 2 1 380.489 0.314 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)o1 ZINC000685340160 1187103783 /nfs/dbraw/zinc/10/37/83/1187103783.db2.gz PKAQSBXKTPMGFD-DOTOQJQBSA-N 2 1 380.489 0.314 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342057 1187107680 /nfs/dbraw/zinc/10/76/80/1187107680.db2.gz XEYMXNPRMRTCNN-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342057 1187107685 /nfs/dbraw/zinc/10/76/85/1187107685.db2.gz XEYMXNPRMRTCNN-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1C[N@H+](C)CCO1 ZINC000685342484 1187107835 /nfs/dbraw/zinc/10/78/35/1187107835.db2.gz YWNCWSRDCGSIAW-GOEBONIOSA-N 2 1 382.530 0.474 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342484 1187107841 /nfs/dbraw/zinc/10/78/41/1187107841.db2.gz YWNCWSRDCGSIAW-GOEBONIOSA-N 2 1 382.530 0.474 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685342053 1187108156 /nfs/dbraw/zinc/10/81/56/1187108156.db2.gz XEYMXNPRMRTCNN-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342053 1187108158 /nfs/dbraw/zinc/10/81/58/1187108158.db2.gz XEYMXNPRMRTCNN-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501344 1187136736 /nfs/dbraw/zinc/13/67/36/1187136736.db2.gz XNSYVYYKVZIXDI-MOPGFXCFSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)C1 ZINC000685501344 1187136744 /nfs/dbraw/zinc/13/67/44/1187136744.db2.gz XNSYVYYKVZIXDI-MOPGFXCFSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2)C1 ZINC000685501344 1187136749 /nfs/dbraw/zinc/13/67/49/1187136749.db2.gz XNSYVYYKVZIXDI-MOPGFXCFSA-N 2 1 391.560 0.358 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000685520193 1187142790 /nfs/dbraw/zinc/14/27/90/1187142790.db2.gz LCKBPZSOIWCWCU-QGZVFWFLSA-N 2 1 381.565 0.319 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000685520193 1187142793 /nfs/dbraw/zinc/14/27/93/1187142793.db2.gz LCKBPZSOIWCWCU-QGZVFWFLSA-N 2 1 381.565 0.319 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000685520193 1187142796 /nfs/dbraw/zinc/14/27/96/1187142796.db2.gz LCKBPZSOIWCWCU-QGZVFWFLSA-N 2 1 381.565 0.319 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2O)CC[N@H+]1C ZINC001023970038 1187205705 /nfs/dbraw/zinc/20/57/05/1187205705.db2.gz CPHGKNBQLFDTHI-UTRMSSBJSA-N 2 1 388.512 0.390 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000658129161 1187248313 /nfs/dbraw/zinc/24/83/13/1187248313.db2.gz UGDVWHVNMQTWIE-SFHVURJKSA-N 2 1 392.544 0.644 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC000972854606 1187281104 /nfs/dbraw/zinc/28/11/04/1187281104.db2.gz FIVTXWCLMYHMKU-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC000972854606 1187281109 /nfs/dbraw/zinc/28/11/09/1187281109.db2.gz FIVTXWCLMYHMKU-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC000972854606 1187281115 /nfs/dbraw/zinc/28/11/15/1187281115.db2.gz FIVTXWCLMYHMKU-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC000972854606 1187281121 /nfs/dbraw/zinc/28/11/21/1187281121.db2.gz FIVTXWCLMYHMKU-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000658424047 1187294215 /nfs/dbraw/zinc/29/42/15/1187294215.db2.gz YLHNSFIUIMINEO-HNNXBMFYSA-N 2 1 389.500 0.469 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000658568908 1187349647 /nfs/dbraw/zinc/34/96/47/1187349647.db2.gz YTTVMEUCHLGHTR-ROUUACIJSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658568908 1187349649 /nfs/dbraw/zinc/34/96/49/1187349649.db2.gz YTTVMEUCHLGHTR-ROUUACIJSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658568908 1187349650 /nfs/dbraw/zinc/34/96/50/1187349650.db2.gz YTTVMEUCHLGHTR-ROUUACIJSA-N 2 1 379.549 0.025 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732075 1187433509 /nfs/dbraw/zinc/43/35/09/1187433509.db2.gz XLRLHFDWKUUNMW-RTBURBONSA-N 2 1 391.560 0.312 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612446203 1187492758 /nfs/dbraw/zinc/49/27/58/1187492758.db2.gz RYBPBIUYITYWSC-INIZCTEOSA-N 2 1 380.533 0.425 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612446203 1187492762 /nfs/dbraw/zinc/49/27/62/1187492762.db2.gz RYBPBIUYITYWSC-INIZCTEOSA-N 2 1 380.533 0.425 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612446809 1187493551 /nfs/dbraw/zinc/49/35/51/1187493551.db2.gz XLNFHDQJTLGPAP-SFHVURJKSA-N 2 1 393.576 0.606 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612446809 1187493553 /nfs/dbraw/zinc/49/35/53/1187493553.db2.gz XLNFHDQJTLGPAP-SFHVURJKSA-N 2 1 393.576 0.606 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612446809 1187493556 /nfs/dbraw/zinc/49/35/56/1187493556.db2.gz XLNFHDQJTLGPAP-SFHVURJKSA-N 2 1 393.576 0.606 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000612481463 1187503892 /nfs/dbraw/zinc/50/38/92/1187503892.db2.gz BHENYIMDTRBWRU-DLBZAZTESA-N 2 1 382.549 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000612481463 1187503899 /nfs/dbraw/zinc/50/38/99/1187503899.db2.gz BHENYIMDTRBWRU-DLBZAZTESA-N 2 1 382.549 0.527 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000612545786 1187522217 /nfs/dbraw/zinc/52/22/17/1187522217.db2.gz MTSWLBGPELZYGB-SFHVURJKSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612545786 1187522222 /nfs/dbraw/zinc/52/22/22/1187522222.db2.gz MTSWLBGPELZYGB-SFHVURJKSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612545786 1187522225 /nfs/dbraw/zinc/52/22/25/1187522225.db2.gz MTSWLBGPELZYGB-SFHVURJKSA-N 2 1 393.576 0.604 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597005 1187536473 /nfs/dbraw/zinc/53/64/73/1187536473.db2.gz ZLBVBFJXWLTSQU-AEFFLSMTSA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597007 1187536512 /nfs/dbraw/zinc/53/65/12/1187536512.db2.gz ZLBVBFJXWLTSQU-SJLPKXTDSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000612600588 1187539522 /nfs/dbraw/zinc/53/95/22/1187539522.db2.gz IKNVYCPDLUXQOO-RYRKJORJSA-N 2 1 380.533 0.593 20 0 GCADMP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376033716 1187556505 /nfs/dbraw/zinc/55/65/05/1187556505.db2.gz GDXGSAVKHHLBAH-OAHLLOKOSA-N 2 1 392.504 1.251 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612775983 1187579411 /nfs/dbraw/zinc/57/94/11/1187579411.db2.gz FGIJOIZMCZGCPV-MRXNPFEDSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612775983 1187579414 /nfs/dbraw/zinc/57/94/14/1187579414.db2.gz FGIJOIZMCZGCPV-MRXNPFEDSA-N 2 1 394.560 0.528 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@@H+]1C ZINC000947250257 1187632629 /nfs/dbraw/zinc/63/26/29/1187632629.db2.gz TZZDUFYJPQQGEJ-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC000947250257 1187632633 /nfs/dbraw/zinc/63/26/33/1187632633.db2.gz TZZDUFYJPQQGEJ-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000947250257 1187632635 /nfs/dbraw/zinc/63/26/35/1187632635.db2.gz TZZDUFYJPQQGEJ-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000947250257 1187632638 /nfs/dbraw/zinc/63/26/38/1187632638.db2.gz TZZDUFYJPQQGEJ-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051432 1187669031 /nfs/dbraw/zinc/66/90/31/1187669031.db2.gz MWMVDKZRRFKJEL-ROUUACIJSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051432 1187669034 /nfs/dbraw/zinc/66/90/34/1187669034.db2.gz MWMVDKZRRFKJEL-ROUUACIJSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051427 1187669120 /nfs/dbraw/zinc/66/91/20/1187669120.db2.gz MWMVDKZRRFKJEL-MSOLQXFVSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051427 1187669122 /nfs/dbraw/zinc/66/91/22/1187669122.db2.gz MWMVDKZRRFKJEL-MSOLQXFVSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@@H+]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)[C@@H](C)C1 ZINC000589035790 1187726518 /nfs/dbraw/zinc/72/65/18/1187726518.db2.gz NTQGLLXLJJUTJJ-BZSNNMDCSA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000376389024 1187808209 /nfs/dbraw/zinc/80/82/09/1187808209.db2.gz VCLIJJNYWUNCFG-GOSISDBHSA-N 2 1 380.581 0.434 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332906320 1187812176 /nfs/dbraw/zinc/81/21/76/1187812176.db2.gz CHNVMOLPRZSKCZ-KBAYOESNSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000332906320 1187812183 /nfs/dbraw/zinc/81/21/83/1187812183.db2.gz CHNVMOLPRZSKCZ-KBAYOESNSA-N 2 1 378.517 0.299 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)CC2)C1 ZINC000332923842 1187818791 /nfs/dbraw/zinc/81/87/91/1187818791.db2.gz GHURTJAWKYEQOY-CEXWTWQISA-N 2 1 381.565 0.906 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977844 1187829904 /nfs/dbraw/zinc/82/99/04/1187829904.db2.gz KQKUBECAQBLERY-OALUTQOASA-N 2 1 391.560 0.312 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@H](C)C[NH2+]C)cc2)CC1 ZINC000659112780 1187889323 /nfs/dbraw/zinc/88/93/23/1187889323.db2.gz LKOKJXROXQOUKX-OAHLLOKOSA-N 2 1 389.500 0.056 20 0 GCADMP CCCN(C(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647567829 1187896241 /nfs/dbraw/zinc/89/62/41/1187896241.db2.gz BKXHTPGNBCQHBX-GOSISDBHSA-N 2 1 380.533 0.500 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000659159712 1187904319 /nfs/dbraw/zinc/90/43/19/1187904319.db2.gz YKIWWFADXHOCBW-QGZVFWFLSA-N 2 1 380.533 0.500 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc2)CC1 ZINC000647594896 1187906309 /nfs/dbraw/zinc/90/63/09/1187906309.db2.gz XVCOREHWJAVTTJ-IAGOWNOFSA-N 2 1 389.544 0.682 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423716005 1187920276 /nfs/dbraw/zinc/92/02/76/1187920276.db2.gz ZXBQVTWRQLTWFZ-LJQANCHMSA-N 2 1 387.528 0.083 20 0 GCADMP CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134915030 1187927598 /nfs/dbraw/zinc/92/75/98/1187927598.db2.gz LDBJDTAMBACMPB-IEBWSBKVSA-N 2 1 391.560 0.168 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345139 1187945514 /nfs/dbraw/zinc/94/55/14/1187945514.db2.gz DAMVUSZAYXRWFN-MOPGFXCFSA-N 2 1 391.560 0.312 20 0 GCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344803 1187946101 /nfs/dbraw/zinc/94/61/01/1187946101.db2.gz KWRFYSGPJMOSHS-GOSISDBHSA-N 2 1 379.549 0.168 20 0 GCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344803 1187946105 /nfs/dbraw/zinc/94/61/05/1187946105.db2.gz KWRFYSGPJMOSHS-GOSISDBHSA-N 2 1 379.549 0.168 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344559 1187946328 /nfs/dbraw/zinc/94/63/28/1187946328.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659344559 1187946329 /nfs/dbraw/zinc/94/63/29/1187946329.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659344559 1187946331 /nfs/dbraw/zinc/94/63/31/1187946331.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344559 1187946332 /nfs/dbraw/zinc/94/63/32/1187946332.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344559 1187946337 /nfs/dbraw/zinc/94/63/37/1187946337.db2.gz FWUFCQZTURBDAW-GOSISDBHSA-N 2 1 379.549 0.166 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000659439888 1187958405 /nfs/dbraw/zinc/95/84/05/1187958405.db2.gz JXWXDEDGSOHZDX-OAHLLOKOSA-N 2 1 377.489 0.755 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659456775 1187961197 /nfs/dbraw/zinc/96/11/97/1187961197.db2.gz SFEOXTMQCKFJNG-WOJBJXKFSA-N 2 1 393.576 0.814 20 0 GCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513457 1187967475 /nfs/dbraw/zinc/96/74/75/1187967475.db2.gz YDFVFQDSZZUXQU-CGTJXYLNSA-N 2 1 378.517 0.251 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000659627271 1187977177 /nfs/dbraw/zinc/97/71/77/1187977177.db2.gz USKWDIQNYYGPDJ-OALUTQOASA-N 2 1 375.517 0.562 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000659627271 1187977179 /nfs/dbraw/zinc/97/71/79/1187977179.db2.gz USKWDIQNYYGPDJ-OALUTQOASA-N 2 1 375.517 0.562 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659632812 1187979200 /nfs/dbraw/zinc/97/92/00/1187979200.db2.gz HXRXDGKRAQUTTJ-GASCZTMLSA-N 2 1 391.520 0.341 20 0 GCADMP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000655468138 1187987449 /nfs/dbraw/zinc/98/74/49/1187987449.db2.gz INDSUBPVWBIRSC-GHTZIAJQSA-N 2 1 391.560 0.073 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1C ZINC000659674333 1187993866 /nfs/dbraw/zinc/99/38/66/1187993866.db2.gz FJKCPJUXZXGBMB-OAHLLOKOSA-N 2 1 376.505 0.341 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677116 1187995240 /nfs/dbraw/zinc/99/52/40/1187995240.db2.gz AGNYZGFQWKVMGR-ZFWWWQNUSA-N 2 1 378.473 0.118 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677116 1187995241 /nfs/dbraw/zinc/99/52/41/1187995241.db2.gz AGNYZGFQWKVMGR-ZFWWWQNUSA-N 2 1 378.473 0.118 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677115 1187995332 /nfs/dbraw/zinc/99/53/32/1187995332.db2.gz AGNYZGFQWKVMGR-UKRRQHHQSA-N 2 1 378.473 0.118 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677115 1187995333 /nfs/dbraw/zinc/99/53/33/1187995333.db2.gz AGNYZGFQWKVMGR-UKRRQHHQSA-N 2 1 378.473 0.118 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415305883 1188028439 /nfs/dbraw/zinc/02/84/39/1188028439.db2.gz KEGQZLRAADNWEL-UHFFFAOYSA-N 2 1 387.484 0.638 20 0 GCADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415312709 1188028913 /nfs/dbraw/zinc/02/89/13/1188028913.db2.gz GVYNQTQUIDBTHJ-GOSISDBHSA-N 2 1 399.495 0.780 20 0 GCADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415312710 1188028961 /nfs/dbraw/zinc/02/89/61/1188028961.db2.gz GVYNQTQUIDBTHJ-SFHVURJKSA-N 2 1 399.495 0.780 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000377483603 1188035322 /nfs/dbraw/zinc/03/53/22/1188035322.db2.gz BGGMODVHHUTUDV-MRXNPFEDSA-N 2 1 393.532 0.726 20 0 GCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000584530786 1188043114 /nfs/dbraw/zinc/04/31/14/1188043114.db2.gz HXKROCDUGYRHFU-IRXDYDNUSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781564 1188047755 /nfs/dbraw/zinc/04/77/55/1188047755.db2.gz CGZVHNYKNLUNQT-ZWKOTPCHSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781564 1188047759 /nfs/dbraw/zinc/04/77/59/1188047759.db2.gz CGZVHNYKNLUNQT-ZWKOTPCHSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781564 1188047763 /nfs/dbraw/zinc/04/77/63/1188047763.db2.gz CGZVHNYKNLUNQT-ZWKOTPCHSA-N 2 1 396.580 0.254 20 0 GCADMP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971335 1188080193 /nfs/dbraw/zinc/08/01/93/1188080193.db2.gz QJKMSIKBOBRXMV-LSDHHAIUSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000892971335 1188080197 /nfs/dbraw/zinc/08/01/97/1188080197.db2.gz QJKMSIKBOBRXMV-LSDHHAIUSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000892971335 1188080203 /nfs/dbraw/zinc/08/02/03/1188080203.db2.gz QJKMSIKBOBRXMV-LSDHHAIUSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971334 1188080650 /nfs/dbraw/zinc/08/06/50/1188080650.db2.gz QJKMSIKBOBRXMV-HUUCEWRRSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971334 1188080657 /nfs/dbraw/zinc/08/06/57/1188080657.db2.gz QJKMSIKBOBRXMV-HUUCEWRRSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971334 1188080661 /nfs/dbraw/zinc/08/06/61/1188080661.db2.gz QJKMSIKBOBRXMV-HUUCEWRRSA-N 2 1 375.521 0.636 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000415602328 1188120334 /nfs/dbraw/zinc/12/03/34/1188120334.db2.gz RFTXRFGLEOLRIV-HLLBOEOZSA-N 2 1 390.484 0.420 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000415602328 1188120337 /nfs/dbraw/zinc/12/03/37/1188120337.db2.gz RFTXRFGLEOLRIV-HLLBOEOZSA-N 2 1 390.484 0.420 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000415604644 1188121913 /nfs/dbraw/zinc/12/19/13/1188121913.db2.gz GIBXHOIYAZMPBO-UHFFFAOYSA-N 2 1 395.454 0.867 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691485 1188136696 /nfs/dbraw/zinc/13/66/96/1188136696.db2.gz VSCLGVGSRRPXPD-JZXOWHBKSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000415671898 1188137934 /nfs/dbraw/zinc/13/79/34/1188137934.db2.gz KLQNVDSBDHAMHE-LVYXFOGZSA-N 2 1 386.496 0.912 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000415671898 1188137935 /nfs/dbraw/zinc/13/79/35/1188137935.db2.gz KLQNVDSBDHAMHE-LVYXFOGZSA-N 2 1 386.496 0.912 20 0 GCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000415708290 1188145944 /nfs/dbraw/zinc/14/59/44/1188145944.db2.gz LBSZEIPIJIVRDY-MRXNPFEDSA-N 2 1 393.919 0.846 20 0 GCADMP CN(C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1)C1C[NH2+]C1 ZINC000415729310 1188153257 /nfs/dbraw/zinc/15/32/57/1188153257.db2.gz BPSOSXYBXMJKBM-MRXNPFEDSA-N 2 1 387.484 0.222 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000472893047 1188162948 /nfs/dbraw/zinc/16/29/48/1188162948.db2.gz AXKDXALNXADZMF-GOSISDBHSA-N 2 1 381.565 0.957 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000415839867 1189376886 /nfs/dbraw/zinc/37/68/86/1189376886.db2.gz FPPQIUSEFCDCHI-AEFFLSMTSA-N 2 1 388.512 0.943 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472915280 1189383991 /nfs/dbraw/zinc/38/39/91/1189383991.db2.gz RKLUVWSTIMBZMB-QZTJIDSGSA-N 2 1 381.565 0.813 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000416031358 1189415799 /nfs/dbraw/zinc/41/57/99/1189415799.db2.gz SRGXASOVSHZZSJ-QGZVFWFLSA-N 2 1 391.516 0.813 20 0 GCADMP C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378313772 1189471191 /nfs/dbraw/zinc/47/11/91/1189471191.db2.gz GULIXYUHUWRJPY-QFBILLFUSA-N 2 1 396.557 0.671 20 0 GCADMP C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378313772 1189471204 /nfs/dbraw/zinc/47/12/04/1189471204.db2.gz GULIXYUHUWRJPY-QFBILLFUSA-N 2 1 396.557 0.671 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccn1 ZINC000378572134 1189538092 /nfs/dbraw/zinc/53/80/92/1189538092.db2.gz BKHQFJIPTSYLDJ-SFHVURJKSA-N 2 1 375.517 0.874 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951918 1189586984 /nfs/dbraw/zinc/58/69/84/1189586984.db2.gz VAIXVNIXVMHMJP-CRAIPNDOSA-N 2 1 377.533 0.665 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951918 1189586985 /nfs/dbraw/zinc/58/69/85/1189586985.db2.gz VAIXVNIXVMHMJP-CRAIPNDOSA-N 2 1 377.533 0.665 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416937113 1189595377 /nfs/dbraw/zinc/59/53/77/1189595377.db2.gz IYLWDTZLZKNMLP-IRXDYDNUSA-N 2 1 383.537 0.372 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@H]1CCC[NH2+]C1 ZINC000416943365 1189596455 /nfs/dbraw/zinc/59/64/55/1189596455.db2.gz FLWCKOOFHVWUAS-QGZVFWFLSA-N 2 1 375.521 0.678 20 0 GCADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963625 1189601025 /nfs/dbraw/zinc/60/10/25/1189601025.db2.gz ZSFAIMIVFFYDBC-OQSMONGASA-N 2 1 387.532 0.804 20 0 GCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000416960747 1189601321 /nfs/dbraw/zinc/60/13/21/1189601321.db2.gz WGXXARTUHAKWKO-OKZBNKHCSA-N 2 1 387.532 0.758 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000416980211 1189604456 /nfs/dbraw/zinc/60/44/56/1189604456.db2.gz YHUWQMZJCZVHQJ-OAHLLOKOSA-N 2 1 383.443 0.856 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000416980209 1189604710 /nfs/dbraw/zinc/60/47/10/1189604710.db2.gz YHUWQMZJCZVHQJ-HNNXBMFYSA-N 2 1 383.443 0.856 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015985 1189607886 /nfs/dbraw/zinc/60/78/86/1189607886.db2.gz HUFRISQLJBBFQV-MOPGFXCFSA-N 2 1 375.517 0.734 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015985 1189607889 /nfs/dbraw/zinc/60/78/89/1189607889.db2.gz HUFRISQLJBBFQV-MOPGFXCFSA-N 2 1 375.517 0.734 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015985 1189607894 /nfs/dbraw/zinc/60/78/94/1189607894.db2.gz HUFRISQLJBBFQV-MOPGFXCFSA-N 2 1 375.517 0.734 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCN2C)[C@H](c2ccccc2)C1 ZINC000417022148 1189608746 /nfs/dbraw/zinc/60/87/46/1189608746.db2.gz NXFPCMVIBZQFTN-UXHICEINSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417022148 1189608748 /nfs/dbraw/zinc/60/87/48/1189608748.db2.gz NXFPCMVIBZQFTN-UXHICEINSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417022148 1189608750 /nfs/dbraw/zinc/60/87/50/1189608750.db2.gz NXFPCMVIBZQFTN-UXHICEINSA-N 2 1 388.560 0.568 20 0 GCADMP C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048365 1189612098 /nfs/dbraw/zinc/61/20/98/1189612098.db2.gz WSPHTVQLITWDCN-PKOBYXMFSA-N 2 1 375.517 0.956 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C[C@H](C)O1 ZINC000417113110 1189618122 /nfs/dbraw/zinc/61/81/22/1189618122.db2.gz MCRVEKPNQPKKAJ-QGWWYQLQSA-N 2 1 376.501 0.675 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C[C@H](C)O1 ZINC000417113110 1189618125 /nfs/dbraw/zinc/61/81/25/1189618125.db2.gz MCRVEKPNQPKKAJ-QGWWYQLQSA-N 2 1 376.501 0.675 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660160526 1189625512 /nfs/dbraw/zinc/62/55/12/1189625512.db2.gz MNRWVHWWXDNMPW-BZSNNMDCSA-N 2 1 379.549 0.166 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660160526 1189625514 /nfs/dbraw/zinc/62/55/14/1189625514.db2.gz MNRWVHWWXDNMPW-BZSNNMDCSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@@H]1C ZINC000660160526 1189625515 /nfs/dbraw/zinc/62/55/15/1189625515.db2.gz MNRWVHWWXDNMPW-BZSNNMDCSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@@H]1C ZINC000660160526 1189625518 /nfs/dbraw/zinc/62/55/18/1189625518.db2.gz MNRWVHWWXDNMPW-BZSNNMDCSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CC([NH3+])C1 ZINC000417166581 1189627151 /nfs/dbraw/zinc/62/71/51/1189627151.db2.gz ULLNNIFBDSMBNY-UHFFFAOYSA-N 2 1 389.500 0.979 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417307894 1189644166 /nfs/dbraw/zinc/64/41/66/1189644166.db2.gz CEOQJZONKFQDPM-APWZRJJASA-N 2 1 387.528 0.930 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795453 1189667600 /nfs/dbraw/zinc/66/76/00/1189667600.db2.gz OWOKZAASYANQBJ-MOPGFXCFSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000584795453 1189667604 /nfs/dbraw/zinc/66/76/04/1189667604.db2.gz OWOKZAASYANQBJ-MOPGFXCFSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000584795453 1189667607 /nfs/dbraw/zinc/66/76/07/1189667607.db2.gz OWOKZAASYANQBJ-MOPGFXCFSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795455 1189668024 /nfs/dbraw/zinc/66/80/24/1189668024.db2.gz OWOKZAASYANQBJ-OALUTQOASA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000584795455 1189668030 /nfs/dbraw/zinc/66/80/30/1189668030.db2.gz OWOKZAASYANQBJ-OALUTQOASA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CN1CC[NH+](C)CC1 ZINC000584795455 1189668032 /nfs/dbraw/zinc/66/80/32/1189668032.db2.gz OWOKZAASYANQBJ-OALUTQOASA-N 2 1 395.592 0.757 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488265 1189672021 /nfs/dbraw/zinc/67/20/21/1189672021.db2.gz CHLAWDUGOCOOHN-RTBURBONSA-N 2 1 377.533 0.899 20 0 GCADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641798619 1189678479 /nfs/dbraw/zinc/67/84/79/1189678479.db2.gz OPEHPDRDIBNSBY-IBGZPJMESA-N 2 1 381.565 0.957 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@H]21 ZINC000584825492 1189682982 /nfs/dbraw/zinc/68/29/82/1189682982.db2.gz AXDRPHZHRDKRSS-RBUKOAKNSA-N 2 1 392.544 0.500 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165363 1189687471 /nfs/dbraw/zinc/68/74/71/1189687471.db2.gz PYSKJTPJTUHALT-IAGOWNOFSA-N 2 1 381.521 0.045 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852932 1189693302 /nfs/dbraw/zinc/69/33/02/1189693302.db2.gz KLBZBLRCZIOOQP-RTBURBONSA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852932 1189693309 /nfs/dbraw/zinc/69/33/09/1189693309.db2.gz KLBZBLRCZIOOQP-RTBURBONSA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852932 1189693312 /nfs/dbraw/zinc/69/33/12/1189693312.db2.gz KLBZBLRCZIOOQP-RTBURBONSA-N 2 1 395.592 0.469 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660257033 1189694329 /nfs/dbraw/zinc/69/43/29/1189694329.db2.gz FSDGXUGFXZXDFA-CEXWTWQISA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C ZINC000660257033 1189694334 /nfs/dbraw/zinc/69/43/34/1189694334.db2.gz FSDGXUGFXZXDFA-CEXWTWQISA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C ZINC000660257033 1189694339 /nfs/dbraw/zinc/69/43/39/1189694339.db2.gz FSDGXUGFXZXDFA-CEXWTWQISA-N 2 1 393.576 0.556 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660257034 1189694477 /nfs/dbraw/zinc/69/44/77/1189694477.db2.gz FSDGXUGFXZXDFA-FHWLQOOXSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@@H]1C ZINC000660257034 1189694481 /nfs/dbraw/zinc/69/44/81/1189694481.db2.gz FSDGXUGFXZXDFA-FHWLQOOXSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@@H]1C ZINC000660257034 1189694484 /nfs/dbraw/zinc/69/44/84/1189694484.db2.gz FSDGXUGFXZXDFA-FHWLQOOXSA-N 2 1 393.576 0.556 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000417669829 1189694672 /nfs/dbraw/zinc/69/46/72/1189694672.db2.gz MYIDGXRPVZEWEV-FHWLQOOXSA-N 2 1 381.565 0.813 20 0 GCADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)CC2)[nH+]c1 ZINC000417725052 1189701231 /nfs/dbraw/zinc/70/12/31/1189701231.db2.gz FQCSRGBPAHOVPH-MRXNPFEDSA-N 2 1 388.516 0.855 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000417758047 1189702261 /nfs/dbraw/zinc/70/22/61/1189702261.db2.gz UOMUNHWRECFZSL-HUUCEWRRSA-N 2 1 394.486 0.005 20 0 GCADMP C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000417739973 1189702576 /nfs/dbraw/zinc/70/25/76/1189702576.db2.gz ZQTZMOZGGBFCML-KBPBESRZSA-N 2 1 381.443 0.090 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000417739984 1189702626 /nfs/dbraw/zinc/70/26/26/1189702626.db2.gz ZQTZMOZGGBFCML-ZIAGYGMSSA-N 2 1 381.443 0.090 20 0 GCADMP COC[C@@]1(CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000417742365 1189702965 /nfs/dbraw/zinc/70/29/65/1189702965.db2.gz KBPKWEBHFVYNGS-XLIONFOSSA-N 2 1 390.532 0.660 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660334995 1189714818 /nfs/dbraw/zinc/71/48/18/1189714818.db2.gz ALDULUUKXKLDER-SFHVURJKSA-N 2 1 395.548 0.530 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000660342454 1189722598 /nfs/dbraw/zinc/72/25/98/1189722598.db2.gz BIVVHASHVTVKOF-AEFFLSMTSA-N 2 1 376.501 0.171 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110602 1189724707 /nfs/dbraw/zinc/72/47/07/1189724707.db2.gz FKCJOKHHPLVUKW-LSDHHAIUSA-N 2 1 395.470 0.623 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119201 1189725415 /nfs/dbraw/zinc/72/54/15/1189725415.db2.gz UOPDWRVDUAYLMC-MSOLQXFVSA-N 2 1 395.548 0.341 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000364329045 1189747064 /nfs/dbraw/zinc/74/70/64/1189747064.db2.gz FDAZVPJZSRMZHC-MOPGFXCFSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCO1 ZINC000364329045 1189747071 /nfs/dbraw/zinc/74/70/71/1189747071.db2.gz FDAZVPJZSRMZHC-MOPGFXCFSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCO1 ZINC000364329045 1189747078 /nfs/dbraw/zinc/74/70/78/1189747078.db2.gz FDAZVPJZSRMZHC-MOPGFXCFSA-N 2 1 381.565 0.909 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418295187 1189751839 /nfs/dbraw/zinc/75/18/39/1189751839.db2.gz HOYUYEZNJOSYOH-RTBURBONSA-N 2 1 375.517 0.074 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418299831 1189752476 /nfs/dbraw/zinc/75/24/76/1189752476.db2.gz OLJLYXNDMXPSRA-UHFFFAOYSA-N 3 1 394.608 0.729 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCN(c4ccccc4C(N)=O)C3)cn2)CC1 ZINC000364399164 1189784463 /nfs/dbraw/zinc/78/44/63/1189784463.db2.gz HMIXZGDBSVCRDI-KRWDZBQOSA-N 2 1 395.511 0.696 20 0 GCADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000660495254 1189856304 /nfs/dbraw/zinc/85/63/04/1189856304.db2.gz FAAGZJJKHBFETK-UHFFFAOYSA-N 2 1 382.549 0.482 20 0 GCADMP C[NH+](C)CCCC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000660495254 1189856312 /nfs/dbraw/zinc/85/63/12/1189856312.db2.gz FAAGZJJKHBFETK-UHFFFAOYSA-N 2 1 382.549 0.482 20 0 GCADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000636567483 1189865281 /nfs/dbraw/zinc/86/52/81/1189865281.db2.gz HFYKTNVMSBUBQD-GOSISDBHSA-N 2 1 379.480 0.314 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000636567483 1189865293 /nfs/dbraw/zinc/86/52/93/1189865293.db2.gz HFYKTNVMSBUBQD-GOSISDBHSA-N 2 1 379.480 0.314 20 0 GCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660507884 1189869675 /nfs/dbraw/zinc/86/96/75/1189869675.db2.gz CFHCKNQTYAFTQY-LJQANCHMSA-N 2 1 395.592 0.805 20 0 GCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660507883 1189869738 /nfs/dbraw/zinc/86/97/38/1189869738.db2.gz CFHCKNQTYAFTQY-IBGZPJMESA-N 2 1 395.592 0.805 20 0 GCADMP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCCC[NH+]1CCN(c3ncccn3)CC1)C2 ZINC000652124423 1189902397 /nfs/dbraw/zinc/90/23/97/1189902397.db2.gz CWSIJTIQJNPINZ-PXNSSMCTSA-N 2 1 387.532 0.759 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652125542 1189902565 /nfs/dbraw/zinc/90/25/65/1189902565.db2.gz XUANIMWEWOGYKI-LNLFQRSKSA-N 2 1 381.565 0.940 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652126998 1189903968 /nfs/dbraw/zinc/90/39/68/1189903968.db2.gz CXSZATFQLFSIAV-GVDBMIGSSA-N 2 1 381.521 0.078 20 0 GCADMP COCC1([NH2+]CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCOCC1 ZINC000660628916 1189918443 /nfs/dbraw/zinc/91/84/43/1189918443.db2.gz DDEZUVFRLISLEL-UHFFFAOYSA-N 2 1 383.533 0.923 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711769 1189939333 /nfs/dbraw/zinc/93/93/33/1189939333.db2.gz GSBJRGUYBFWSQZ-IEBWSBKVSA-N 2 1 379.549 0.707 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711769 1189939336 /nfs/dbraw/zinc/93/93/36/1189939336.db2.gz GSBJRGUYBFWSQZ-IEBWSBKVSA-N 2 1 379.549 0.707 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660828919 1189955515 /nfs/dbraw/zinc/95/55/15/1189955515.db2.gz CFFQMMLEBFGFGO-PKOBYXMFSA-N 2 1 381.565 0.813 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662743371 1190015017 /nfs/dbraw/zinc/01/50/17/1190015017.db2.gz ZADZWUHPJYSZHI-LJQANCHMSA-N 2 1 397.527 0.749 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662743371 1190015021 /nfs/dbraw/zinc/01/50/21/1190015021.db2.gz ZADZWUHPJYSZHI-LJQANCHMSA-N 2 1 397.527 0.749 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC[N@@H+]1CCOC ZINC000661214233 1190016416 /nfs/dbraw/zinc/01/64/16/1190016416.db2.gz WPVMBWCQJPEIQN-QZTJIDSGSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC[N@H+]1CCOC ZINC000661214233 1190016421 /nfs/dbraw/zinc/01/64/21/1190016421.db2.gz WPVMBWCQJPEIQN-QZTJIDSGSA-N 2 1 382.549 0.935 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662757809 1190020776 /nfs/dbraw/zinc/02/07/76/1190020776.db2.gz OBEANMWZZIQAQZ-INIZCTEOSA-N 2 1 386.422 0.647 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)O[C@@H](C(=O)OC)C3)CC2)CC1 ZINC000594373914 1190038426 /nfs/dbraw/zinc/03/84/26/1190038426.db2.gz ZAXMVALYQSPKGZ-CRAIPNDOSA-N 2 1 381.517 0.972 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419228082 1193735385 /nfs/dbraw/zinc/73/53/85/1193735385.db2.gz GHWOGLDUYSDNAS-UKRRQHHQSA-N 2 1 380.514 0.187 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419228082 1193735387 /nfs/dbraw/zinc/73/53/87/1193735387.db2.gz GHWOGLDUYSDNAS-UKRRQHHQSA-N 2 1 380.514 0.187 20 0 GCADMP O=C(NCC[NH+]1CCC(O)CC1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000894110431 1193740953 /nfs/dbraw/zinc/74/09/53/1193740953.db2.gz GRFFWPZKVQSRLK-LJQANCHMSA-N 2 1 376.501 0.509 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419232340 1193742364 /nfs/dbraw/zinc/74/23/64/1193742364.db2.gz UMIJONYREROOOS-RBUKOAKNSA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419232340 1193742367 /nfs/dbraw/zinc/74/23/67/1193742367.db2.gz UMIJONYREROOOS-RBUKOAKNSA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419232340 1193742368 /nfs/dbraw/zinc/74/23/68/1193742368.db2.gz UMIJONYREROOOS-RBUKOAKNSA-N 2 1 385.512 0.935 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419233200 1193743061 /nfs/dbraw/zinc/74/30/61/1193743061.db2.gz VQPUBNBLERPTJN-OGWHTMIXSA-N 2 1 388.512 0.364 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512736437 1193748509 /nfs/dbraw/zinc/74/85/09/1193748509.db2.gz VBKQEKSWIUMIEF-DOTOQJQBSA-N 2 1 396.557 0.942 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433097981 1193750700 /nfs/dbraw/zinc/75/07/00/1193750700.db2.gz QSEALGIMIGAQFR-GOSISDBHSA-N 2 1 396.557 0.969 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433097981 1193750703 /nfs/dbraw/zinc/75/07/03/1193750703.db2.gz QSEALGIMIGAQFR-GOSISDBHSA-N 2 1 396.557 0.969 20 0 GCADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000509796589 1193759333 /nfs/dbraw/zinc/75/93/33/1193759333.db2.gz WDIGOHKPAIMYAK-INIZCTEOSA-N 2 1 391.516 0.318 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000549880155 1193761932 /nfs/dbraw/zinc/76/19/32/1193761932.db2.gz STBXAIVRYWXQSA-SFHVURJKSA-N 2 1 382.549 0.698 20 0 GCADMP CCOC(=O)N1CCC(NC(=O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000051959157 1193773376 /nfs/dbraw/zinc/77/33/76/1193773376.db2.gz NRXOGAIWOWJJIY-UHFFFAOYSA-N 2 1 396.532 0.768 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419264421 1193774764 /nfs/dbraw/zinc/77/47/64/1193774764.db2.gz BCYMQWISVUFNIB-LJQANCHMSA-N 2 1 390.528 0.967 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419269916 1193778181 /nfs/dbraw/zinc/77/81/81/1193778181.db2.gz PUJYRFHMJYWZAF-IBGZPJMESA-N 2 1 388.512 0.593 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000512813963 1193778305 /nfs/dbraw/zinc/77/83/05/1193778305.db2.gz KLJOVYUDHRWBJD-IBGZPJMESA-N 2 1 381.565 0.646 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000549882901 1193781341 /nfs/dbraw/zinc/78/13/41/1193781341.db2.gz KHJKBWZQBYKHKM-UHFFFAOYSA-N 2 1 380.533 0.738 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCCOCC1 ZINC000458835056 1193790994 /nfs/dbraw/zinc/79/09/94/1193790994.db2.gz CGROBUAYAQIYCK-OAQYLSRUSA-N 2 1 390.528 0.987 20 0 GCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458835056 1193790996 /nfs/dbraw/zinc/79/09/96/1193790996.db2.gz CGROBUAYAQIYCK-OAQYLSRUSA-N 2 1 390.528 0.987 20 0 GCADMP CN(C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458835056 1193791002 /nfs/dbraw/zinc/79/10/02/1193791002.db2.gz CGROBUAYAQIYCK-OAQYLSRUSA-N 2 1 390.528 0.987 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000419305332 1193797367 /nfs/dbraw/zinc/79/73/67/1193797367.db2.gz WLPQWVHMUDVYJS-KRWDZBQOSA-N 2 1 376.501 0.449 20 0 GCADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000419305093 1193799370 /nfs/dbraw/zinc/79/93/70/1193799370.db2.gz WESHIKMPVLKPBS-MSOLQXFVSA-N 2 1 385.468 0.578 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120749 1193812932 /nfs/dbraw/zinc/81/29/32/1193812932.db2.gz IDRNMTDWCVXEOM-RDJZCZTQSA-N 2 1 386.562 0.510 20 0 GCADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)CN1CC[NH+](C)CC1 ZINC000433408444 1193827609 /nfs/dbraw/zinc/82/76/09/1193827609.db2.gz BXPUGODYTOLPTA-LJQANCHMSA-N 2 1 394.608 0.539 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000419346693 1193840971 /nfs/dbraw/zinc/84/09/71/1193840971.db2.gz VSNABJNCAMBVMT-MRXNPFEDSA-N 2 1 375.517 0.246 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CCC[NH2+]C)cc2)CC1 ZINC000419345309 1193843593 /nfs/dbraw/zinc/84/35/93/1193843593.db2.gz TWIYWZUJOWBENU-UHFFFAOYSA-N 2 1 389.544 0.508 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000419349979 1193845404 /nfs/dbraw/zinc/84/54/04/1193845404.db2.gz YWJGBZZJWZHAAB-KRWDZBQOSA-N 2 1 387.528 0.248 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857526 /nfs/dbraw/zinc/85/75/26/1193857526.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857531 /nfs/dbraw/zinc/85/75/31/1193857531.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857534 /nfs/dbraw/zinc/85/75/34/1193857534.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857539 /nfs/dbraw/zinc/85/75/39/1193857539.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131506 1193857542 /nfs/dbraw/zinc/85/75/42/1193857542.db2.gz ZSGGPXJPIMEEQX-LPHOPBHVSA-N 3 1 379.549 0.396 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419364765 1193866567 /nfs/dbraw/zinc/86/65/67/1193866567.db2.gz WWADORRZLNHKGF-UHFFFAOYSA-N 2 1 390.532 0.153 20 0 GCADMP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000129145620 1193874302 /nfs/dbraw/zinc/87/43/02/1193874302.db2.gz PQYBLLJYUIMZRM-UHFFFAOYSA-N 2 1 388.512 0.958 20 0 GCADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576415584 1193875278 /nfs/dbraw/zinc/87/52/78/1193875278.db2.gz IQAMMIPILPOCFR-RTBURBONSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576415584 1193875282 /nfs/dbraw/zinc/87/52/82/1193875282.db2.gz IQAMMIPILPOCFR-RTBURBONSA-N 2 1 394.560 0.938 20 0 GCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000419385702 1193896064 /nfs/dbraw/zinc/89/60/64/1193896064.db2.gz AUNPTZLLBFCZDA-SFHVURJKSA-N 2 1 390.553 0.918 20 0 GCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000419385702 1193896070 /nfs/dbraw/zinc/89/60/70/1193896070.db2.gz AUNPTZLLBFCZDA-SFHVURJKSA-N 2 1 390.553 0.918 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCN1 ZINC000419388972 1193900349 /nfs/dbraw/zinc/90/03/49/1193900349.db2.gz KUYIPRSWESLTEI-RRQGHBQHSA-N 2 1 394.903 0.648 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCN1 ZINC000419388971 1193900427 /nfs/dbraw/zinc/90/04/27/1193900427.db2.gz KUYIPRSWESLTEI-KBRIMQKVSA-N 2 1 394.903 0.648 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549926672 1193902197 /nfs/dbraw/zinc/90/21/97/1193902197.db2.gz DQVYGNTVSNYFAM-IEBWSBKVSA-N 2 1 390.528 0.850 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549926672 1193902201 /nfs/dbraw/zinc/90/22/01/1193902201.db2.gz DQVYGNTVSNYFAM-IEBWSBKVSA-N 2 1 390.528 0.850 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)CC1=O ZINC000261669997 1193922787 /nfs/dbraw/zinc/92/27/87/1193922787.db2.gz GIABROIVONWCCN-BRWVUGGUSA-N 2 1 388.516 0.226 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)CC1=O ZINC000261669997 1193922788 /nfs/dbraw/zinc/92/27/88/1193922788.db2.gz GIABROIVONWCCN-BRWVUGGUSA-N 2 1 388.516 0.226 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261878678 1193929839 /nfs/dbraw/zinc/92/98/39/1193929839.db2.gz UJVBKBGQQCTQBF-PBHICJAKSA-N 2 1 376.457 0.528 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1=O ZINC000261928717 1193931924 /nfs/dbraw/zinc/93/19/24/1193931924.db2.gz JLGATHYQOSZCDM-GUDVDZBRSA-N 2 1 385.512 0.887 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1=O ZINC000261928717 1193931926 /nfs/dbraw/zinc/93/19/26/1193931926.db2.gz JLGATHYQOSZCDM-GUDVDZBRSA-N 2 1 385.512 0.887 20 0 GCADMP COCC1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262425112 1193947727 /nfs/dbraw/zinc/94/77/27/1193947727.db2.gz VPGUJIACBNOMMB-UHFFFAOYSA-N 2 1 388.512 0.463 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549937088 1193954689 /nfs/dbraw/zinc/95/46/89/1193954689.db2.gz RVGUDZUKCOBSOY-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513474829 1193955348 /nfs/dbraw/zinc/95/53/48/1193955348.db2.gz HRYAUJHWXFHSEN-HOTGVXAUSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664205973 1193959215 /nfs/dbraw/zinc/95/92/15/1193959215.db2.gz HZZFRDXXMNSRLS-WNHJNPCNSA-N 2 1 376.501 0.592 20 0 GCADMP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664205973 1193959218 /nfs/dbraw/zinc/95/92/18/1193959218.db2.gz HZZFRDXXMNSRLS-WNHJNPCNSA-N 2 1 376.501 0.592 20 0 GCADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000458843114 1193960854 /nfs/dbraw/zinc/96/08/54/1193960854.db2.gz MMWCEEUTOZHMLB-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000458843114 1193960855 /nfs/dbraw/zinc/96/08/55/1193960855.db2.gz MMWCEEUTOZHMLB-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000458843114 1193960857 /nfs/dbraw/zinc/96/08/57/1193960857.db2.gz MMWCEEUTOZHMLB-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531520 1193961356 /nfs/dbraw/zinc/96/13/56/1193961356.db2.gz WQYWLFMKHWAVHW-LPHOPBHVSA-N 2 1 398.573 0.941 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531520 1193961358 /nfs/dbraw/zinc/96/13/58/1193961358.db2.gz WQYWLFMKHWAVHW-LPHOPBHVSA-N 2 1 398.573 0.941 20 0 GCADMP CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466943545 1194011843 /nfs/dbraw/zinc/01/18/43/1194011843.db2.gz PQMKBCQZHQRHEO-ROUUACIJSA-N 2 1 388.516 0.693 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CCN1 ZINC000419404526 1194020986 /nfs/dbraw/zinc/02/09/86/1194020986.db2.gz TXMQTSLOBPGRDR-DOTOQJQBSA-N 2 1 376.526 0.541 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419406440 1194021938 /nfs/dbraw/zinc/02/19/38/1194021938.db2.gz WVMXMQQQLLOYCZ-WDSOQIARSA-N 2 1 388.512 0.508 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419420147 1194023599 /nfs/dbraw/zinc/02/35/99/1194023599.db2.gz MLFVDAQJBUTBQM-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421329 1194023719 /nfs/dbraw/zinc/02/37/19/1194023719.db2.gz VJWRNKAWMSZARR-SZMVWBNQSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421329 1194023723 /nfs/dbraw/zinc/02/37/23/1194023723.db2.gz VJWRNKAWMSZARR-SZMVWBNQSA-N 2 1 376.501 0.636 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419421003 1194024051 /nfs/dbraw/zinc/02/40/51/1194024051.db2.gz OECMRPLBQLSSEF-IBGZPJMESA-N 2 1 387.528 0.179 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424767 1194025848 /nfs/dbraw/zinc/02/58/48/1194025848.db2.gz URIJZWRCRNDJAS-OALUTQOASA-N 2 1 387.528 0.431 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424767 1194025850 /nfs/dbraw/zinc/02/58/50/1194025850.db2.gz URIJZWRCRNDJAS-OALUTQOASA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424767 1194025853 /nfs/dbraw/zinc/02/58/53/1194025853.db2.gz URIJZWRCRNDJAS-OALUTQOASA-N 2 1 387.528 0.431 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419425119 1194026538 /nfs/dbraw/zinc/02/65/38/1194026538.db2.gz VAUWZKIVANLEHM-KRWDZBQOSA-N 2 1 375.517 0.116 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413546 1194030684 /nfs/dbraw/zinc/03/06/84/1194030684.db2.gz KZRBGVOGLYDLDM-FHWLQOOXSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413546 1194030687 /nfs/dbraw/zinc/03/06/87/1194030687.db2.gz KZRBGVOGLYDLDM-FHWLQOOXSA-N 2 1 388.512 0.636 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000419414263 1194031633 /nfs/dbraw/zinc/03/16/33/1194031633.db2.gz GMFLLWFSOBUVGT-HSALFYBXSA-N 2 1 399.539 0.159 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H](c2ccccc2)C1 ZINC000419414263 1194031640 /nfs/dbraw/zinc/03/16/40/1194031640.db2.gz GMFLLWFSOBUVGT-HSALFYBXSA-N 2 1 399.539 0.159 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416253 1194032064 /nfs/dbraw/zinc/03/20/64/1194032064.db2.gz OMIRGMJWLCGNCJ-QYZOEREBSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416253 1194032069 /nfs/dbraw/zinc/03/20/69/1194032069.db2.gz OMIRGMJWLCGNCJ-QYZOEREBSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419417752 1194032360 /nfs/dbraw/zinc/03/23/60/1194032360.db2.gz QCQSHVYKUXNVRE-GBESFXJTSA-N 2 1 388.512 0.589 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419417752 1194032367 /nfs/dbraw/zinc/03/23/67/1194032367.db2.gz QCQSHVYKUXNVRE-GBESFXJTSA-N 2 1 388.512 0.589 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416251 1194032650 /nfs/dbraw/zinc/03/26/50/1194032650.db2.gz OMIRGMJWLCGNCJ-GBESFXJTSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416251 1194032656 /nfs/dbraw/zinc/03/26/56/1194032656.db2.gz OMIRGMJWLCGNCJ-GBESFXJTSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419455816 1194032852 /nfs/dbraw/zinc/03/28/52/1194032852.db2.gz YFFDEAKXDNLNEB-SCTDSRPQSA-N 2 1 385.512 0.134 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000419445694 1194035688 /nfs/dbraw/zinc/03/56/88/1194035688.db2.gz FBQXQFPRVNGGOO-KZNAEPCWSA-N 2 1 387.528 0.557 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419451847 1194036903 /nfs/dbraw/zinc/03/69/03/1194036903.db2.gz NZVGOGIDJNMAFE-QRVBRYPASA-N 2 1 399.539 0.381 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419452405 1194037473 /nfs/dbraw/zinc/03/74/73/1194037473.db2.gz PIMXXZTVTFWGCC-QZTJIDSGSA-N 2 1 389.544 0.947 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419453844 1194037915 /nfs/dbraw/zinc/03/79/15/1194037915.db2.gz SJYBIJDPQOCONV-LAUBAEHRSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419480884 1194040695 /nfs/dbraw/zinc/04/06/95/1194040695.db2.gz NSUWMOALMNTTKX-IRXDYDNUSA-N 2 1 395.548 0.071 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419482507 1194041151 /nfs/dbraw/zinc/04/11/51/1194041151.db2.gz QKKWDFZPZLINAY-XMTFNYHQSA-N 2 1 382.549 0.825 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419510926 1194044312 /nfs/dbraw/zinc/04/43/12/1194044312.db2.gz UQZATDBOWJWIKV-IEBWSBKVSA-N 2 1 387.528 0.653 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501239 1194045872 /nfs/dbraw/zinc/04/58/72/1194045872.db2.gz AZCQAICUWXVDLA-MOPGFXCFSA-N 2 1 388.512 0.857 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501240 1194046087 /nfs/dbraw/zinc/04/60/87/1194046087.db2.gz AZCQAICUWXVDLA-OALUTQOASA-N 2 1 388.512 0.857 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504964 1194046617 /nfs/dbraw/zinc/04/66/17/1194046617.db2.gz LBHBUBHHNIFXKD-FGTMMUONSA-N 2 1 387.528 0.570 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505650 1194047536 /nfs/dbraw/zinc/04/75/36/1194047536.db2.gz MEEIEYMJUWUDAP-SJORKVTESA-N 2 1 375.517 0.285 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506798 1194047555 /nfs/dbraw/zinc/04/75/55/1194047555.db2.gz NVXGPJPHHZMDGM-GCJKJVERSA-N 2 1 399.539 0.525 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000419533828 1194049974 /nfs/dbraw/zinc/04/99/74/1194049974.db2.gz JFFIIQUDFPABSW-ZWKOTPCHSA-N 2 1 376.501 0.762 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419532456 1194050475 /nfs/dbraw/zinc/05/04/75/1194050475.db2.gz MTTNGCSPCVJYCL-FZCLSBEQSA-N 2 1 388.512 0.852 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513305 1194050921 /nfs/dbraw/zinc/05/09/21/1194050921.db2.gz ZDDGJRDADJIPAO-CEXWTWQISA-N 2 1 399.539 0.381 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@@H](C)C[N@H+]1CCO ZINC000419514681 1194051627 /nfs/dbraw/zinc/05/16/27/1194051627.db2.gz PJKCCESUGOMXCA-CVEARBPZSA-N 2 1 379.505 0.619 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000419515288 1194051845 /nfs/dbraw/zinc/05/18/45/1194051845.db2.gz RCDUEFMVZGICAM-BRWVUGGUSA-N 2 1 392.500 0.806 20 0 GCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+]2CCCC2)o1 ZINC000419516753 1194052232 /nfs/dbraw/zinc/05/22/32/1194052232.db2.gz UWJDNORSGGLPNL-HZPDHXFCSA-N 2 1 378.473 0.336 20 0 GCADMP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C ZINC000419556895 1194058662 /nfs/dbraw/zinc/05/86/62/1194058662.db2.gz LCSJODKWPAQBQI-XHSDSOJGSA-N 2 1 393.557 0.989 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000419581543 1194060284 /nfs/dbraw/zinc/06/02/84/1194060284.db2.gz IKBLTCQIMPHODJ-CCKFTAQKSA-N 2 1 388.512 0.856 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419650977 1194076982 /nfs/dbraw/zinc/07/69/82/1194076982.db2.gz DDOQJCRTIHIWKX-NZSAHSFTSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419650974 1194077119 /nfs/dbraw/zinc/07/71/19/1194077119.db2.gz DDOQJCRTIHIWKX-BHIYHBOVSA-N 2 1 388.512 0.732 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419713667 1194090927 /nfs/dbraw/zinc/09/09/27/1194090927.db2.gz WMNQEHJFPUYINC-WZGPROSRSA-N 2 1 388.512 0.730 20 0 GCADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000419726016 1194094149 /nfs/dbraw/zinc/09/41/49/1194094149.db2.gz TYSFYPDOJHKODE-SFHVURJKSA-N 2 1 376.501 0.765 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@@H](C)O1 ZINC000419805783 1194107357 /nfs/dbraw/zinc/10/73/57/1194107357.db2.gz DVPMIAKUVLPOFW-CLCXKQKWSA-N 2 1 388.512 0.766 20 0 GCADMP C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419818102 1194109255 /nfs/dbraw/zinc/10/92/55/1194109255.db2.gz LDJIUZLHDWLYPR-BZUAXINKSA-N 2 1 376.501 0.636 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824206 1194110570 /nfs/dbraw/zinc/11/05/70/1194110570.db2.gz MMAXPRCTAADPCP-IRXDYDNUSA-N 2 1 381.565 0.271 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419809970 1194112063 /nfs/dbraw/zinc/11/20/63/1194112063.db2.gz GSVPUFLQTIVVFV-JTDSTZFVSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419809970 1194112066 /nfs/dbraw/zinc/11/20/66/1194112066.db2.gz GSVPUFLQTIVVFV-JTDSTZFVSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@@H](C)O1 ZINC000419812020 1194112523 /nfs/dbraw/zinc/11/25/23/1194112523.db2.gz HTYFIXYQLDANGR-GVDBMIGSSA-N 2 1 388.512 0.732 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCCO1 ZINC000419815121 1194113035 /nfs/dbraw/zinc/11/30/35/1194113035.db2.gz KTUOJGHMCBDICW-HOTGVXAUSA-N 2 1 378.473 0.499 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833119 1194116442 /nfs/dbraw/zinc/11/64/42/1194116442.db2.gz SJTSCQDTFOKUMP-FUHWJXTLSA-N 2 1 381.565 0.400 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833120 1194116620 /nfs/dbraw/zinc/11/66/20/1194116620.db2.gz SJTSCQDTFOKUMP-SJLPKXTDSA-N 2 1 381.565 0.400 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000419834928 1194117208 /nfs/dbraw/zinc/11/72/08/1194117208.db2.gz XVIJFQHLAKJKBX-TXPKVOOTSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419839820 1194118439 /nfs/dbraw/zinc/11/84/39/1194118439.db2.gz BYOOIYOZAWINIR-CALCHBBNSA-N 2 1 394.560 0.983 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419864338 1194125189 /nfs/dbraw/zinc/12/51/89/1194125189.db2.gz IMXMYXCSVUAHHG-LJQANCHMSA-N 2 1 387.528 0.036 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1)CC1CC1 ZINC000419883314 1194131621 /nfs/dbraw/zinc/13/16/21/1194131621.db2.gz MVEYYFVFBVNWAE-UHFFFAOYSA-N 2 1 393.576 0.368 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000419887866 1194133517 /nfs/dbraw/zinc/13/35/17/1194133517.db2.gz JMNVIXITNAFADL-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419904106 1194137412 /nfs/dbraw/zinc/13/74/12/1194137412.db2.gz PJKZIGRBIFAYFP-NZSAHSFTSA-N 3 1 393.576 0.650 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419913637 1194138121 /nfs/dbraw/zinc/13/81/21/1194138121.db2.gz PJKZIGRBIFAYFP-WDSOQIARSA-N 3 1 393.576 0.650 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419918604 1194138606 /nfs/dbraw/zinc/13/86/06/1194138606.db2.gz UQFIOVODNWPJLR-KRWDZBQOSA-N 2 1 388.512 0.845 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419918604 1194138609 /nfs/dbraw/zinc/13/86/09/1194138609.db2.gz UQFIOVODNWPJLR-KRWDZBQOSA-N 2 1 388.512 0.845 20 0 GCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419920684 1194139239 /nfs/dbraw/zinc/13/92/39/1194139239.db2.gz WYAVHURZWSBRJZ-AWEZNQCLSA-N 2 1 394.438 0.215 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000419930663 1194140599 /nfs/dbraw/zinc/14/05/99/1194140599.db2.gz OKSGXJHUXHXEGL-ZWKOTPCHSA-N 2 1 376.501 0.762 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000419930663 1194140602 /nfs/dbraw/zinc/14/06/02/1194140602.db2.gz OKSGXJHUXHXEGL-ZWKOTPCHSA-N 2 1 376.501 0.762 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933450 1194144528 /nfs/dbraw/zinc/14/45/28/1194144528.db2.gz GZBGPNKHVIVQGA-WIYYLYMNSA-N 2 1 388.512 0.340 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000419935793 1194145168 /nfs/dbraw/zinc/14/51/68/1194145168.db2.gz SSIDTNZWRFSRDJ-ZAWLATJESA-N 2 1 388.512 0.903 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419939863 1194145853 /nfs/dbraw/zinc/14/58/53/1194145853.db2.gz YWFFFEFJPCFJJA-SFHVURJKSA-N 2 1 375.517 0.287 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419939863 1194145858 /nfs/dbraw/zinc/14/58/58/1194145858.db2.gz YWFFFEFJPCFJJA-SFHVURJKSA-N 3 1 375.517 0.287 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419942561 1194146464 /nfs/dbraw/zinc/14/64/64/1194146464.db2.gz GCFRTUGJMKJBHD-OXQOHEQNSA-N 2 1 376.501 0.054 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419960517 1194147939 /nfs/dbraw/zinc/14/79/39/1194147939.db2.gz WGAFXBDYQDYCJI-SJLPKXTDSA-N 2 1 375.517 0.866 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419964238 1194148415 /nfs/dbraw/zinc/14/84/15/1194148415.db2.gz WZODVKCWBZBCON-NXHRZFHOSA-N 2 1 381.565 0.493 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CCOC ZINC000419962920 1194148542 /nfs/dbraw/zinc/14/85/42/1194148542.db2.gz HJMZOMGTWLSSPL-ROUUACIJSA-N 2 1 382.549 0.970 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1CCOC ZINC000419962920 1194148546 /nfs/dbraw/zinc/14/85/46/1194148546.db2.gz HJMZOMGTWLSSPL-ROUUACIJSA-N 2 1 382.549 0.970 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972848 1194150097 /nfs/dbraw/zinc/15/00/97/1194150097.db2.gz ZTPNXRCZCGOHEZ-MAUKXSAKSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980140 1194151406 /nfs/dbraw/zinc/15/14/06/1194151406.db2.gz QLVAZZUQWQGOGE-XDNAFOTISA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980140 1194151410 /nfs/dbraw/zinc/15/14/10/1194151410.db2.gz QLVAZZUQWQGOGE-XDNAFOTISA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419991725 1194153777 /nfs/dbraw/zinc/15/37/77/1194153777.db2.gz HCYYXUZMOYWINA-CYBMUJFWSA-N 2 1 382.427 0.199 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419991687 1194153962 /nfs/dbraw/zinc/15/39/62/1194153962.db2.gz HBLYWEWROGUFBG-SOLBZPMBSA-N 2 1 398.548 0.203 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419991687 1194153965 /nfs/dbraw/zinc/15/39/65/1194153965.db2.gz HBLYWEWROGUFBG-SOLBZPMBSA-N 2 1 398.548 0.203 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)c1cc(C(N)=O)nc(N(C)C[C@H]2CCC[NH+]2C)n1 ZINC000894246958 1194156411 /nfs/dbraw/zinc/15/64/11/1194156411.db2.gz BAWORIQHFRNXER-HUUCEWRRSA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)c1cc(C(N)=O)nc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000894246958 1194156417 /nfs/dbraw/zinc/15/64/17/1194156417.db2.gz BAWORIQHFRNXER-HUUCEWRRSA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)c1cc(C(N)=O)nc(N(C)C[C@H]2CCC[N@H+]2C)n1 ZINC000894246958 1194156422 /nfs/dbraw/zinc/15/64/22/1194156422.db2.gz BAWORIQHFRNXER-HUUCEWRRSA-N 2 1 375.521 0.636 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC[N@@H+]1CCOC ZINC000420034216 1194160664 /nfs/dbraw/zinc/16/06/64/1194160664.db2.gz JEAJMMLAWVQQKA-OAGGEKHMSA-N 2 1 384.521 0.175 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC[N@H+]1CCOC ZINC000420034216 1194160670 /nfs/dbraw/zinc/16/06/70/1194160670.db2.gz JEAJMMLAWVQQKA-OAGGEKHMSA-N 2 1 384.521 0.175 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC[N@@H+]1CCOC ZINC000420034215 1194160831 /nfs/dbraw/zinc/16/08/31/1194160831.db2.gz JEAJMMLAWVQQKA-BZUAXINKSA-N 2 1 384.521 0.175 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC[N@H+]1CCOC ZINC000420034215 1194160832 /nfs/dbraw/zinc/16/08/32/1194160832.db2.gz JEAJMMLAWVQQKA-BZUAXINKSA-N 2 1 384.521 0.175 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420089154 1194172224 /nfs/dbraw/zinc/17/22/24/1194172224.db2.gz JFNBYRUEDHBRKS-IYBDPMFKSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)C[C@H](C)O1 ZINC000420109877 1194181353 /nfs/dbraw/zinc/18/13/53/1194181353.db2.gz FEGAAMJMSXSXOC-VXIBKDFQSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420133990 1194184296 /nfs/dbraw/zinc/18/42/96/1194184296.db2.gz DPILEYPXLWBUDG-CALCHBBNSA-N 2 1 392.544 0.760 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000420132157 1194189954 /nfs/dbraw/zinc/18/99/54/1194189954.db2.gz AJTBSLFTHHKBCG-UHFFFAOYSA-N 2 1 386.496 0.765 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000420132157 1194189957 /nfs/dbraw/zinc/18/99/57/1194189957.db2.gz AJTBSLFTHHKBCG-UHFFFAOYSA-N 2 1 386.496 0.765 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420132190 1194190098 /nfs/dbraw/zinc/19/00/98/1194190098.db2.gz AMQGSFKFTFAYPD-LJQANCHMSA-N 2 1 385.512 0.930 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420157217 1194190387 /nfs/dbraw/zinc/19/03/87/1194190387.db2.gz GEGOGPGCHNPGIX-IRXDYDNUSA-N 2 1 382.549 0.840 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420157217 1194190389 /nfs/dbraw/zinc/19/03/89/1194190389.db2.gz GEGOGPGCHNPGIX-IRXDYDNUSA-N 2 1 382.549 0.840 20 0 GCADMP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154856 1194194945 /nfs/dbraw/zinc/19/49/45/1194194945.db2.gz SOVJTSIWHBGIKI-OAHLLOKOSA-N 2 1 383.443 0.605 20 0 GCADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154856 1194194948 /nfs/dbraw/zinc/19/49/48/1194194948.db2.gz SOVJTSIWHBGIKI-OAHLLOKOSA-N 2 1 383.443 0.605 20 0 GCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420181102 1194197251 /nfs/dbraw/zinc/19/72/51/1194197251.db2.gz DESRJTQJNBDUDA-GOSISDBHSA-N 2 1 380.533 0.596 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000420181105 1194197286 /nfs/dbraw/zinc/19/72/86/1194197286.db2.gz DESRJTQJNBDUDA-SFHVURJKSA-N 2 1 380.533 0.596 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589394 1194197599 /nfs/dbraw/zinc/19/75/99/1194197599.db2.gz PAGHOKQTXNDBQU-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420184718 1194198203 /nfs/dbraw/zinc/19/82/03/1194198203.db2.gz BAQYTMTTZRHGLT-ROUUACIJSA-N 2 1 382.549 0.827 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000420185409 1194198471 /nfs/dbraw/zinc/19/84/71/1194198471.db2.gz PMRTXOSAAXXYBK-UHFFFAOYSA-N 2 1 376.501 0.462 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000420185409 1194198477 /nfs/dbraw/zinc/19/84/77/1194198477.db2.gz PMRTXOSAAXXYBK-UHFFFAOYSA-N 2 1 376.501 0.462 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420166638 1194198840 /nfs/dbraw/zinc/19/88/40/1194198840.db2.gz IYTDQPAICBXGKA-OAHLLOKOSA-N 2 1 383.443 0.605 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420166638 1194198842 /nfs/dbraw/zinc/19/88/42/1194198842.db2.gz IYTDQPAICBXGKA-OAHLLOKOSA-N 2 1 383.443 0.605 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164445 1194198975 /nfs/dbraw/zinc/19/89/75/1194198975.db2.gz LYPVRBYDMBLUEP-RDJZCZTQSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@H](C)O1 ZINC000420173630 1194201259 /nfs/dbraw/zinc/20/12/59/1194201259.db2.gz VQGWWHIYKWVPTJ-SFNKJDCFSA-N 2 1 394.560 0.981 20 0 GCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420192431 1194207535 /nfs/dbraw/zinc/20/75/35/1194207535.db2.gz BFCVQNXVKNMWMZ-LJQANCHMSA-N 2 1 388.512 0.462 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501595716 1194207879 /nfs/dbraw/zinc/20/78/79/1194207879.db2.gz HEICCQYDWMHLRO-LPHOPBHVSA-N 2 1 392.544 0.737 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CCOC ZINC000501599281 1194208805 /nfs/dbraw/zinc/20/88/05/1194208805.db2.gz QDVRSBGTACGQTA-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CCOC ZINC000501599281 1194208809 /nfs/dbraw/zinc/20/88/09/1194208809.db2.gz QDVRSBGTACGQTA-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599281 1194208812 /nfs/dbraw/zinc/20/88/12/1194208812.db2.gz QDVRSBGTACGQTA-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599281 1194208816 /nfs/dbraw/zinc/20/88/16/1194208816.db2.gz QDVRSBGTACGQTA-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501617840 1194214699 /nfs/dbraw/zinc/21/46/99/1194214699.db2.gz YZKTVZNOKOKJFU-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420219662 1194215058 /nfs/dbraw/zinc/21/50/58/1194215058.db2.gz YWATTYGCXJZTPJ-XDNAFOTISA-N 2 1 379.549 0.247 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420219667 1194215157 /nfs/dbraw/zinc/21/51/57/1194215157.db2.gz YWATTYGCXJZTPJ-XWTMOSNGSA-N 2 1 379.549 0.247 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420219660 1194215215 /nfs/dbraw/zinc/21/52/15/1194215215.db2.gz YWATTYGCXJZTPJ-MHORFTMASA-N 2 1 379.549 0.247 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501636260 1194217148 /nfs/dbraw/zinc/21/71/48/1194217148.db2.gz HTYGJOMLYQZUHV-SFHVURJKSA-N 2 1 394.560 0.672 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501636260 1194217152 /nfs/dbraw/zinc/21/71/52/1194217152.db2.gz HTYGJOMLYQZUHV-SFHVURJKSA-N 2 1 394.560 0.672 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501636260 1194217155 /nfs/dbraw/zinc/21/71/55/1194217155.db2.gz HTYGJOMLYQZUHV-SFHVURJKSA-N 2 1 394.560 0.672 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000501639680 1194217270 /nfs/dbraw/zinc/21/72/70/1194217270.db2.gz OBENJSRNZQGXIG-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000501639680 1194217276 /nfs/dbraw/zinc/21/72/76/1194217276.db2.gz OBENJSRNZQGXIG-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639680 1194217279 /nfs/dbraw/zinc/21/72/79/1194217279.db2.gz OBENJSRNZQGXIG-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639680 1194217283 /nfs/dbraw/zinc/21/72/83/1194217283.db2.gz OBENJSRNZQGXIG-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420348376 1194222712 /nfs/dbraw/zinc/22/27/12/1194222712.db2.gz LEGIPYHYINMLMX-AWEZNQCLSA-N 2 1 375.429 0.043 20 0 GCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420348376 1194222716 /nfs/dbraw/zinc/22/27/16/1194222716.db2.gz LEGIPYHYINMLMX-AWEZNQCLSA-N 2 1 375.429 0.043 20 0 GCADMP [NH3+]CC1(O)CC[NH+](CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000420404852 1194228617 /nfs/dbraw/zinc/22/86/17/1194228617.db2.gz OBUIPADJPJPPTR-UHFFFAOYSA-N 2 1 375.391 0.986 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000501827336 1194232516 /nfs/dbraw/zinc/23/25/16/1194232516.db2.gz KPHWRQWMBIZOOF-UWVAXJGDSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000501827336 1194232520 /nfs/dbraw/zinc/23/25/20/1194232520.db2.gz KPHWRQWMBIZOOF-UWVAXJGDSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C)C1 ZINC000501827336 1194232521 /nfs/dbraw/zinc/23/25/21/1194232521.db2.gz KPHWRQWMBIZOOF-UWVAXJGDSA-N 2 1 390.528 0.850 20 0 GCADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000420610533 1194247556 /nfs/dbraw/zinc/24/75/56/1194247556.db2.gz KRYJGWRBVHYNIU-UHFFFAOYSA-N 2 1 382.530 0.477 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000420813428 1194266382 /nfs/dbraw/zinc/26/63/82/1194266382.db2.gz HHUYMSOROQMYSB-RDJZCZTQSA-N 2 1 376.501 0.967 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000420813428 1194266387 /nfs/dbraw/zinc/26/63/87/1194266387.db2.gz HHUYMSOROQMYSB-RDJZCZTQSA-N 2 1 376.501 0.967 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000420813426 1194266587 /nfs/dbraw/zinc/26/65/87/1194266587.db2.gz HHUYMSOROQMYSB-NVXWUHKLSA-N 2 1 376.501 0.967 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000420813426 1194266591 /nfs/dbraw/zinc/26/65/91/1194266591.db2.gz HHUYMSOROQMYSB-NVXWUHKLSA-N 2 1 376.501 0.967 20 0 GCADMP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000421125055 1194296769 /nfs/dbraw/zinc/29/67/69/1194296769.db2.gz GONHZRRHRPTCNV-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000421125055 1194296773 /nfs/dbraw/zinc/29/67/73/1194296773.db2.gz GONHZRRHRPTCNV-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000421125055 1194296778 /nfs/dbraw/zinc/29/67/78/1194296778.db2.gz GONHZRRHRPTCNV-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000421125055 1194296782 /nfs/dbraw/zinc/29/67/82/1194296782.db2.gz GONHZRRHRPTCNV-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000421125055 1194296787 /nfs/dbraw/zinc/29/67/87/1194296787.db2.gz GONHZRRHRPTCNV-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000421292095 1194323439 /nfs/dbraw/zinc/32/34/39/1194323439.db2.gz AAHWEYCZXUCTEP-LJQANCHMSA-N 2 1 387.528 0.925 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000422123201 1194396662 /nfs/dbraw/zinc/39/66/62/1194396662.db2.gz XPCWBQDPQMZLOP-LJQANCHMSA-N 2 1 393.576 0.558 20 0 GCADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000503183808 1194403782 /nfs/dbraw/zinc/40/37/82/1194403782.db2.gz WGPXZEFTHINCSK-RTBURBONSA-N 2 1 395.592 0.709 20 0 GCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958039 1194411752 /nfs/dbraw/zinc/41/17/52/1194411752.db2.gz XLXSLAFMBUWJER-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958039 1194411755 /nfs/dbraw/zinc/41/17/55/1194411755.db2.gz XLXSLAFMBUWJER-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)c2)CC1 ZINC000272391251 1194456021 /nfs/dbraw/zinc/45/60/21/1194456021.db2.gz XYSDCIXBZLDIGN-QUCCMNQESA-N 2 1 399.539 0.925 20 0 GCADMP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000272779686 1194500728 /nfs/dbraw/zinc/50/07/28/1194500728.db2.gz RIIPDOYGUYAIJC-KRWDZBQOSA-N 2 1 387.532 0.938 20 0 GCADMP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272779686 1194500733 /nfs/dbraw/zinc/50/07/33/1194500733.db2.gz RIIPDOYGUYAIJC-KRWDZBQOSA-N 2 1 387.532 0.938 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000273071787 1194536647 /nfs/dbraw/zinc/53/66/47/1194536647.db2.gz ZYVXUNCVLBQDKC-SFHVURJKSA-N 2 1 376.501 0.509 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652729344 1194604863 /nfs/dbraw/zinc/60/48/63/1194604863.db2.gz BOYXPHOMRDZSTM-XSLAGTTESA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652729344 1194604865 /nfs/dbraw/zinc/60/48/65/1194604865.db2.gz BOYXPHOMRDZSTM-XSLAGTTESA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652729345 1194605644 /nfs/dbraw/zinc/60/56/44/1194605644.db2.gz BOYXPHOMRDZSTM-XWTMOSNGSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652729345 1194605647 /nfs/dbraw/zinc/60/56/47/1194605647.db2.gz BOYXPHOMRDZSTM-XWTMOSNGSA-N 2 1 380.533 0.530 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000422302903 1194610075 /nfs/dbraw/zinc/61/00/75/1194610075.db2.gz HAKXPDGNXYVLHG-GOSISDBHSA-N 2 1 390.528 0.838 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422491341 1194651113 /nfs/dbraw/zinc/65/11/13/1194651113.db2.gz NPTNXNBPJRLESU-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000414698275 1194703110 /nfs/dbraw/zinc/70/31/10/1194703110.db2.gz HUYYYMINDRWUSY-LJQANCHMSA-N 2 1 382.464 0.619 20 0 GCADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422892874 1194707972 /nfs/dbraw/zinc/70/79/72/1194707972.db2.gz ZNXAONHSSBPMNA-GUDVDZBRSA-N 2 1 388.512 0.767 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000422975342 1194714688 /nfs/dbraw/zinc/71/46/88/1194714688.db2.gz SOCYCDZOYQBFRP-YTQUADARSA-N 2 1 388.512 0.810 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423031404 1194719898 /nfs/dbraw/zinc/71/98/98/1194719898.db2.gz DDLXFVHGITUACC-FQEVSTJZSA-N 2 1 399.539 0.227 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000423050349 1194721643 /nfs/dbraw/zinc/72/16/43/1194721643.db2.gz LPDDTVUVZUXDRC-WMZOPIPTSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000423050349 1194721646 /nfs/dbraw/zinc/72/16/46/1194721646.db2.gz LPDDTVUVZUXDRC-WMZOPIPTSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000423049573 1194724664 /nfs/dbraw/zinc/72/46/64/1194724664.db2.gz KGHWUMGNNGYYIL-VQIMIIECSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000423049573 1194724667 /nfs/dbraw/zinc/72/46/67/1194724667.db2.gz KGHWUMGNNGYYIL-VQIMIIECSA-N 2 1 388.512 0.925 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423051550 1194725194 /nfs/dbraw/zinc/72/51/94/1194725194.db2.gz OKMWXIWHAJYVKL-SFHVURJKSA-N 2 1 388.512 0.940 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423051550 1194725197 /nfs/dbraw/zinc/72/51/97/1194725197.db2.gz OKMWXIWHAJYVKL-SFHVURJKSA-N 2 1 388.512 0.940 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423088000 1194726227 /nfs/dbraw/zinc/72/62/27/1194726227.db2.gz QUMQBCBVRCCBQN-IBGZPJMESA-N 2 1 393.576 0.463 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423117551 1194727656 /nfs/dbraw/zinc/72/76/56/1194727656.db2.gz VXQPEGHLZVFXEV-WBVHZDCISA-N 2 1 376.526 0.645 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423120167 1194728356 /nfs/dbraw/zinc/72/83/56/1194728356.db2.gz FTXPDWFMQQOIGT-FHLIZLRMSA-N 2 1 376.476 0.879 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCCO1 ZINC000423113227 1194730597 /nfs/dbraw/zinc/73/05/97/1194730597.db2.gz KQCABONPSLEYIP-OAHLLOKOSA-N 2 1 380.514 0.011 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423182510 1194736002 /nfs/dbraw/zinc/73/60/02/1194736002.db2.gz FCXPFZJZUZYSHG-ZHALLVOQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423214069 1194740354 /nfs/dbraw/zinc/74/03/54/1194740354.db2.gz OJNJXVSWAHAQLK-FUHIMQAGSA-N 2 1 379.549 0.201 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423386646 1194752965 /nfs/dbraw/zinc/75/29/65/1194752965.db2.gz MDYGEDCWEAILAT-LMMKCTJWSA-N 2 1 388.512 0.684 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423386646 1194752966 /nfs/dbraw/zinc/75/29/66/1194752966.db2.gz MDYGEDCWEAILAT-LMMKCTJWSA-N 2 1 388.512 0.684 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423392833 1194753286 /nfs/dbraw/zinc/75/32/86/1194753286.db2.gz QSQPZJLUEMYANF-ONIAQPFYSA-N 2 1 378.517 0.284 20 0 GCADMP COc1cc(C(=O)N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)ccc1C ZINC000414741092 1194753979 /nfs/dbraw/zinc/75/39/79/1194753979.db2.gz HCXBYMUZJQELAI-KRWDZBQOSA-N 2 1 388.512 0.959 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423404911 1194754752 /nfs/dbraw/zinc/75/47/52/1194754752.db2.gz XXCKGUQRHPBKCN-RTBURBONSA-N 2 1 399.539 0.335 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423443979 1194755802 /nfs/dbraw/zinc/75/58/02/1194755802.db2.gz LELFZPVKNDPGCH-RBUKOAKNSA-N 2 1 394.560 0.794 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000423445204 1194755879 /nfs/dbraw/zinc/75/58/79/1194755879.db2.gz MLJWAVFALAJWJB-UHFFFAOYSA-N 2 1 382.549 0.651 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000423450112 1194756200 /nfs/dbraw/zinc/75/62/00/1194756200.db2.gz SJFNYZOGABQMJI-WMZOPIPTSA-N 2 1 382.549 0.779 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423452459 1194756540 /nfs/dbraw/zinc/75/65/40/1194756540.db2.gz WJVXTZHUAIEMSI-GVDBMIGSSA-N 2 1 380.533 0.389 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)C1 ZINC000423430959 1194756855 /nfs/dbraw/zinc/75/68/55/1194756855.db2.gz ACLFXYZPSUJHLI-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423438700 1194757230 /nfs/dbraw/zinc/75/72/30/1194757230.db2.gz HDNNUUPFVISDCX-GOSISDBHSA-N 2 1 394.560 0.651 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423438583 1194757238 /nfs/dbraw/zinc/75/72/38/1194757238.db2.gz GZTSAUFBYRYCIF-UHFFFAOYSA-N 2 1 382.549 0.781 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423456174 1194757953 /nfs/dbraw/zinc/75/79/53/1194757953.db2.gz DIHJEMPGXVRLSB-BPQIPLTHSA-N 2 1 388.512 0.243 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423456174 1194757956 /nfs/dbraw/zinc/75/79/56/1194757956.db2.gz DIHJEMPGXVRLSB-BPQIPLTHSA-N 2 1 388.512 0.243 20 0 GCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423462359 1194758231 /nfs/dbraw/zinc/75/82/31/1194758231.db2.gz OYUUGDYJMXZQLF-ZACQAIPSSA-N 2 1 396.532 0.053 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423453609 1194759243 /nfs/dbraw/zinc/75/92/43/1194759243.db2.gz AYKTUAKKLARADB-HKUYNNGSSA-N 2 1 388.512 0.686 20 0 GCADMP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530536 1194761327 /nfs/dbraw/zinc/76/13/27/1194761327.db2.gz PPGBOLQLGSYKTK-MSOLQXFVSA-N 2 1 379.549 0.214 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529113 1194761388 /nfs/dbraw/zinc/76/13/88/1194761388.db2.gz NXHHKHLZCJFOQD-BHIYHBOVSA-N 2 1 393.576 0.602 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529117 1194761494 /nfs/dbraw/zinc/76/14/94/1194761494.db2.gz NXHHKHLZCJFOQD-QXAKKESOSA-N 2 1 393.576 0.602 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423527672 1194763482 /nfs/dbraw/zinc/76/34/82/1194763482.db2.gz MKODOAQPTODQIE-QXAKKESOSA-N 2 1 393.576 0.732 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423537314 1194764789 /nfs/dbraw/zinc/76/47/89/1194764789.db2.gz JTRJWVGGJRSVRM-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423537314 1194764791 /nfs/dbraw/zinc/76/47/91/1194764791.db2.gz JTRJWVGGJRSVRM-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603385 1194772024 /nfs/dbraw/zinc/77/20/24/1194772024.db2.gz FDUCTQRJDLAHFN-UXHICEINSA-N 2 1 399.539 0.225 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603380 1194772100 /nfs/dbraw/zinc/77/21/00/1194772100.db2.gz FDUCTQRJDLAHFN-PMACEKPBSA-N 2 1 399.539 0.225 20 0 GCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423606954 1194772483 /nfs/dbraw/zinc/77/24/83/1194772483.db2.gz ISOHKMCQZYMYDH-FQEVSTJZSA-N 2 1 399.539 0.227 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H]1Cc1ccccc1 ZINC000423634826 1194776310 /nfs/dbraw/zinc/77/63/10/1194776310.db2.gz NTODWPKQDDVHPC-LJQANCHMSA-N 2 1 384.524 0.974 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H]1Cc1ccccc1 ZINC000423634826 1194776312 /nfs/dbraw/zinc/77/63/12/1194776312.db2.gz NTODWPKQDDVHPC-LJQANCHMSA-N 2 1 384.524 0.974 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623322 1194777983 /nfs/dbraw/zinc/77/79/83/1194777983.db2.gz OEKGCWAYUFRSPN-NQIIRXRSSA-N 2 1 388.512 0.422 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423657105 1194780048 /nfs/dbraw/zinc/78/00/48/1194780048.db2.gz VJLVKUPRIYLOBF-SJORKVTESA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423668601 1194782083 /nfs/dbraw/zinc/78/20/83/1194782083.db2.gz KGPURIKNDULJGV-QZTJIDSGSA-N 2 1 382.549 0.922 20 0 GCADMP O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423693284 1194783269 /nfs/dbraw/zinc/78/32/69/1194783269.db2.gz RVAVUAXKDSDFCM-HAGHYFMRSA-N 2 1 382.508 0.645 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)[C@@H](C[NH3+])C1 ZINC000423683041 1194785431 /nfs/dbraw/zinc/78/54/31/1194785431.db2.gz WIZONSROPWIARH-CVEARBPZSA-N 2 1 394.541 0.400 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423685840 1194786012 /nfs/dbraw/zinc/78/60/12/1194786012.db2.gz VJJJRAQQBIQHON-SJORKVTESA-N 2 1 395.548 0.165 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000423719058 1194788545 /nfs/dbraw/zinc/78/85/45/1194788545.db2.gz BRVBNVXGOAHYPD-RTBURBONSA-N 2 1 395.592 0.709 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)CC[NH+](C)C ZINC000423719058 1194788548 /nfs/dbraw/zinc/78/85/48/1194788548.db2.gz BRVBNVXGOAHYPD-RTBURBONSA-N 2 1 395.592 0.709 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423744677 1194791064 /nfs/dbraw/zinc/79/10/64/1194791064.db2.gz MXBZHRRHYWZEME-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP [NH3+]CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000423750675 1194791840 /nfs/dbraw/zinc/79/18/40/1194791840.db2.gz VCVLFGCGDGLSRW-QWHCGFSZSA-N 2 1 380.411 0.096 20 0 GCADMP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423740201 1194792914 /nfs/dbraw/zinc/79/29/14/1194792914.db2.gz IQBYUSYHHDTEMG-APWZRJJASA-N 2 1 381.565 0.303 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)cc(OC)c1 ZINC000664382713 1194807665 /nfs/dbraw/zinc/80/76/65/1194807665.db2.gz ZTGGMLNRIMOAGS-SNRMKQJTSA-N 2 1 392.500 0.594 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)cc(OC)c1 ZINC000664382713 1194807670 /nfs/dbraw/zinc/80/76/70/1194807670.db2.gz ZTGGMLNRIMOAGS-SNRMKQJTSA-N 2 1 392.500 0.594 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)c1 ZINC000424443474 1194811710 /nfs/dbraw/zinc/81/17/10/1194811710.db2.gz BNBIIKPBUUPRGW-UHFFFAOYSA-N 2 1 375.473 0.061 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000424453224 1194815228 /nfs/dbraw/zinc/81/52/28/1194815228.db2.gz JVZUKUYHKZOZCS-QGZVFWFLSA-N 2 1 389.500 0.451 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424492342 1194816937 /nfs/dbraw/zinc/81/69/37/1194816937.db2.gz HVYSGLYVYYTWDH-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424492342 1194816939 /nfs/dbraw/zinc/81/69/39/1194816939.db2.gz HVYSGLYVYYTWDH-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000424496667 1194817875 /nfs/dbraw/zinc/81/78/75/1194817875.db2.gz UYIPIOFFVQVSBE-KRWDZBQOSA-N 2 1 380.533 0.404 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424539987 1194820291 /nfs/dbraw/zinc/82/02/91/1194820291.db2.gz FWMOJSHRRJYLGX-YESZJQIVSA-N 2 1 376.505 0.006 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424525732 1194822075 /nfs/dbraw/zinc/82/20/75/1194822075.db2.gz RCQZYXHIPDAFQA-RYQLBKOJSA-N 2 1 390.532 0.444 20 0 GCADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647937890 1194829667 /nfs/dbraw/zinc/82/96/67/1194829667.db2.gz DMKMTWFFUDUBJM-VMUDFCTBSA-N 2 1 382.530 0.959 20 0 GCADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647937890 1194829670 /nfs/dbraw/zinc/82/96/70/1194829670.db2.gz DMKMTWFFUDUBJM-VMUDFCTBSA-N 2 1 382.530 0.959 20 0 GCADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647938720 1194839308 /nfs/dbraw/zinc/83/93/08/1194839308.db2.gz SPUFXQKJUFWFEJ-LXZKKBNFSA-N 2 1 382.530 0.440 20 0 GCADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647938720 1194839311 /nfs/dbraw/zinc/83/93/11/1194839311.db2.gz SPUFXQKJUFWFEJ-LXZKKBNFSA-N 2 1 382.530 0.440 20 0 GCADMP COCCOc1ccccc1N1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000514091832 1194849587 /nfs/dbraw/zinc/84/95/87/1194849587.db2.gz YOEVTBFKQPHJTI-UHFFFAOYSA-N 2 1 390.528 0.998 20 0 GCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@@H](C)O1 ZINC000514141510 1194853478 /nfs/dbraw/zinc/85/34/78/1194853478.db2.gz GCTZZUNIWXCUKB-RTBURBONSA-N 2 1 396.576 0.741 20 0 GCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664447094 1194869059 /nfs/dbraw/zinc/86/90/59/1194869059.db2.gz IOBILWFAJNISQB-IPMKNSEASA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664447094 1194869061 /nfs/dbraw/zinc/86/90/61/1194869061.db2.gz IOBILWFAJNISQB-IPMKNSEASA-N 2 1 380.533 0.870 20 0 GCADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000505581599 1194880654 /nfs/dbraw/zinc/88/06/54/1194880654.db2.gz NYWQBEHJTSTKCF-WIYYLYMNSA-N 2 1 392.544 0.644 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000505581599 1194880656 /nfs/dbraw/zinc/88/06/56/1194880656.db2.gz NYWQBEHJTSTKCF-WIYYLYMNSA-N 2 1 392.544 0.644 20 0 GCADMP O=C(NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414864489 1194883797 /nfs/dbraw/zinc/88/37/97/1194883797.db2.gz CTMCSTAWALXHBS-QFIPXVFZSA-N 2 1 394.475 0.982 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664475066 1194898100 /nfs/dbraw/zinc/89/81/00/1194898100.db2.gz LTCPDNXHFQRXAE-AQNXPRMDSA-N 2 1 394.560 0.995 20 0 GCADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1=O ZINC000425316724 1194908518 /nfs/dbraw/zinc/90/85/18/1194908518.db2.gz LXIQWHAHDQRKGD-INIZCTEOSA-N 2 1 386.456 0.176 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1=O ZINC000425316724 1194908520 /nfs/dbraw/zinc/90/85/20/1194908520.db2.gz LXIQWHAHDQRKGD-INIZCTEOSA-N 2 1 386.456 0.176 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)N[C@H]3CC[N@@H+](CCOC)C3)CC2)CC1 ZINC000514787641 1194908903 /nfs/dbraw/zinc/90/89/03/1194908903.db2.gz UABRJHVHAYBZCK-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647940044 1194909479 /nfs/dbraw/zinc/90/94/79/1194909479.db2.gz KTEHIQWOUNZQKY-SJLPKXTDSA-N 2 1 394.541 0.579 20 0 GCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647940044 1194909480 /nfs/dbraw/zinc/90/94/80/1194909480.db2.gz KTEHIQWOUNZQKY-SJLPKXTDSA-N 2 1 394.541 0.579 20 0 GCADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647940045 1194909570 /nfs/dbraw/zinc/90/95/70/1194909570.db2.gz KTEHIQWOUNZQKY-WMZOPIPTSA-N 2 1 394.541 0.579 20 0 GCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647940045 1194909572 /nfs/dbraw/zinc/90/95/72/1194909572.db2.gz KTEHIQWOUNZQKY-WMZOPIPTSA-N 2 1 394.541 0.579 20 0 GCADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322863 1194914585 /nfs/dbraw/zinc/91/45/85/1194914585.db2.gz UFOXHKSJZQUHSU-CVEARBPZSA-N 2 1 377.489 0.049 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322863 1194914586 /nfs/dbraw/zinc/91/45/86/1194914586.db2.gz UFOXHKSJZQUHSU-CVEARBPZSA-N 2 1 377.489 0.049 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)C2C[NH+](C3CCCCC3)C2)CC1=O ZINC000425327724 1194916803 /nfs/dbraw/zinc/91/68/03/1194916803.db2.gz ZXSHEWHZLRRMOH-KRWDZBQOSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000638097326 1194925849 /nfs/dbraw/zinc/92/58/49/1194925849.db2.gz UELIHVBPQVYNSC-QXAKKESOSA-N 2 1 390.528 0.978 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435378772 1194925911 /nfs/dbraw/zinc/92/59/11/1194925911.db2.gz GIRGNZDUXCWIRC-SFHVURJKSA-N 2 1 388.512 0.975 20 0 GCADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000514938346 1194930800 /nfs/dbraw/zinc/93/08/00/1194930800.db2.gz HIFWRLRQABYXAC-QZTJIDSGSA-N 2 1 379.549 0.071 20 0 GCADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000514938348 1194931071 /nfs/dbraw/zinc/93/10/71/1194931071.db2.gz HIFWRLRQABYXAC-ROUUACIJSA-N 2 1 379.549 0.071 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000425378761 1194931147 /nfs/dbraw/zinc/93/11/47/1194931147.db2.gz CIDGIJGQAXNZKQ-QGZVFWFLSA-N 2 1 380.533 0.642 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000425384192 1194935061 /nfs/dbraw/zinc/93/50/61/1194935061.db2.gz JKYKZCTVJDGLOI-UHFFFAOYSA-N 2 1 382.549 0.746 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C[C@H](C)O1 ZINC000435585814 1194946258 /nfs/dbraw/zinc/94/62/58/1194946258.db2.gz VBKANMJBGQYPLT-IXDOHACOSA-N 2 1 386.537 0.209 20 0 GCADMP CN(CC(=O)N1CCC[C@@]2(C1)C[N@H+](CCCC(F)(F)F)CCO2)C(N)=[NH2+] ZINC001269992336 1194949150 /nfs/dbraw/zinc/94/91/50/1194949150.db2.gz HJTVOFXSNOJFPY-HNNXBMFYSA-N 2 1 379.427 0.848 20 0 GCADMP CN(CC(=O)N1CCC[C@@]2(C1)C[N@@H+](CCCC(F)(F)F)CCO2)C(N)=[NH2+] ZINC001269992336 1194949151 /nfs/dbraw/zinc/94/91/51/1194949151.db2.gz HJTVOFXSNOJFPY-HNNXBMFYSA-N 2 1 379.427 0.848 20 0 GCADMP CC[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629047 1194950492 /nfs/dbraw/zinc/95/04/92/1194950492.db2.gz SOEHGVWYWQKQPL-MRXNPFEDSA-N 2 1 382.530 0.457 20 0 GCADMP CC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629047 1194950494 /nfs/dbraw/zinc/95/04/94/1194950494.db2.gz SOEHGVWYWQKQPL-MRXNPFEDSA-N 2 1 382.530 0.457 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425398514 1194951565 /nfs/dbraw/zinc/95/15/65/1194951565.db2.gz IEOXDAULYDRMLP-RCCFBDPRSA-N 2 1 380.533 0.498 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)oc1C ZINC000284420248 1194955864 /nfs/dbraw/zinc/95/58/64/1194955864.db2.gz CGNMNLVTPWQSBP-UHFFFAOYSA-N 2 1 391.516 0.830 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCC[N@H+](C)C3CC3)CC2)oc1C ZINC000284420248 1194955867 /nfs/dbraw/zinc/95/58/67/1194955867.db2.gz CGNMNLVTPWQSBP-UHFFFAOYSA-N 2 1 391.516 0.830 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN(C(C)(C)COC)CC1 ZINC000425404675 1194956178 /nfs/dbraw/zinc/95/61/78/1194956178.db2.gz PUBYROYMPVTLHC-SJORKVTESA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425404675 1194956184 /nfs/dbraw/zinc/95/61/84/1194956184.db2.gz PUBYROYMPVTLHC-SJORKVTESA-N 2 1 380.533 0.641 20 0 GCADMP C[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414873827 1194965321 /nfs/dbraw/zinc/96/53/21/1194965321.db2.gz HDCMPNOWUGVYDB-MRXNPFEDSA-N 2 1 389.500 0.120 20 0 GCADMP COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500440 1194978695 /nfs/dbraw/zinc/97/86/95/1194978695.db2.gz VUFNUINTTDIXQD-XLIONFOSSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000515500440 1194978698 /nfs/dbraw/zinc/97/86/98/1194978698.db2.gz VUFNUINTTDIXQD-XLIONFOSSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000515500440 1194978700 /nfs/dbraw/zinc/97/87/00/1194978700.db2.gz VUFNUINTTDIXQD-XLIONFOSSA-N 2 1 390.484 0.122 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000436047204 1194982049 /nfs/dbraw/zinc/98/20/49/1194982049.db2.gz CLQMYEKKZYXUGD-LLVKDONJSA-N 2 1 381.399 0.084 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)NC(=O)NCC(F)(F)F ZINC000436047214 1194982103 /nfs/dbraw/zinc/98/21/03/1194982103.db2.gz CLQMYEKKZYXUGD-NSHDSACASA-N 2 1 381.399 0.084 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000436063627 1194983496 /nfs/dbraw/zinc/98/34/96/1194983496.db2.gz XUEIOXVKEZFMHN-CQSZACIVSA-N 2 1 382.455 0.943 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000436063627 1194983497 /nfs/dbraw/zinc/98/34/97/1194983497.db2.gz XUEIOXVKEZFMHN-CQSZACIVSA-N 2 1 382.455 0.943 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436054966 1194983863 /nfs/dbraw/zinc/98/38/63/1194983863.db2.gz WHBXBLMLTCUBMG-QGZVFWFLSA-N 2 1 376.501 0.973 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436054966 1194983864 /nfs/dbraw/zinc/98/38/64/1194983864.db2.gz WHBXBLMLTCUBMG-QGZVFWFLSA-N 2 1 376.501 0.973 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414879002 1194986863 /nfs/dbraw/zinc/98/68/63/1194986863.db2.gz OGPCSGFXAAGMHU-UHFFFAOYSA-N 2 1 376.379 0.797 20 0 GCADMP c1cn([C@@H]2CCCN(CC3(C[N@H+]4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503869 1194993511 /nfs/dbraw/zinc/99/35/11/1194993511.db2.gz JXPGWVWNLNNOCU-HDICACEKSA-N 2 1 386.504 0.860 20 0 GCADMP c1cn([C@@H]2CCC[N@@H+](CC3(CN4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503869 1194993513 /nfs/dbraw/zinc/99/35/13/1194993513.db2.gz JXPGWVWNLNNOCU-HDICACEKSA-N 2 1 386.504 0.860 20 0 GCADMP c1cn([C@@H]2CCC[N@H+](CC3(CN4CCC[C@H](n5ccnn5)C4)COC3)C2)nn1 ZINC000425503869 1194993515 /nfs/dbraw/zinc/99/35/15/1194993515.db2.gz JXPGWVWNLNNOCU-HDICACEKSA-N 2 1 386.504 0.860 20 0 GCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000286464206 1195003678 /nfs/dbraw/zinc/00/36/78/1195003678.db2.gz KCIQLEIHQMYVSW-MAUKXSAKSA-N 2 1 376.501 0.326 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)C[C@H](C)O1 ZINC000516194672 1195030425 /nfs/dbraw/zinc/03/04/25/1195030425.db2.gz RASQQLXLOTWHKI-QGWWYQLQSA-N 2 1 386.496 0.680 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)C[C@H](C)O1 ZINC000516194672 1195030429 /nfs/dbraw/zinc/03/04/29/1195030429.db2.gz RASQQLXLOTWHKI-QGWWYQLQSA-N 2 1 386.496 0.680 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[NH+](C)C ZINC000516198042 1195030966 /nfs/dbraw/zinc/03/09/66/1195030966.db2.gz XBAQRWDMQBSTDN-QGZVFWFLSA-N 2 1 376.501 0.967 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+](C)C ZINC000516198042 1195030969 /nfs/dbraw/zinc/03/09/69/1195030969.db2.gz XBAQRWDMQBSTDN-QGZVFWFLSA-N 2 1 376.501 0.967 20 0 GCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652734534 1195082318 /nfs/dbraw/zinc/08/23/18/1195082318.db2.gz NURSHLSMELFCQH-WNRNVDISSA-N 2 1 380.533 0.674 20 0 GCADMP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000516760739 1195094137 /nfs/dbraw/zinc/09/41/37/1195094137.db2.gz IHCHTYZCAJPYJX-CQSZACIVSA-N 2 1 391.516 0.432 20 0 GCADMP CC(C)[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000516761632 1195094485 /nfs/dbraw/zinc/09/44/85/1195094485.db2.gz KNSPZZRIOOQEHK-KSZLIROESA-N 2 1 377.537 0.128 20 0 GCADMP CC[NH+](CC(=O)N1CCN(C)[C@@H](CNC(=O)C[N@H+](CC)C2CC2)C1)C1CC1 ZINC000516777855 1195097395 /nfs/dbraw/zinc/09/73/95/1195097395.db2.gz SVPOGBSSCTWTPU-SFHVURJKSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC(=O)NC[C@H]1CN(C(=O)C[N@H+](CC)C2CC2)CCN1C)C1CC1 ZINC000516777855 1195097399 /nfs/dbraw/zinc/09/73/99/1195097399.db2.gz SVPOGBSSCTWTPU-SFHVURJKSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC(=O)NC[C@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CCN1C)C1CC1 ZINC000516777855 1195097402 /nfs/dbraw/zinc/09/74/02/1195097402.db2.gz SVPOGBSSCTWTPU-SFHVURJKSA-N 2 1 379.549 0.214 20 0 GCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000516932248 1195114535 /nfs/dbraw/zinc/11/45/35/1195114535.db2.gz HIUISZJLWKVDAX-MRXNPFEDSA-N 2 1 377.489 0.003 20 0 GCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000516932247 1195114727 /nfs/dbraw/zinc/11/47/27/1195114727.db2.gz HIUISZJLWKVDAX-INIZCTEOSA-N 2 1 377.489 0.003 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000517020110 1195125293 /nfs/dbraw/zinc/12/52/93/1195125293.db2.gz HOSRKQSBOVICCL-MRXNPFEDSA-N 2 1 376.501 0.639 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000517020110 1195125294 /nfs/dbraw/zinc/12/52/94/1195125294.db2.gz HOSRKQSBOVICCL-MRXNPFEDSA-N 2 1 376.501 0.639 20 0 GCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000517025319 1195125945 /nfs/dbraw/zinc/12/59/45/1195125945.db2.gz NMWAHXXHHSIVFJ-KRWDZBQOSA-N 2 1 388.512 0.651 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC000517058236 1195130647 /nfs/dbraw/zinc/13/06/47/1195130647.db2.gz FZELJKSZRKEJKK-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000425864086 1195140123 /nfs/dbraw/zinc/14/01/23/1195140123.db2.gz AZCKRVARFCBGFV-GOSISDBHSA-N 2 1 386.562 0.109 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000425884004 1195148560 /nfs/dbraw/zinc/14/85/60/1195148560.db2.gz KDVRALRLOBVWCT-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000425884004 1195148562 /nfs/dbraw/zinc/14/85/62/1195148562.db2.gz KDVRALRLOBVWCT-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000425884006 1195148720 /nfs/dbraw/zinc/14/87/20/1195148720.db2.gz KDVRALRLOBVWCT-SFHVURJKSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000425884006 1195148722 /nfs/dbraw/zinc/14/87/22/1195148722.db2.gz KDVRALRLOBVWCT-SFHVURJKSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000425887207 1195152205 /nfs/dbraw/zinc/15/22/05/1195152205.db2.gz JYQHXNSRPWFWAH-QGZVFWFLSA-N 2 1 398.548 0.173 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000425887207 1195152208 /nfs/dbraw/zinc/15/22/08/1195152208.db2.gz JYQHXNSRPWFWAH-QGZVFWFLSA-N 2 1 398.548 0.173 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425886503 1195152986 /nfs/dbraw/zinc/15/29/86/1195152986.db2.gz MPJJIVCTZVUTSL-XUVXKRRUSA-N 2 1 399.539 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425886503 1195152988 /nfs/dbraw/zinc/15/29/88/1195152988.db2.gz MPJJIVCTZVUTSL-XUVXKRRUSA-N 2 1 399.539 0.081 20 0 GCADMP O=C(C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000517229890 1195159634 /nfs/dbraw/zinc/15/96/34/1195159634.db2.gz FYCLQXHLGRZDDM-JQVVWYNYSA-N 2 1 382.508 0.789 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000517536737 1195189075 /nfs/dbraw/zinc/18/90/75/1195189075.db2.gz OMZXTROUWMYFCD-QGZVFWFLSA-N 2 1 379.505 0.513 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000517536737 1195189076 /nfs/dbraw/zinc/18/90/76/1195189076.db2.gz OMZXTROUWMYFCD-QGZVFWFLSA-N 2 1 379.505 0.513 20 0 GCADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000517564540 1195193433 /nfs/dbraw/zinc/19/34/33/1195193433.db2.gz DWLKEJBWOQIMMA-UHFFFAOYSA-N 2 1 392.525 0.342 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000517595974 1195194996 /nfs/dbraw/zinc/19/49/96/1195194996.db2.gz IMYUXYREHYXELH-MSOLQXFVSA-N 2 1 381.565 0.224 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000517595976 1195195075 /nfs/dbraw/zinc/19/50/75/1195195075.db2.gz IMYUXYREHYXELH-ROUUACIJSA-N 2 1 381.565 0.224 20 0 GCADMP CC(C)(CNC(=O)CN1CC[C@@H](C(=O)NCC(F)(F)F)C1)N1CCOCC1 ZINC000426100573 1195233784 /nfs/dbraw/zinc/23/37/84/1195233784.db2.gz FLYBIMLEHOIDCW-CYBMUJFWSA-N 2 1 394.438 0.214 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000518200244 1195266595 /nfs/dbraw/zinc/26/65/95/1195266595.db2.gz JHZQZHMCGYYSJX-ZWKOTPCHSA-N 2 1 392.544 0.690 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)CC2)c1 ZINC000414967934 1195269370 /nfs/dbraw/zinc/26/93/70/1195269370.db2.gz BXUXZYZELIEXRV-INIZCTEOSA-N 2 1 394.479 0.888 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1O ZINC000664750028 1195316295 /nfs/dbraw/zinc/31/62/95/1195316295.db2.gz QARJFRZQJBLMAR-QYZOEREBSA-N 2 1 376.501 0.594 20 0 GCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000439393625 1195317247 /nfs/dbraw/zinc/31/72/47/1195317247.db2.gz GEDZRSFJVDJFPY-HNNXBMFYSA-N 2 1 389.500 0.903 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000518804797 1195332987 /nfs/dbraw/zinc/33/29/87/1195332987.db2.gz LXFWRTADAMWCSE-CALCHBBNSA-N 2 1 397.564 0.728 20 0 GCADMP O=C(NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415012015 1195415988 /nfs/dbraw/zinc/41/59/88/1195415988.db2.gz RTWZHKOOOLBSLC-UXHICEINSA-N 2 1 394.475 0.980 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415054086 1195418148 /nfs/dbraw/zinc/41/81/48/1195418148.db2.gz DYYCBQFWHRHMMI-SFHVURJKSA-N 2 1 388.516 0.553 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415054086 1195418151 /nfs/dbraw/zinc/41/81/51/1195418151.db2.gz DYYCBQFWHRHMMI-SFHVURJKSA-N 2 1 388.516 0.553 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1(C)C ZINC000664815651 1195428190 /nfs/dbraw/zinc/42/81/90/1195428190.db2.gz RTHAUKNYSMQIEC-GOSISDBHSA-N 2 1 381.565 0.909 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000550098554 1195434591 /nfs/dbraw/zinc/43/45/91/1195434591.db2.gz WFVCTCSWIJSFGT-RTBURBONSA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550098554 1195434594 /nfs/dbraw/zinc/43/45/94/1195434594.db2.gz WFVCTCSWIJSFGT-RTBURBONSA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550098554 1195434597 /nfs/dbraw/zinc/43/45/97/1195434597.db2.gz WFVCTCSWIJSFGT-RTBURBONSA-N 2 1 396.576 0.944 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000550204351 1195461392 /nfs/dbraw/zinc/46/13/92/1195461392.db2.gz JIFAUDVYCJOZRL-HOTGVXAUSA-N 2 1 382.549 0.839 20 0 GCADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000426761987 1195481298 /nfs/dbraw/zinc/48/12/98/1195481298.db2.gz GBTUFPVJWFDWAL-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000426761987 1195481302 /nfs/dbraw/zinc/48/13/02/1195481302.db2.gz GBTUFPVJWFDWAL-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CCCC4)C3)n2)CC1 ZINC000426915531 1195492142 /nfs/dbraw/zinc/49/21/42/1195492142.db2.gz WTLYTDNZMYULGJ-OAHLLOKOSA-N 2 1 388.516 1.221 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000519590102 1195496083 /nfs/dbraw/zinc/49/60/83/1195496083.db2.gz UJBQZDXAPYVPOW-HOTGVXAUSA-N 2 1 380.562 0.239 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)n2)CC1 ZINC000427524883 1195548705 /nfs/dbraw/zinc/54/87/05/1195548705.db2.gz MVEWPPLLIMYRSK-DOTOQJQBSA-N 2 1 388.516 1.031 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)N1CC[NH+](C)CC1 ZINC000473873179 1195553525 /nfs/dbraw/zinc/55/35/25/1195553525.db2.gz FYBZIMCAFYNIBB-GOSISDBHSA-N 2 1 383.581 0.793 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000519667682 1195563249 /nfs/dbraw/zinc/56/32/49/1195563249.db2.gz POCJAKTXVAHUEK-WBVHZDCISA-N 2 1 380.533 0.733 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000519704563 1195564279 /nfs/dbraw/zinc/56/42/79/1195564279.db2.gz DXMRXOHGCRNAKT-SJORKVTESA-N 2 1 380.533 0.452 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C1CC1 ZINC000519731761 1195567396 /nfs/dbraw/zinc/56/73/96/1195567396.db2.gz XXSVZZAOGSRGSG-UHFFFAOYSA-N 2 1 393.576 0.463 20 0 GCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000520187266 1195606372 /nfs/dbraw/zinc/60/63/72/1195606372.db2.gz VVMDPWYOBWBBLW-KRWDZBQOSA-N 2 1 396.576 0.869 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000520187266 1195606375 /nfs/dbraw/zinc/60/63/75/1195606375.db2.gz VVMDPWYOBWBBLW-KRWDZBQOSA-N 2 1 396.576 0.869 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000520187266 1195606377 /nfs/dbraw/zinc/60/63/77/1195606377.db2.gz VVMDPWYOBWBBLW-KRWDZBQOSA-N 2 1 396.576 0.869 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000520187266 1195606380 /nfs/dbraw/zinc/60/63/80/1195606380.db2.gz VVMDPWYOBWBBLW-KRWDZBQOSA-N 2 1 396.576 0.869 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000520335133 1195621925 /nfs/dbraw/zinc/62/19/25/1195621925.db2.gz DYPXYVLFBIXQCB-GUDVDZBRSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000520335133 1195621928 /nfs/dbraw/zinc/62/19/28/1195621928.db2.gz DYPXYVLFBIXQCB-GUDVDZBRSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000550364996 1195644241 /nfs/dbraw/zinc/64/42/41/1195644241.db2.gz PKODZJFZDAQSCP-KRWDZBQOSA-N 2 1 382.549 0.840 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000550363066 1195645752 /nfs/dbraw/zinc/64/57/52/1195645752.db2.gz XCKTYADBTNKFTR-INIZCTEOSA-N 2 1 380.533 0.687 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000550369374 1195647632 /nfs/dbraw/zinc/64/76/32/1195647632.db2.gz STHNFEIBFGDZML-NVXWUHKLSA-N 2 1 376.501 0.967 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550380895 1195648488 /nfs/dbraw/zinc/64/84/88/1195648488.db2.gz CEWVOGDGTTWDOW-RBUKOAKNSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000550380960 1195648822 /nfs/dbraw/zinc/64/88/22/1195648822.db2.gz CWONWWUUNUCLHC-SFHVURJKSA-N 2 1 395.592 0.754 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976692 1195652557 /nfs/dbraw/zinc/65/25/57/1195652557.db2.gz SCGZUFIPUHNRIF-CABCVRRESA-N 2 1 380.514 0.984 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000328938159 1195676435 /nfs/dbraw/zinc/67/64/35/1195676435.db2.gz DFLADWNIHAYGNP-OKZBNKHCSA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000328938159 1195676440 /nfs/dbraw/zinc/67/64/40/1195676440.db2.gz DFLADWNIHAYGNP-OKZBNKHCSA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000328938155 1195676721 /nfs/dbraw/zinc/67/67/21/1195676721.db2.gz DFLADWNIHAYGNP-BZSNNMDCSA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000328938155 1195676724 /nfs/dbraw/zinc/67/67/24/1195676724.db2.gz DFLADWNIHAYGNP-BZSNNMDCSA-N 2 1 380.533 0.641 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945967 1195741305 /nfs/dbraw/zinc/74/13/05/1195741305.db2.gz NMBKWBQJPBIQHP-ZWKOTPCHSA-N 2 1 383.581 0.747 20 0 GCADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647983829 1195748283 /nfs/dbraw/zinc/74/82/83/1195748283.db2.gz XPTPPNQKSUQJDU-VUCTXSBTSA-N 2 1 396.513 0.489 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000550413784 1195754299 /nfs/dbraw/zinc/75/42/99/1195754299.db2.gz ZDFNURAEIHCNAC-HKUYNNGSSA-N 2 1 390.528 0.360 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000520514651 1195778121 /nfs/dbraw/zinc/77/81/21/1195778121.db2.gz SVHGWBQFKSJQQR-KURKYZTESA-N 2 1 380.533 0.546 20 0 GCADMP C[NH+]1CCC[C@H]2[C@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000895091909 1195803775 /nfs/dbraw/zinc/80/37/75/1195803775.db2.gz JYTZQSLJLINRFA-MLHJIOFPSA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC000895091909 1195803780 /nfs/dbraw/zinc/80/37/80/1195803780.db2.gz JYTZQSLJLINRFA-MLHJIOFPSA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC000895091909 1195803783 /nfs/dbraw/zinc/80/37/83/1195803783.db2.gz JYTZQSLJLINRFA-MLHJIOFPSA-N 2 1 399.543 0.921 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898320 1195890860 /nfs/dbraw/zinc/89/08/60/1195890860.db2.gz AIFALPJLVKMJNA-BLONOQDTSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898320 1195890863 /nfs/dbraw/zinc/89/08/63/1195890863.db2.gz AIFALPJLVKMJNA-BLONOQDTSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898320 1195890868 /nfs/dbraw/zinc/89/08/68/1195890868.db2.gz AIFALPJLVKMJNA-BLONOQDTSA-N 2 1 380.533 0.732 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000441988082 1195939303 /nfs/dbraw/zinc/93/93/03/1195939303.db2.gz MVAXVHIFDHDWFG-SFHVURJKSA-N 2 1 386.496 0.853 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000441988082 1195939306 /nfs/dbraw/zinc/93/93/06/1195939306.db2.gz MVAXVHIFDHDWFG-SFHVURJKSA-N 2 1 386.496 0.853 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000442005663 1195941493 /nfs/dbraw/zinc/94/14/93/1195941493.db2.gz XWCYXYZSDORCKH-INIZCTEOSA-N 2 1 378.473 0.402 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(COC)CC[NH2+]C3)cc2)CC1 ZINC000521039737 1195956256 /nfs/dbraw/zinc/95/62/56/1195956256.db2.gz MZFBGYQJKZPASE-OAQYLSRUSA-N 2 1 388.512 0.958 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066740 1195959101 /nfs/dbraw/zinc/95/91/01/1195959101.db2.gz OHYMYTHTGHHJBC-RTBURBONSA-N 2 1 394.560 0.935 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCn2nc3ccccn3c2=O)CC1 ZINC000521092939 1195962824 /nfs/dbraw/zinc/96/28/24/1195962824.db2.gz JNIPLPSFZFQNJL-UHFFFAOYSA-N 2 1 381.440 0.672 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457393 1195968015 /nfs/dbraw/zinc/96/80/15/1195968015.db2.gz QWKOVSQPNOGXHZ-ZSYWTGECSA-N 2 1 396.576 0.942 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457393 1195968017 /nfs/dbraw/zinc/96/80/17/1195968017.db2.gz QWKOVSQPNOGXHZ-ZSYWTGECSA-N 2 1 396.576 0.942 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457393 1195968020 /nfs/dbraw/zinc/96/80/20/1195968020.db2.gz QWKOVSQPNOGXHZ-ZSYWTGECSA-N 2 1 396.576 0.942 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458974 1195986386 /nfs/dbraw/zinc/98/63/86/1195986386.db2.gz UOGMGEKMASBELS-AEFFLSMTSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000550458974 1195986387 /nfs/dbraw/zinc/98/63/87/1195986387.db2.gz UOGMGEKMASBELS-AEFFLSMTSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000550458974 1195986391 /nfs/dbraw/zinc/98/63/91/1195986391.db2.gz UOGMGEKMASBELS-AEFFLSMTSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000521392873 1195994303 /nfs/dbraw/zinc/99/43/03/1195994303.db2.gz HXAJPSCCVDURAX-LMMKCTJWSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000521392873 1195994307 /nfs/dbraw/zinc/99/43/07/1195994307.db2.gz HXAJPSCCVDURAX-LMMKCTJWSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000521392873 1195994308 /nfs/dbraw/zinc/99/43/08/1195994308.db2.gz HXAJPSCCVDURAX-LMMKCTJWSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754194 1196002553 /nfs/dbraw/zinc/00/25/53/1196002553.db2.gz HRKUAIHDWXGTGG-WMZOPIPTSA-N 2 1 394.541 0.330 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754194 1196002555 /nfs/dbraw/zinc/00/25/55/1196002555.db2.gz HRKUAIHDWXGTGG-WMZOPIPTSA-N 2 1 394.541 0.330 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000469764981 1196022342 /nfs/dbraw/zinc/02/23/42/1196022342.db2.gz QRBPNUWZLHTLSW-DOTOQJQBSA-N 2 1 387.550 0.425 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+]1CCCCC1 ZINC000521960188 1196028620 /nfs/dbraw/zinc/02/86/20/1196028620.db2.gz JPKAWUDNXYHVPB-RBUKOAKNSA-N 2 1 394.560 0.938 20 0 GCADMP CN(C(=O)[C@H]1CCCCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000522059836 1196041271 /nfs/dbraw/zinc/04/12/71/1196041271.db2.gz CDYPVPUMXFHQQS-GOSISDBHSA-N 2 1 379.549 0.215 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000550480381 1196052072 /nfs/dbraw/zinc/05/20/72/1196052072.db2.gz DMKOPHYKQQFMTL-GOSISDBHSA-N 2 1 393.576 0.319 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000550518766 1196073110 /nfs/dbraw/zinc/07/31/10/1196073110.db2.gz IQEYWLDINNVQBQ-AEFFLSMTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000550518766 1196073111 /nfs/dbraw/zinc/07/31/11/1196073111.db2.gz IQEYWLDINNVQBQ-AEFFLSMTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000550518766 1196073113 /nfs/dbraw/zinc/07/31/13/1196073113.db2.gz IQEYWLDINNVQBQ-AEFFLSMTSA-N 2 1 379.549 0.071 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000550550055 1196083262 /nfs/dbraw/zinc/08/32/62/1196083262.db2.gz BMJFCXUEOFOBPG-QGZVFWFLSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000550550055 1196083264 /nfs/dbraw/zinc/08/32/64/1196083264.db2.gz BMJFCXUEOFOBPG-QGZVFWFLSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000550550055 1196083266 /nfs/dbraw/zinc/08/32/66/1196083266.db2.gz BMJFCXUEOFOBPG-QGZVFWFLSA-N 2 1 379.549 0.262 20 0 GCADMP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000550562621 1196086507 /nfs/dbraw/zinc/08/65/07/1196086507.db2.gz AAAVSQFMJZVDAU-KRWDZBQOSA-N 2 1 392.544 0.690 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000114372319 1196097465 /nfs/dbraw/zinc/09/74/65/1196097465.db2.gz VNLRNZZCHWUGES-RCCFBDPRSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000114372319 1196097468 /nfs/dbraw/zinc/09/74/68/1196097468.db2.gz VNLRNZZCHWUGES-RCCFBDPRSA-N 2 1 380.533 0.546 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000114602562 1196106053 /nfs/dbraw/zinc/10/60/53/1196106053.db2.gz DXAIQTKEUQRDAO-LJQANCHMSA-N 2 1 381.565 0.646 20 0 GCADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[NH+]1CCC(C)CC1 ZINC000114592423 1196106324 /nfs/dbraw/zinc/10/63/24/1196106324.db2.gz RPAQQSPDYBLYGQ-LJQANCHMSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000895666965 1196107463 /nfs/dbraw/zinc/10/74/63/1196107463.db2.gz UROLHAPUWZDWDY-GJZGRUSLSA-N 2 1 379.509 0.332 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000895666965 1196107464 /nfs/dbraw/zinc/10/74/64/1196107464.db2.gz UROLHAPUWZDWDY-GJZGRUSLSA-N 2 1 379.509 0.332 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000895841789 1196113845 /nfs/dbraw/zinc/11/38/45/1196113845.db2.gz IBYFKRAXTVCUHC-WJFTUGDTSA-N 2 1 392.544 0.870 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895841789 1196113847 /nfs/dbraw/zinc/11/38/47/1196113847.db2.gz IBYFKRAXTVCUHC-WJFTUGDTSA-N 2 1 392.544 0.870 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000840300021 1196115477 /nfs/dbraw/zinc/11/54/77/1196115477.db2.gz YPFGUUKEWWRGDU-IBGZPJMESA-N 2 1 398.548 0.618 20 0 GCADMP O=C(NCc1ccccc1OCCN1CCOCC1)C1CN([C@@H]2CCOC2)C1 ZINC000895944046 1196119590 /nfs/dbraw/zinc/11/95/90/1196119590.db2.gz MNZPKLDXUJENOM-LJQANCHMSA-N 2 1 389.496 0.735 20 0 GCADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468180 1196149504 /nfs/dbraw/zinc/14/95/04/1196149504.db2.gz NMORBHSLQFJUKO-HBFSDRIKSA-N 2 1 379.549 0.376 20 0 GCADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468180 1196149507 /nfs/dbraw/zinc/14/95/07/1196149507.db2.gz NMORBHSLQFJUKO-HBFSDRIKSA-N 2 1 379.549 0.376 20 0 GCADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468180 1196149508 /nfs/dbraw/zinc/14/95/08/1196149508.db2.gz NMORBHSLQFJUKO-HBFSDRIKSA-N 2 1 379.549 0.376 20 0 GCADMP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896532511 1196153899 /nfs/dbraw/zinc/15/38/99/1196153899.db2.gz LRBYLTZFIDFGFS-KSSFIOAISA-N 2 1 388.516 0.668 20 0 GCADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461502 1196187852 /nfs/dbraw/zinc/18/78/52/1196187852.db2.gz PAIMYLHQBNVFFA-IRXDYDNUSA-N 2 1 382.549 0.974 20 0 GCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329452213 1196197561 /nfs/dbraw/zinc/19/75/61/1196197561.db2.gz LUCPWBLDKVFOMC-QRVBRYPASA-N 2 1 392.544 0.785 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@H]2C1 ZINC000329461372 1196198466 /nfs/dbraw/zinc/19/84/66/1196198466.db2.gz SQAHGEBIQMUTQR-FGTMMUONSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@H]2C1 ZINC000329461372 1196198467 /nfs/dbraw/zinc/19/84/67/1196198467.db2.gz SQAHGEBIQMUTQR-FGTMMUONSA-N 2 1 378.517 0.252 20 0 GCADMP CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012125 1196217110 /nfs/dbraw/zinc/21/71/10/1196217110.db2.gz UCWVIKRAZJVVOF-RSPOEFSDSA-N 2 1 389.544 0.945 20 0 GCADMP CCn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012125 1196217111 /nfs/dbraw/zinc/21/71/11/1196217111.db2.gz UCWVIKRAZJVVOF-RSPOEFSDSA-N 2 1 389.544 0.945 20 0 GCADMP CCn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012125 1196217113 /nfs/dbraw/zinc/21/71/13/1196217113.db2.gz UCWVIKRAZJVVOF-RSPOEFSDSA-N 2 1 389.544 0.945 20 0 GCADMP CCn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)cn1 ZINC001088012125 1196217115 /nfs/dbraw/zinc/21/71/15/1196217115.db2.gz UCWVIKRAZJVVOF-RSPOEFSDSA-N 2 1 389.544 0.945 20 0 GCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329872963 1196235481 /nfs/dbraw/zinc/23/54/81/1196235481.db2.gz DLWCGKZZBIVUND-QZTJIDSGSA-N 2 1 393.576 0.556 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281646180 1196318000 /nfs/dbraw/zinc/31/80/00/1196318000.db2.gz RKJKAWPQGUFMLG-INIZCTEOSA-N 2 1 382.530 0.822 20 0 GCADMP C[NH+]1C[C@H]2CN(c3cc(N4C[C@H]5C[N@H+](C)C[C@@]5(C)C4)nc4ncnn43)C[C@@]2(C)C1 ZINC000896912890 1196367450 /nfs/dbraw/zinc/36/74/50/1196367450.db2.gz ICJWUDCMSVQVSG-QMKUDKLTSA-N 2 1 396.543 0.900 20 0 GCADMP C[NH+]1C[C@@H]2CN(c3cc(N4C[C@@H]5C[N@H+](C)C[C@]5(C)C4)n4ncnc4n3)C[C@]2(C)C1 ZINC000896912890 1196367454 /nfs/dbraw/zinc/36/74/54/1196367454.db2.gz ICJWUDCMSVQVSG-QMKUDKLTSA-N 2 1 396.543 0.900 20 0 GCADMP C[NH+]1C[C@@H]2CN(c3cc(N4C[C@@H]5C[N@@H+](C)C[C@]5(C)C4)n4ncnc4n3)C[C@]2(C)C1 ZINC000896912890 1196367459 /nfs/dbraw/zinc/36/74/59/1196367459.db2.gz ICJWUDCMSVQVSG-QMKUDKLTSA-N 2 1 396.543 0.900 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643419505 1196395987 /nfs/dbraw/zinc/39/59/87/1196395987.db2.gz WAFWUASOKGJNKJ-ROUUACIJSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643419505 1196395991 /nfs/dbraw/zinc/39/59/91/1196395991.db2.gz WAFWUASOKGJNKJ-ROUUACIJSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643419505 1196395994 /nfs/dbraw/zinc/39/59/94/1196395994.db2.gz WAFWUASOKGJNKJ-ROUUACIJSA-N 2 1 379.549 0.073 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431148 1196523366 /nfs/dbraw/zinc/52/33/66/1196523366.db2.gz YGRWQSLDRMQCGJ-SJORKVTESA-N 2 1 383.537 0.197 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000523431148 1196523369 /nfs/dbraw/zinc/52/33/69/1196523369.db2.gz YGRWQSLDRMQCGJ-SJORKVTESA-N 2 1 383.537 0.197 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N(C)C ZINC000523452323 1196524877 /nfs/dbraw/zinc/52/48/77/1196524877.db2.gz JPHDCPUBTVUXCA-IRXDYDNUSA-N 2 1 391.516 0.937 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000523452323 1196524878 /nfs/dbraw/zinc/52/48/78/1196524878.db2.gz JPHDCPUBTVUXCA-IRXDYDNUSA-N 2 1 391.516 0.937 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446273774 1196629930 /nfs/dbraw/zinc/62/99/30/1196629930.db2.gz CLKNCGDPEVWYNK-OXFYSEKESA-N 2 1 380.533 0.626 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447908093 1196756224 /nfs/dbraw/zinc/75/62/24/1196756224.db2.gz UEZFDQXTXXPRJM-UXHICEINSA-N 2 1 391.512 0.859 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447908093 1196756227 /nfs/dbraw/zinc/75/62/27/1196756227.db2.gz UEZFDQXTXXPRJM-UXHICEINSA-N 2 1 391.512 0.859 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528333488 1196850159 /nfs/dbraw/zinc/85/01/59/1196850159.db2.gz AJRBSSDOCMMQJV-IRXDYDNUSA-N 2 1 388.578 0.533 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000370057598 1196873174 /nfs/dbraw/zinc/87/31/74/1196873174.db2.gz YKJOGRFCEMNVJV-QGZVFWFLSA-N 2 1 379.549 0.661 20 0 GCADMP CC(=O)NCC(=O)N1CCCN(Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000528733442 1196884265 /nfs/dbraw/zinc/88/42/65/1196884265.db2.gz ADOAULDBOLCYPM-UHFFFAOYSA-N 2 1 388.512 0.689 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318634 1196914834 /nfs/dbraw/zinc/91/48/34/1196914834.db2.gz XQTDIGSLQJPIND-HOTGVXAUSA-N 2 1 378.473 0.566 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NC[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318634 1196914837 /nfs/dbraw/zinc/91/48/37/1196914837.db2.gz XQTDIGSLQJPIND-HOTGVXAUSA-N 2 1 378.473 0.566 20 0 GCADMP O=C(NC[C@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000529382212 1196918833 /nfs/dbraw/zinc/91/88/33/1196918833.db2.gz CKVUWLCAUXANIZ-VQTJNVASSA-N 2 1 387.528 0.577 20 0 GCADMP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000529374603 1196920070 /nfs/dbraw/zinc/92/00/70/1196920070.db2.gz GEGSDRQBVSKXKE-QRQLOZEOSA-N 2 1 381.565 0.953 20 0 GCADMP C[C@](O)(CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647848 1197001642 /nfs/dbraw/zinc/00/16/42/1197001642.db2.gz HYQTVIAUKWKIMP-ICSRJNTNSA-N 2 1 376.501 0.493 20 0 GCADMP C[C@](O)(CNC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647848 1197001647 /nfs/dbraw/zinc/00/16/47/1197001647.db2.gz HYQTVIAUKWKIMP-ICSRJNTNSA-N 2 1 376.501 0.493 20 0 GCADMP C[C@](O)(CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647849 1197001907 /nfs/dbraw/zinc/00/19/07/1197001907.db2.gz HYQTVIAUKWKIMP-QUCCMNQESA-N 2 1 376.501 0.493 20 0 GCADMP C[C@](O)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647849 1197001908 /nfs/dbraw/zinc/00/19/08/1197001908.db2.gz HYQTVIAUKWKIMP-QUCCMNQESA-N 2 1 376.501 0.493 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(CNS(C)(=O)=O)o2)CC1 ZINC000530762615 1197014654 /nfs/dbraw/zinc/01/46/54/1197014654.db2.gz MXIKEKNCAXOUPS-UHFFFAOYSA-N 2 1 393.469 0.728 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1nccnc1C(N)=O ZINC000530949674 1197032440 /nfs/dbraw/zinc/03/24/40/1197032440.db2.gz IYQMQUPSEJQZBO-UHFFFAOYSA-N 2 1 388.516 0.844 20 0 GCADMP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)nc(NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000531823578 1197099542 /nfs/dbraw/zinc/09/95/42/1197099542.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 2 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000531823578 1197099550 /nfs/dbraw/zinc/09/95/50/1197099550.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 3 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)nc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000531823578 1197099555 /nfs/dbraw/zinc/09/95/55/1197099555.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 3 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)nc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823578 1197099559 /nfs/dbraw/zinc/09/95/59/1197099559.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 3 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823578 1197099564 /nfs/dbraw/zinc/09/95/64/1197099564.db2.gz MYICSLJEJVDJBY-IRXDYDNUSA-N 3 1 390.580 0.463 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532027649 1197107174 /nfs/dbraw/zinc/10/71/74/1197107174.db2.gz ZIHOYILOPKJJQD-OALUTQOASA-N 2 1 381.565 0.689 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711820 1197125279 /nfs/dbraw/zinc/12/52/79/1197125279.db2.gz RGVSWMNPCKUIOO-OAHLLOKOSA-N 2 1 391.520 0.356 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000532264896 1197132373 /nfs/dbraw/zinc/13/23/73/1197132373.db2.gz FFMKCTDTZPCBEQ-NEWSRXKRSA-N 2 1 381.565 0.547 20 0 GCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000532281215 1197137860 /nfs/dbraw/zinc/13/78/60/1197137860.db2.gz ITLICIGQDIYPKD-AABGKKOBSA-N 2 1 395.592 0.935 20 0 GCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000532281216 1197137949 /nfs/dbraw/zinc/13/79/49/1197137949.db2.gz ITLICIGQDIYPKD-HSALFYBXSA-N 2 1 395.592 0.935 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000171722939 1197158666 /nfs/dbraw/zinc/15/86/66/1197158666.db2.gz DDQFQRZUYMXZJO-GUDVDZBRSA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000171722939 1197158667 /nfs/dbraw/zinc/15/86/67/1197158667.db2.gz DDQFQRZUYMXZJO-GUDVDZBRSA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC000171722939 1197158670 /nfs/dbraw/zinc/15/86/70/1197158670.db2.gz DDQFQRZUYMXZJO-GUDVDZBRSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)O1 ZINC000986324077 1197165830 /nfs/dbraw/zinc/16/58/30/1197165830.db2.gz MYAZVYQTFOVJAP-OQIJWPOYSA-N 2 1 392.544 0.354 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)O1 ZINC000986324077 1197165836 /nfs/dbraw/zinc/16/58/36/1197165836.db2.gz MYAZVYQTFOVJAP-OQIJWPOYSA-N 2 1 392.544 0.354 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)O1 ZINC000986429537 1197170021 /nfs/dbraw/zinc/17/00/21/1197170021.db2.gz VOVGHRUTPLPICF-ZJPYXAASSA-N 2 1 390.528 0.108 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]3C2)O1 ZINC000986429537 1197170024 /nfs/dbraw/zinc/17/00/24/1197170024.db2.gz VOVGHRUTPLPICF-ZJPYXAASSA-N 2 1 390.528 0.108 20 0 GCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000459205346 1197188582 /nfs/dbraw/zinc/18/85/82/1197188582.db2.gz AIAIVLRCPDSTQU-GOSISDBHSA-N 2 1 398.548 0.260 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188832848 1197234327 /nfs/dbraw/zinc/23/43/27/1197234327.db2.gz WFSNBILKNAIVKC-IRXDYDNUSA-N 2 1 382.549 0.974 20 0 GCADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCOCC1 ZINC000189903949 1197239138 /nfs/dbraw/zinc/23/91/38/1197239138.db2.gz YBCBJCIJGYOOPT-OAQYLSRUSA-N 2 1 390.528 0.987 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCOCC1 ZINC000189903949 1197239139 /nfs/dbraw/zinc/23/91/39/1197239139.db2.gz YBCBJCIJGYOOPT-OAQYLSRUSA-N 2 1 390.528 0.987 20 0 GCADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000897423670 1197246900 /nfs/dbraw/zinc/24/69/00/1197246900.db2.gz RAHQPRTVOSSRAH-UHFFFAOYSA-N 2 1 376.501 0.796 20 0 GCADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000897423670 1197246904 /nfs/dbraw/zinc/24/69/04/1197246904.db2.gz RAHQPRTVOSSRAH-UHFFFAOYSA-N 2 1 376.501 0.796 20 0 GCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000454000798 1197300610 /nfs/dbraw/zinc/30/06/10/1197300610.db2.gz QRUNNKUBBNZBTH-OAHLLOKOSA-N 2 1 376.505 1.031 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729610174 1197308327 /nfs/dbraw/zinc/30/83/27/1197308327.db2.gz DODWOKQGHXQQBE-BBWFWOEESA-N 2 1 381.521 0.092 20 0 GCADMP C[C@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956740 1197308397 /nfs/dbraw/zinc/30/83/97/1197308397.db2.gz BZHUPIXMTUNWQV-HOCLYGCPSA-N 2 1 387.488 0.247 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000105328855 1197326785 /nfs/dbraw/zinc/32/67/85/1197326785.db2.gz AQFQERTVXCFOLT-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000112911252 1197335334 /nfs/dbraw/zinc/33/53/34/1197335334.db2.gz VVPRRYJVPAYTSO-MOPGFXCFSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000112911252 1197335338 /nfs/dbraw/zinc/33/53/38/1197335338.db2.gz VVPRRYJVPAYTSO-MOPGFXCFSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000112911252 1197335341 /nfs/dbraw/zinc/33/53/41/1197335341.db2.gz VVPRRYJVPAYTSO-MOPGFXCFSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000112911251 1197335413 /nfs/dbraw/zinc/33/54/13/1197335413.db2.gz VVPRRYJVPAYTSO-RTBURBONSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000112911251 1197335416 /nfs/dbraw/zinc/33/54/16/1197335416.db2.gz VVPRRYJVPAYTSO-RTBURBONSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000112911251 1197335419 /nfs/dbraw/zinc/33/54/19/1197335419.db2.gz VVPRRYJVPAYTSO-RTBURBONSA-N 2 1 393.576 0.415 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922913 1197347102 /nfs/dbraw/zinc/34/71/02/1197347102.db2.gz DZMMBFZDWLEECZ-MISYRCLQSA-N 2 1 393.576 0.906 20 0 GCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922913 1197347105 /nfs/dbraw/zinc/34/71/05/1197347105.db2.gz DZMMBFZDWLEECZ-MISYRCLQSA-N 2 1 393.576 0.906 20 0 GCADMP CC(C)[NH+]1CCO[C@H](CN2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922913 1197347108 /nfs/dbraw/zinc/34/71/08/1197347108.db2.gz DZMMBFZDWLEECZ-MISYRCLQSA-N 2 1 393.576 0.906 20 0 GCADMP NC(=O)[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000130689289 1197372429 /nfs/dbraw/zinc/37/24/29/1197372429.db2.gz NWQXUBIGXNCMAF-IRXDYDNUSA-N 2 1 380.533 0.771 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCN(S(=O)(=O)C4CC4)CC3)cn2)CC1 ZINC000134401373 1197385611 /nfs/dbraw/zinc/38/56/11/1197385611.db2.gz DGIUZYXQDHTRJA-UHFFFAOYSA-N 2 1 394.545 0.275 20 0 GCADMP CN1CCN(C(=O)CCNC(=O)NCC[N@H+]2CCc3sccc3C2)CC1 ZINC000193840848 1197397422 /nfs/dbraw/zinc/39/74/22/1197397422.db2.gz RFUZXCLKXNRVAA-UHFFFAOYSA-N 2 1 379.530 0.570 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194012591 1197397812 /nfs/dbraw/zinc/39/78/12/1197397812.db2.gz ORHALWKTAREREV-IBGZPJMESA-N 2 1 387.528 0.972 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194012591 1197397816 /nfs/dbraw/zinc/39/78/16/1197397816.db2.gz ORHALWKTAREREV-IBGZPJMESA-N 2 1 387.528 0.972 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC001088579194 1197398731 /nfs/dbraw/zinc/39/87/31/1197398731.db2.gz UBSVBIPTWSHHRQ-LAVFITLUSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC001088579194 1197398735 /nfs/dbraw/zinc/39/87/35/1197398735.db2.gz UBSVBIPTWSHHRQ-LAVFITLUSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088579194 1197398738 /nfs/dbraw/zinc/39/87/38/1197398738.db2.gz UBSVBIPTWSHHRQ-LAVFITLUSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CCOCC3)[C@@H]2C)CC[NH+]1C ZINC001088579194 1197398741 /nfs/dbraw/zinc/39/87/41/1197398741.db2.gz UBSVBIPTWSHHRQ-LAVFITLUSA-N 2 1 380.533 0.591 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000194446908 1197399249 /nfs/dbraw/zinc/39/92/49/1197399249.db2.gz NKMHXRHPCVIUNJ-UHFFFAOYSA-N 2 1 388.516 0.509 20 0 GCADMP C[C@@](O)(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411408 1197399370 /nfs/dbraw/zinc/39/93/70/1197399370.db2.gz QXGGVCSVZABIMY-TZIWHRDSSA-N 2 1 390.528 0.891 20 0 GCADMP C[C@@](O)(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411408 1197399373 /nfs/dbraw/zinc/39/93/73/1197399373.db2.gz QXGGVCSVZABIMY-TZIWHRDSSA-N 2 1 390.528 0.891 20 0 GCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418906113 1197400788 /nfs/dbraw/zinc/40/07/88/1197400788.db2.gz FJQHIMXKZXDZTQ-OALUTQOASA-N 2 1 386.496 0.203 20 0 GCADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000897494180 1197402377 /nfs/dbraw/zinc/40/23/77/1197402377.db2.gz NAKQAEKGYDWNFF-SFHVURJKSA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000419340142 1197417737 /nfs/dbraw/zinc/41/77/37/1197417737.db2.gz MXDUFJQHTSXRQC-UHFFFAOYSA-N 2 1 375.517 0.294 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000533223741 1197439341 /nfs/dbraw/zinc/43/93/41/1197439341.db2.gz MHFKCIRASWAFJO-SFHVURJKSA-N 2 1 381.565 0.907 20 0 GCADMP CCN(CC)C(=O)CN1CCCN(C(=O)NCCN2CCCOCC2)CC1 ZINC000454998368 1197441470 /nfs/dbraw/zinc/44/14/70/1197441470.db2.gz KFMBAIPPYIBAFG-UHFFFAOYSA-N 2 1 383.537 0.294 20 0 GCADMP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000533570983 1197459221 /nfs/dbraw/zinc/45/92/21/1197459221.db2.gz CNKMSLQORRNDDM-ILZDJORESA-N 2 1 378.517 0.888 20 0 GCADMP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000533570983 1197459222 /nfs/dbraw/zinc/45/92/22/1197459222.db2.gz CNKMSLQORRNDDM-ILZDJORESA-N 2 1 378.517 0.888 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246348500 1197465287 /nfs/dbraw/zinc/46/52/87/1197465287.db2.gz NETSNISCKKXGPE-KZNAEPCWSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000246478870 1197471490 /nfs/dbraw/zinc/47/14/90/1197471490.db2.gz RIXJFZBYJPEXRH-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000246499039 1197471923 /nfs/dbraw/zinc/47/19/23/1197471923.db2.gz ZCLYWOVLOBXSRW-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000246499039 1197471925 /nfs/dbraw/zinc/47/19/25/1197471925.db2.gz ZCLYWOVLOBXSRW-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000247304872 1197475846 /nfs/dbraw/zinc/47/58/46/1197475846.db2.gz UZYVJSHKAJNIIA-NVXWUHKLSA-N 2 1 386.562 0.621 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000247113692 1197476106 /nfs/dbraw/zinc/47/61/06/1197476106.db2.gz VVPRRYJVPAYTSO-OALUTQOASA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000247113692 1197476111 /nfs/dbraw/zinc/47/61/11/1197476111.db2.gz VVPRRYJVPAYTSO-OALUTQOASA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000247113692 1197476114 /nfs/dbraw/zinc/47/61/14/1197476114.db2.gz VVPRRYJVPAYTSO-OALUTQOASA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412049 1197482109 /nfs/dbraw/zinc/48/21/09/1197482109.db2.gz VKOXYXSVEOOARJ-RCCFBDPRSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412049 1197482113 /nfs/dbraw/zinc/48/21/13/1197482113.db2.gz VKOXYXSVEOOARJ-RCCFBDPRSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412049 1197482117 /nfs/dbraw/zinc/48/21/17/1197482117.db2.gz VKOXYXSVEOOARJ-RCCFBDPRSA-N 2 1 394.560 0.623 20 0 GCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000614909697 1197486564 /nfs/dbraw/zinc/48/65/64/1197486564.db2.gz WFRHVHUKHFJNEZ-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000261774341 1197513961 /nfs/dbraw/zinc/51/39/61/1197513961.db2.gz MOLACAVMEBRGAK-GOSISDBHSA-N 2 1 380.514 0.190 20 0 GCADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000261774341 1197513966 /nfs/dbraw/zinc/51/39/66/1197513966.db2.gz MOLACAVMEBRGAK-GOSISDBHSA-N 2 1 380.514 0.190 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261794580 1197515401 /nfs/dbraw/zinc/51/54/01/1197515401.db2.gz IKCAJBBYOKWLCC-CVEARBPZSA-N 2 1 391.516 0.431 20 0 GCADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@H]3CNC(=O)CC[NH3+])cn2)CC1 ZINC000261921186 1197519021 /nfs/dbraw/zinc/51/90/21/1197519021.db2.gz BPYZYOBSHNKKGM-KRWDZBQOSA-N 2 1 375.521 0.048 20 0 GCADMP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261928376 1197519345 /nfs/dbraw/zinc/51/93/45/1197519345.db2.gz VWYUXHBWTQEUNF-WMZOPIPTSA-N 2 1 388.512 0.892 20 0 GCADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261928376 1197519347 /nfs/dbraw/zinc/51/93/47/1197519347.db2.gz VWYUXHBWTQEUNF-WMZOPIPTSA-N 2 1 388.512 0.892 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928701 1197519868 /nfs/dbraw/zinc/51/98/68/1197519868.db2.gz WABQHUVRSNQUOD-WBVHZDCISA-N 2 1 387.484 0.915 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928701 1197519873 /nfs/dbraw/zinc/51/98/73/1197519873.db2.gz WABQHUVRSNQUOD-WBVHZDCISA-N 2 1 387.484 0.915 20 0 GCADMP C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000262031278 1197523129 /nfs/dbraw/zinc/52/31/29/1197523129.db2.gz GYKIRRRWTDCLKU-ZWKOTPCHSA-N 2 1 379.549 0.121 20 0 GCADMP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000262031276 1197523211 /nfs/dbraw/zinc/52/32/11/1197523211.db2.gz GYKIRRRWTDCLKU-QZTJIDSGSA-N 2 1 379.549 0.121 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000262171850 1197527157 /nfs/dbraw/zinc/52/71/57/1197527157.db2.gz QKZUZYJPFHTWEK-UHFFFAOYSA-N 3 1 379.549 0.075 20 0 GCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000262527068 1197533443 /nfs/dbraw/zinc/53/34/43/1197533443.db2.gz NVODJJZFEDIMCJ-QGZVFWFLSA-N 2 1 378.517 0.444 20 0 GCADMP C[NH+]1CCC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000455656963 1197560163 /nfs/dbraw/zinc/56/01/63/1197560163.db2.gz CGZYQPFOXHABNV-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1CC ZINC000672007059 1199000306 /nfs/dbraw/zinc/00/03/06/1199000306.db2.gz AOIWGEBVZFDTQS-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@H]1CC ZINC000672007059 1199000313 /nfs/dbraw/zinc/00/03/13/1199000313.db2.gz AOIWGEBVZFDTQS-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP C[N@@H+]1C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795277 1199012496 /nfs/dbraw/zinc/01/24/96/1199012496.db2.gz QTQXCTHCKQDZBY-WCIQWLHISA-N 2 1 383.496 0.390 20 0 GCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2C[NH+](CCn3cccn3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795277 1199012502 /nfs/dbraw/zinc/01/25/02/1199012502.db2.gz QTQXCTHCKQDZBY-WCIQWLHISA-N 2 1 383.496 0.390 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2C[N@H+](CCn3cccn3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795277 1199012509 /nfs/dbraw/zinc/01/25/09/1199012509.db2.gz QTQXCTHCKQDZBY-WCIQWLHISA-N 2 1 383.496 0.390 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2C[N@@H+](CCn3cccn3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795277 1199012515 /nfs/dbraw/zinc/01/25/15/1199012515.db2.gz QTQXCTHCKQDZBY-WCIQWLHISA-N 2 1 383.496 0.390 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671365678 1199056398 /nfs/dbraw/zinc/05/63/98/1199056398.db2.gz XVRLHTMCCOFQKZ-FUHWJXTLSA-N 3 1 381.565 0.460 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671365678 1199056402 /nfs/dbraw/zinc/05/64/02/1199056402.db2.gz XVRLHTMCCOFQKZ-FUHWJXTLSA-N 3 1 381.565 0.460 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828591 1199077449 /nfs/dbraw/zinc/07/74/49/1199077449.db2.gz CCCJTLYMABQQMA-QZTJIDSGSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828591 1199077459 /nfs/dbraw/zinc/07/74/59/1199077459.db2.gz CCCJTLYMABQQMA-QZTJIDSGSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828591 1199077466 /nfs/dbraw/zinc/07/74/66/1199077466.db2.gz CCCJTLYMABQQMA-QZTJIDSGSA-N 2 1 396.580 0.112 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cnccn1 ZINC000465839582 1199081304 /nfs/dbraw/zinc/08/13/04/1199081304.db2.gz POYAHIGLCWSFFK-MRXNPFEDSA-N 2 1 391.520 0.264 20 0 GCADMP C[C@@](O)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCOCC1 ZINC000465854134 1199088269 /nfs/dbraw/zinc/08/82/69/1199088269.db2.gz FYGWJRSWHZKFTO-GOSISDBHSA-N 2 1 384.521 0.014 20 0 GCADMP COCCN1CN(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)CC1=O ZINC000888403653 1199149451 /nfs/dbraw/zinc/14/94/51/1199149451.db2.gz QKCPEZCVMXBYBQ-UHFFFAOYSA-N 2 1 381.521 0.394 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000465899041 1199158208 /nfs/dbraw/zinc/15/82/08/1199158208.db2.gz YPBYALCVZZSOOL-QGZVFWFLSA-N 2 1 383.537 0.291 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203826 1199158398 /nfs/dbraw/zinc/15/83/98/1199158398.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203826 1199158399 /nfs/dbraw/zinc/15/83/99/1199158399.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203826 1199158401 /nfs/dbraw/zinc/15/84/01/1199158401.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672203826 1199158404 /nfs/dbraw/zinc/15/84/04/1199158404.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672203826 1199158407 /nfs/dbraw/zinc/15/84/07/1199158407.db2.gz NVRSNGMHZNYNCJ-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204398 1199159063 /nfs/dbraw/zinc/15/90/63/1199159063.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204398 1199159070 /nfs/dbraw/zinc/15/90/70/1199159070.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204398 1199159074 /nfs/dbraw/zinc/15/90/74/1199159074.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672204398 1199159077 /nfs/dbraw/zinc/15/90/77/1199159077.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672204398 1199159082 /nfs/dbraw/zinc/15/90/82/1199159082.db2.gz UIGRAGUVMFGMPP-AEFFLSMTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204400 1199159172 /nfs/dbraw/zinc/15/91/72/1199159172.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204400 1199159175 /nfs/dbraw/zinc/15/91/75/1199159175.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204400 1199159178 /nfs/dbraw/zinc/15/91/78/1199159178.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672204400 1199159182 /nfs/dbraw/zinc/15/91/82/1199159182.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672204400 1199159183 /nfs/dbraw/zinc/15/91/83/1199159183.db2.gz UIGRAGUVMFGMPP-SJLPKXTDSA-N 2 1 379.549 0.262 20 0 GCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)CC1 ZINC000672206892 1199160639 /nfs/dbraw/zinc/16/06/39/1199160639.db2.gz NBGRLKQYUQAZRY-KRWDZBQOSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)CC1 ZINC000672206892 1199160642 /nfs/dbraw/zinc/16/06/42/1199160642.db2.gz NBGRLKQYUQAZRY-KRWDZBQOSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)CC1 ZINC000672206892 1199160646 /nfs/dbraw/zinc/16/06/46/1199160646.db2.gz NBGRLKQYUQAZRY-KRWDZBQOSA-N 2 1 393.576 0.602 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000672213516 1199161331 /nfs/dbraw/zinc/16/13/31/1199161331.db2.gz FNIHWWGEIMTRAL-NRFANRHFSA-N 2 1 385.556 0.653 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000672213516 1199161335 /nfs/dbraw/zinc/16/13/35/1199161335.db2.gz FNIHWWGEIMTRAL-NRFANRHFSA-N 2 1 385.556 0.653 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000672278693 1199186312 /nfs/dbraw/zinc/18/63/12/1199186312.db2.gz HZOXUWWVGPHIBX-CGTJXYLNSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)O1 ZINC000656358176 1199189080 /nfs/dbraw/zinc/18/90/80/1199189080.db2.gz IZBDTRFKRXKULL-XDNAFOTISA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672307994 1199197540 /nfs/dbraw/zinc/19/75/40/1199197540.db2.gz VNMFJUGYTCYKDP-WBVHZDCISA-N 2 1 378.517 0.299 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000672305858 1199197887 /nfs/dbraw/zinc/19/78/87/1199197887.db2.gz GVRLJHULCMYCCF-GOSISDBHSA-N 2 1 392.544 0.690 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308251 1199199548 /nfs/dbraw/zinc/19/95/48/1199199548.db2.gz GUEAROHMCOHYET-RWQQGDIJSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308251 1199199552 /nfs/dbraw/zinc/19/95/52/1199199552.db2.gz GUEAROHMCOHYET-RWQQGDIJSA-N 2 1 392.544 0.687 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308875 1199202419 /nfs/dbraw/zinc/20/24/19/1199202419.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672308875 1199202427 /nfs/dbraw/zinc/20/24/27/1199202427.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672308875 1199202431 /nfs/dbraw/zinc/20/24/31/1199202431.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672308875 1199202433 /nfs/dbraw/zinc/20/24/33/1199202433.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308875 1199202436 /nfs/dbraw/zinc/20/24/36/1199202436.db2.gz BMSHXEXWNSVTDH-QGZVFWFLSA-N 3 1 379.549 0.071 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672311568 1199204913 /nfs/dbraw/zinc/20/49/13/1199204913.db2.gz JDGFXQXDHXRFQK-ROUUACIJSA-N 2 1 380.533 0.546 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@@H]21 ZINC000672313597 1199204956 /nfs/dbraw/zinc/20/49/56/1199204956.db2.gz GHQXHIQMNDRDFU-ROUUACIJSA-N 2 1 392.544 0.690 20 0 GCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313121 1199206032 /nfs/dbraw/zinc/20/60/32/1199206032.db2.gz LCKIHTDUKKLGIF-ROUUACIJSA-N 2 1 392.544 0.690 20 0 GCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949017 1199216864 /nfs/dbraw/zinc/21/68/64/1199216864.db2.gz MMTBYZIKMJUUKH-DLBZAZTESA-N 2 1 383.537 0.326 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465951152 1199217459 /nfs/dbraw/zinc/21/74/59/1199217459.db2.gz NIKNCPYOOBQONC-MRXNPFEDSA-N 2 1 383.537 0.062 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465951152 1199217465 /nfs/dbraw/zinc/21/74/65/1199217465.db2.gz NIKNCPYOOBQONC-MRXNPFEDSA-N 2 1 383.537 0.062 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465951152 1199217466 /nfs/dbraw/zinc/21/74/66/1199217466.db2.gz NIKNCPYOOBQONC-MRXNPFEDSA-N 2 1 383.537 0.062 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465956324 1199224672 /nfs/dbraw/zinc/22/46/72/1199224672.db2.gz XMFBEFSEORYKIR-INIZCTEOSA-N 2 1 383.537 0.326 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957398 1199226175 /nfs/dbraw/zinc/22/61/75/1199226175.db2.gz QBBSQWMYAHMWAB-QZTJIDSGSA-N 2 1 396.580 0.145 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC000465957398 1199226179 /nfs/dbraw/zinc/22/61/79/1199226179.db2.gz QBBSQWMYAHMWAB-QZTJIDSGSA-N 2 1 396.580 0.145 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000672593670 1199276065 /nfs/dbraw/zinc/27/60/65/1199276065.db2.gz KBVIZTFXSCFCDT-TZNCUMHOSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000672593670 1199276068 /nfs/dbraw/zinc/27/60/68/1199276068.db2.gz KBVIZTFXSCFCDT-TZNCUMHOSA-N 2 1 380.533 0.686 20 0 GCADMP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000672608325 1199281349 /nfs/dbraw/zinc/28/13/49/1199281349.db2.gz MBEBWICDWFUJLI-DOTOQJQBSA-N 2 1 390.532 0.926 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638225 1199290447 /nfs/dbraw/zinc/29/04/47/1199290447.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638225 1199290449 /nfs/dbraw/zinc/29/04/49/1199290449.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638225 1199290454 /nfs/dbraw/zinc/29/04/54/1199290454.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638225 1199290460 /nfs/dbraw/zinc/29/04/60/1199290460.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638225 1199290464 /nfs/dbraw/zinc/29/04/64/1199290464.db2.gz RBDGFKPQBPTDSG-MSOLQXFVSA-N 2 1 393.576 0.652 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638640 1199290876 /nfs/dbraw/zinc/29/08/76/1199290876.db2.gz GEEFLIURIGZHEI-MSOLQXFVSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638640 1199290881 /nfs/dbraw/zinc/29/08/81/1199290881.db2.gz GEEFLIURIGZHEI-MSOLQXFVSA-N 2 1 393.576 0.509 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639542 1199292432 /nfs/dbraw/zinc/29/24/32/1199292432.db2.gz QDZJWBRFJIVVFR-QZTJIDSGSA-N 2 1 391.560 0.215 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639542 1199292436 /nfs/dbraw/zinc/29/24/36/1199292436.db2.gz QDZJWBRFJIVVFR-QZTJIDSGSA-N 2 1 391.560 0.215 20 0 GCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638727 1199294618 /nfs/dbraw/zinc/29/46/18/1199294618.db2.gz IBIXHIIQXQALOQ-KRWDZBQOSA-N 2 1 381.565 0.317 20 0 GCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638727 1199294621 /nfs/dbraw/zinc/29/46/21/1199294621.db2.gz IBIXHIIQXQALOQ-KRWDZBQOSA-N 2 1 381.565 0.317 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672640499 1199294649 /nfs/dbraw/zinc/29/46/49/1199294649.db2.gz WAEXZAMXGSRGCS-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672640499 1199294652 /nfs/dbraw/zinc/29/46/52/1199294652.db2.gz WAEXZAMXGSRGCS-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640967 1199297642 /nfs/dbraw/zinc/29/76/42/1199297642.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640967 1199297647 /nfs/dbraw/zinc/29/76/47/1199297647.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640967 1199297654 /nfs/dbraw/zinc/29/76/54/1199297654.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640967 1199297664 /nfs/dbraw/zinc/29/76/64/1199297664.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640967 1199297668 /nfs/dbraw/zinc/29/76/68/1199297668.db2.gz HSVQAMYJFVJVAC-ROUUACIJSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641016 1199299298 /nfs/dbraw/zinc/29/92/98/1199299298.db2.gz JUPMTSRJVFNUKW-JKSUJKDBSA-N 2 1 381.565 0.364 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641016 1199299300 /nfs/dbraw/zinc/29/93/00/1199299300.db2.gz JUPMTSRJVFNUKW-JKSUJKDBSA-N 2 1 381.565 0.364 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672642485 1199301800 /nfs/dbraw/zinc/30/18/00/1199301800.db2.gz BMQDISWDHHQYCN-SJORKVTESA-N 2 1 379.549 0.260 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672642485 1199301805 /nfs/dbraw/zinc/30/18/05/1199301805.db2.gz BMQDISWDHHQYCN-SJORKVTESA-N 2 1 379.549 0.260 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641800 1199303769 /nfs/dbraw/zinc/30/37/69/1199303769.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641800 1199303772 /nfs/dbraw/zinc/30/37/72/1199303772.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641800 1199303773 /nfs/dbraw/zinc/30/37/73/1199303773.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672641800 1199303776 /nfs/dbraw/zinc/30/37/76/1199303776.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672641800 1199303778 /nfs/dbraw/zinc/30/37/78/1199303778.db2.gz XKQLQOFDQNIGIG-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000672655470 1199310200 /nfs/dbraw/zinc/31/02/00/1199310200.db2.gz PBNKRNAWNDWXEG-DLBZAZTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000672655470 1199310207 /nfs/dbraw/zinc/31/02/07/1199310207.db2.gz PBNKRNAWNDWXEG-DLBZAZTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000672655470 1199310210 /nfs/dbraw/zinc/31/02/10/1199310210.db2.gz PBNKRNAWNDWXEG-DLBZAZTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000672655470 1199310214 /nfs/dbraw/zinc/31/02/14/1199310214.db2.gz PBNKRNAWNDWXEG-DLBZAZTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000672655473 1199310518 /nfs/dbraw/zinc/31/05/18/1199310518.db2.gz PBNKRNAWNDWXEG-IRXDYDNUSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000672655473 1199310524 /nfs/dbraw/zinc/31/05/24/1199310524.db2.gz PBNKRNAWNDWXEG-IRXDYDNUSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000672655473 1199310527 /nfs/dbraw/zinc/31/05/27/1199310527.db2.gz PBNKRNAWNDWXEG-IRXDYDNUSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000672655473 1199310536 /nfs/dbraw/zinc/31/05/36/1199310536.db2.gz PBNKRNAWNDWXEG-IRXDYDNUSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672695606 1199314718 /nfs/dbraw/zinc/31/47/18/1199314718.db2.gz NGVFRSDJJJARHY-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672869731 1199355901 /nfs/dbraw/zinc/35/59/01/1199355901.db2.gz DXAJANAYGBGELG-DOTOQJQBSA-N 2 1 380.533 0.687 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672869731 1199355905 /nfs/dbraw/zinc/35/59/05/1199355905.db2.gz DXAJANAYGBGELG-DOTOQJQBSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673096078 1199417112 /nfs/dbraw/zinc/41/71/12/1199417112.db2.gz XCQKSKFPMPVHFW-CRAIPNDOSA-N 2 1 388.512 0.037 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224375 1199487974 /nfs/dbraw/zinc/48/79/74/1199487974.db2.gz KUIOLHBKOVWEEO-IAGOWNOFSA-N 2 1 381.565 0.317 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000466147497 1199496108 /nfs/dbraw/zinc/49/61/08/1199496108.db2.gz SPBOJRFUBSMJKT-WOJBJXKFSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000466147497 1199496113 /nfs/dbraw/zinc/49/61/13/1199496113.db2.gz SPBOJRFUBSMJKT-WOJBJXKFSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000466147497 1199496121 /nfs/dbraw/zinc/49/61/21/1199496121.db2.gz SPBOJRFUBSMJKT-WOJBJXKFSA-N 3 1 396.624 0.927 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673269192 1199509411 /nfs/dbraw/zinc/50/94/11/1199509411.db2.gz YGKSEBIVWZTASQ-YJBOKZPZSA-N 2 1 389.500 0.250 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673269192 1199509412 /nfs/dbraw/zinc/50/94/12/1199509412.db2.gz YGKSEBIVWZTASQ-YJBOKZPZSA-N 2 1 389.500 0.250 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673293079 1199522596 /nfs/dbraw/zinc/52/25/96/1199522596.db2.gz VJAKPVVHZQYEKA-ROUUACIJSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673293079 1199522601 /nfs/dbraw/zinc/52/26/01/1199522601.db2.gz VJAKPVVHZQYEKA-ROUUACIJSA-N 2 1 394.560 0.984 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000079653635 1199533051 /nfs/dbraw/zinc/53/30/51/1199533051.db2.gz CLFDYPPKAUATCF-QGZVFWFLSA-N 2 1 379.480 0.892 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000627349308 1199535814 /nfs/dbraw/zinc/53/58/14/1199535814.db2.gz JFNYZSDYQCSWBY-UHXUPSOCSA-N 2 1 376.423 0.714 20 0 GCADMP Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(OCC[NH+](C)C)c1 ZINC000265830195 1199537992 /nfs/dbraw/zinc/53/79/92/1199537992.db2.gz RUDHSYDLCQSUII-MRXNPFEDSA-N 2 1 391.516 0.236 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000673370639 1199580802 /nfs/dbraw/zinc/58/08/02/1199580802.db2.gz HWAYUOFGNBFOLX-UHFFFAOYSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673421634 1199614347 /nfs/dbraw/zinc/61/43/47/1199614347.db2.gz JXTQIOPAZRZIDQ-UGXKVIGPSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673421634 1199614353 /nfs/dbraw/zinc/61/43/53/1199614353.db2.gz JXTQIOPAZRZIDQ-UGXKVIGPSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)O1 ZINC001003706711 1199640957 /nfs/dbraw/zinc/64/09/57/1199640957.db2.gz TXGZUNRCKQJMOM-OVYGPGRDSA-N 2 1 376.501 0.049 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)O1 ZINC001003706711 1199640962 /nfs/dbraw/zinc/64/09/62/1199640962.db2.gz TXGZUNRCKQJMOM-OVYGPGRDSA-N 2 1 376.501 0.049 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)O1 ZINC001003750243 1199651727 /nfs/dbraw/zinc/65/17/27/1199651727.db2.gz YLLXGHNUAGHGJE-FXXCCUJSSA-N 2 1 378.517 0.295 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)O1 ZINC001003750243 1199651730 /nfs/dbraw/zinc/65/17/30/1199651730.db2.gz YLLXGHNUAGHGJE-FXXCCUJSSA-N 2 1 378.517 0.295 20 0 GCADMP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118123520 1199745065 /nfs/dbraw/zinc/74/50/65/1199745065.db2.gz QFBMYQUDPXTUIS-UHFFFAOYSA-N 2 1 376.501 0.956 20 0 GCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000118123520 1199745069 /nfs/dbraw/zinc/74/50/69/1199745069.db2.gz QFBMYQUDPXTUIS-UHFFFAOYSA-N 2 1 376.501 0.956 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000265870109 1199809760 /nfs/dbraw/zinc/80/97/60/1199809760.db2.gz YPMDTXKQWDPLRQ-UHFFFAOYSA-N 2 1 380.489 0.568 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583051 1199829485 /nfs/dbraw/zinc/82/94/85/1199829485.db2.gz MQEGIBIGIFLKJA-RCCFBDPRSA-N 2 1 378.517 0.081 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000673583590 1199829687 /nfs/dbraw/zinc/82/96/87/1199829687.db2.gz GEOYONHTKDSQPP-MSOLQXFVSA-N 2 1 378.517 0.035 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022749 1199892217 /nfs/dbraw/zinc/89/22/17/1199892217.db2.gz BCARWOAWJHPJNR-IAGOWNOFSA-N 2 1 390.532 0.648 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672325 1199926862 /nfs/dbraw/zinc/92/68/62/1199926862.db2.gz CBZWHJJNFKODRG-UNMCSNQZSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672325 1199926865 /nfs/dbraw/zinc/92/68/65/1199926865.db2.gz CBZWHJJNFKODRG-UNMCSNQZSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672325 1199926867 /nfs/dbraw/zinc/92/68/67/1199926867.db2.gz CBZWHJJNFKODRG-UNMCSNQZSA-N 2 1 386.540 0.862 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625559450 1200036548 /nfs/dbraw/zinc/03/65/48/1200036548.db2.gz CARVNJRRAPWVEW-OAHLLOKOSA-N 2 1 376.505 0.257 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000670472026 1200232171 /nfs/dbraw/zinc/23/21/71/1200232171.db2.gz XQDRZWZAJSDZKS-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001005339482 1200260454 /nfs/dbraw/zinc/26/04/54/1200260454.db2.gz UNGBNTQYLSXBIW-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001005339482 1200260460 /nfs/dbraw/zinc/26/04/60/1200260460.db2.gz UNGBNTQYLSXBIW-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000674872030 1200328134 /nfs/dbraw/zinc/32/81/34/1200328134.db2.gz KMFZNMADGVAWJM-INIZCTEOSA-N 2 1 379.505 0.940 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526489 1200404279 /nfs/dbraw/zinc/40/42/79/1200404279.db2.gz YPOHZZRUVUWMMX-IRXDYDNUSA-N 2 1 391.516 0.237 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccco1 ZINC000670526489 1200404282 /nfs/dbraw/zinc/40/42/82/1200404282.db2.gz YPOHZZRUVUWMMX-IRXDYDNUSA-N 2 1 391.516 0.237 20 0 GCADMP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000675552638 1200432292 /nfs/dbraw/zinc/43/22/92/1200432292.db2.gz HULXVJXHXJZIAQ-KXBFYZLASA-N 2 1 387.488 0.039 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280022 1200530949 /nfs/dbraw/zinc/53/09/49/1200530949.db2.gz QPAYJZRYPNNUIY-YJBOKZPZSA-N 2 1 392.500 0.791 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280022 1200530957 /nfs/dbraw/zinc/53/09/57/1200530957.db2.gz QPAYJZRYPNNUIY-YJBOKZPZSA-N 2 1 392.500 0.791 20 0 GCADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H](C)C1 ZINC000560146840 1200625631 /nfs/dbraw/zinc/62/56/31/1200625631.db2.gz DVASFBKSARCOFJ-UXLLHSPISA-N 2 1 382.468 1.395 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)n2)CC1 ZINC000408369646 1200672208 /nfs/dbraw/zinc/67/22/08/1200672208.db2.gz ACPQUENOXUVGAX-NVXWUHKLSA-N 2 1 388.516 1.031 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)n2)CC1 ZINC000408369645 1200672517 /nfs/dbraw/zinc/67/25/17/1200672517.db2.gz ACPQUENOXUVGAX-DOTOQJQBSA-N 2 1 388.516 1.031 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000375747327 1200756653 /nfs/dbraw/zinc/75/66/53/1200756653.db2.gz WFUDPRZFDHBMNV-INIZCTEOSA-N 2 1 376.505 0.887 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000375747327 1200756656 /nfs/dbraw/zinc/75/66/56/1200756656.db2.gz WFUDPRZFDHBMNV-INIZCTEOSA-N 2 1 376.505 0.887 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000477026756 1200779150 /nfs/dbraw/zinc/77/91/50/1200779150.db2.gz IVWHYCUVMOHZGE-QGZVFWFLSA-N 2 1 390.528 0.982 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000477094758 1200821800 /nfs/dbraw/zinc/82/18/00/1200821800.db2.gz FIPXUKRCJBGTGE-KRWDZBQOSA-N 2 1 382.549 0.984 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477101758 1200825348 /nfs/dbraw/zinc/82/53/48/1200825348.db2.gz RLDIUWRKKUAQJX-BSDSXHPESA-N 2 1 382.549 0.933 20 0 GCADMP Cc1cc(NC(=O)CSCC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1 ZINC000369276315 1200852350 /nfs/dbraw/zinc/85/23/50/1200852350.db2.gz GQZJCVMITIGYFC-AWEZNQCLSA-N 2 1 395.529 0.939 20 0 GCADMP Cc1cc(NC(=O)CSCC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)no1 ZINC000369276315 1200852358 /nfs/dbraw/zinc/85/23/58/1200852358.db2.gz GQZJCVMITIGYFC-AWEZNQCLSA-N 2 1 395.529 0.939 20 0 GCADMP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000923377596 1200973887 /nfs/dbraw/zinc/97/38/87/1200973887.db2.gz ODJOSTGLWQSZLB-HOJAQTOUSA-N 2 1 388.512 0.955 20 0 GCADMP COCCN(C)C[C@@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000923396549 1200988991 /nfs/dbraw/zinc/98/89/91/1200988991.db2.gz DXSLCFDBVOJPLJ-GOSISDBHSA-N 2 1 379.549 0.995 20 0 GCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000923485544 1201040503 /nfs/dbraw/zinc/04/05/03/1201040503.db2.gz VKJHRMIGSPNZQU-HNNXBMFYSA-N 2 1 398.504 0.329 20 0 GCADMP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000923516958 1201060378 /nfs/dbraw/zinc/06/03/78/1201060378.db2.gz AMEFJRGYLOVPQV-VQTJNVASSA-N 2 1 384.524 0.807 20 0 GCADMP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000923516958 1201060385 /nfs/dbraw/zinc/06/03/85/1201060385.db2.gz AMEFJRGYLOVPQV-VQTJNVASSA-N 2 1 384.524 0.807 20 0 GCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508391 1201071663 /nfs/dbraw/zinc/07/16/63/1201071663.db2.gz SAUCPZWZYGMITF-WMZOPIPTSA-N 2 1 398.511 1.335 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@@H+]1C ZINC001063228762 1201189061 /nfs/dbraw/zinc/18/90/61/1201189061.db2.gz IZRHNLVBPXSMLE-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@H+]1C ZINC001063228762 1201189069 /nfs/dbraw/zinc/18/90/69/1201189069.db2.gz IZRHNLVBPXSMLE-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063228762 1201189076 /nfs/dbraw/zinc/18/90/76/1201189076.db2.gz IZRHNLVBPXSMLE-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCC2(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063228762 1201189079 /nfs/dbraw/zinc/18/90/79/1201189079.db2.gz IZRHNLVBPXSMLE-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000497128343 1201194236 /nfs/dbraw/zinc/19/42/36/1201194236.db2.gz ZWVOEZNWWTTWQR-UJOPUZHASA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000497128343 1201194238 /nfs/dbraw/zinc/19/42/38/1201194238.db2.gz ZWVOEZNWWTTWQR-UJOPUZHASA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000497128343 1201194241 /nfs/dbraw/zinc/19/42/41/1201194241.db2.gz ZWVOEZNWWTTWQR-UJOPUZHASA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000497128345 1201194746 /nfs/dbraw/zinc/19/47/46/1201194746.db2.gz ZWVOEZNWWTTWQR-XSDIEEQYSA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000497128345 1201194756 /nfs/dbraw/zinc/19/47/56/1201194756.db2.gz ZWVOEZNWWTTWQR-XSDIEEQYSA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000497128345 1201194761 /nfs/dbraw/zinc/19/47/61/1201194761.db2.gz ZWVOEZNWWTTWQR-XSDIEEQYSA-N 2 1 380.577 0.967 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@H]2OC)CC[N@@H+]1C ZINC001081699488 1201301411 /nfs/dbraw/zinc/30/14/11/1201301411.db2.gz YNPCZDLEEVQQQI-BSDSXHPESA-N 2 1 378.521 0.441 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCn3nc(C)nc3C)C[C@H]2OC)CC[N@H+]1C ZINC001081699488 1201301420 /nfs/dbraw/zinc/30/14/20/1201301420.db2.gz YNPCZDLEEVQQQI-BSDSXHPESA-N 2 1 378.521 0.441 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCn3nc(C)nc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699488 1201301425 /nfs/dbraw/zinc/30/14/25/1201301425.db2.gz YNPCZDLEEVQQQI-BSDSXHPESA-N 2 1 378.521 0.441 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCn3nc(C)nc3C)C[C@H]2OC)CC[NH+]1C ZINC001081699488 1201301429 /nfs/dbraw/zinc/30/14/29/1201301429.db2.gz YNPCZDLEEVQQQI-BSDSXHPESA-N 2 1 378.521 0.441 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000495365195 1201301579 /nfs/dbraw/zinc/30/15/79/1201301579.db2.gz ZUQCIXBLGLBREW-HOTGVXAUSA-N 2 1 383.537 0.026 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000495365194 1201302177 /nfs/dbraw/zinc/30/21/77/1201302177.db2.gz ZUQCIXBLGLBREW-CVEARBPZSA-N 2 1 383.537 0.026 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC001082521139 1201337226 /nfs/dbraw/zinc/33/72/26/1201337226.db2.gz PBPXPYSJFLWLFZ-KBUPBQIOSA-N 2 1 379.505 0.094 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC3CCS(=O)(=O)CC3)C2)CC[N@H+]1C ZINC001082522678 1201337740 /nfs/dbraw/zinc/33/77/40/1201337740.db2.gz WXFOQLGYTRLNIB-BZZMCLGOSA-N 2 1 385.574 0.978 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001082522611 1201337862 /nfs/dbraw/zinc/33/78/62/1201337862.db2.gz RXEGYAQESBHWSL-YYIAUSFCSA-N 2 1 386.562 0.189 20 0 GCADMP COc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)c(C)n1 ZINC001082590284 1201340623 /nfs/dbraw/zinc/34/06/23/1201340623.db2.gz MYVFQZGXTCTMBI-BQGCOEIASA-N 2 1 377.489 0.449 20 0 GCADMP COc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)c(C)n1 ZINC001082590284 1201340627 /nfs/dbraw/zinc/34/06/27/1201340627.db2.gz MYVFQZGXTCTMBI-BQGCOEIASA-N 2 1 377.489 0.449 20 0 GCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675661 1201432187 /nfs/dbraw/zinc/43/21/87/1201432187.db2.gz TWUXYCRURUZUGP-YSTOQKLRSA-N 2 1 384.524 0.953 20 0 GCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675661 1201432191 /nfs/dbraw/zinc/43/21/91/1201432191.db2.gz TWUXYCRURUZUGP-YSTOQKLRSA-N 2 1 384.524 0.953 20 0 GCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675661 1201432195 /nfs/dbraw/zinc/43/21/95/1201432195.db2.gz TWUXYCRURUZUGP-YSTOQKLRSA-N 2 1 384.524 0.953 20 0 GCADMP CN(C)C(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)[C@@H]2C1 ZINC001084675661 1201432199 /nfs/dbraw/zinc/43/21/99/1201432199.db2.gz TWUXYCRURUZUGP-YSTOQKLRSA-N 2 1 384.524 0.953 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000731489677 1201485640 /nfs/dbraw/zinc/48/56/40/1201485640.db2.gz DHBRVWQFMSKBBJ-UHFFFAOYSA-N 2 1 385.578 0.116 20 0 GCADMP CC[N@H+]1CCC[C@H]1CNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731948441 1201510542 /nfs/dbraw/zinc/51/05/42/1201510542.db2.gz ZRPXLIDXAFIPNU-ZDUSSCGKSA-N 2 1 378.550 0.710 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2cc(=O)n3nccc3[nH]2)CC[N@H+]1C ZINC001085201969 1201633546 /nfs/dbraw/zinc/63/35/46/1201633546.db2.gz IDPYSAXPPKPMTB-MWQQHZPXSA-N 2 1 386.500 0.880 20 0 GCADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001085242784 1201648443 /nfs/dbraw/zinc/64/84/43/1201648443.db2.gz HKYJWZHHPBTQBX-MWQQHZPXSA-N 2 1 377.489 0.721 20 0 GCADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001085242784 1201648448 /nfs/dbraw/zinc/64/84/48/1201648448.db2.gz HKYJWZHHPBTQBX-MWQQHZPXSA-N 2 1 377.489 0.721 20 0 GCADMP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423665 1201842623 /nfs/dbraw/zinc/84/26/23/1201842623.db2.gz NAJXPNMGNLKTHK-OAHLLOKOSA-N 2 1 379.505 0.936 20 0 GCADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423665 1201842627 /nfs/dbraw/zinc/84/26/27/1201842627.db2.gz NAJXPNMGNLKTHK-OAHLLOKOSA-N 2 1 379.505 0.936 20 0 GCADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423665 1201842630 /nfs/dbraw/zinc/84/26/30/1201842630.db2.gz NAJXPNMGNLKTHK-OAHLLOKOSA-N 2 1 379.505 0.936 20 0 GCADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423665 1201842634 /nfs/dbraw/zinc/84/26/34/1201842634.db2.gz NAJXPNMGNLKTHK-OAHLLOKOSA-N 2 1 379.505 0.936 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000745824674 1201891385 /nfs/dbraw/zinc/89/13/85/1201891385.db2.gz KWZHNQBBKOZOAK-IEBWSBKVSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000745824676 1201891528 /nfs/dbraw/zinc/89/15/28/1201891528.db2.gz KWZHNQBBKOZOAK-PKOBYXMFSA-N 2 1 381.565 0.813 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000745830727 1201892131 /nfs/dbraw/zinc/89/21/31/1201892131.db2.gz PNXLVZGFRLSFMK-AEFFLSMTSA-N 2 1 395.548 0.516 20 0 GCADMP Cc1cccc(N2CC[NH+](CCC(=O)NC3CC[NH+](CC(N)=O)CC3)CC2)c1 ZINC000746112202 1201900219 /nfs/dbraw/zinc/90/02/19/1201900219.db2.gz JUZNVRJXOJDVLJ-UHFFFAOYSA-N 2 1 387.528 0.573 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398617 1201946214 /nfs/dbraw/zinc/94/62/14/1201946214.db2.gz SALNCVGGOFBVAA-VSZNYVQBSA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398617 1201946215 /nfs/dbraw/zinc/94/62/15/1201946215.db2.gz SALNCVGGOFBVAA-VSZNYVQBSA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398617 1201946216 /nfs/dbraw/zinc/94/62/16/1201946216.db2.gz SALNCVGGOFBVAA-VSZNYVQBSA-N 2 1 397.516 0.208 20 0 GCADMP CC(=O)N1CCC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001169609870 1201952859 /nfs/dbraw/zinc/95/28/59/1201952859.db2.gz LSFGIMZBMKYTMM-GOSISDBHSA-N 2 1 380.533 0.500 20 0 GCADMP CC(=O)N1CCC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001169609870 1201952860 /nfs/dbraw/zinc/95/28/60/1201952860.db2.gz LSFGIMZBMKYTMM-GOSISDBHSA-N 2 1 380.533 0.500 20 0 GCADMP C[C@@H]1C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000767612681 1201979791 /nfs/dbraw/zinc/97/97/91/1201979791.db2.gz QUIPDUUIBDOUPD-VQIMIIECSA-N 2 1 380.558 0.834 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109272419 1202010479 /nfs/dbraw/zinc/01/04/79/1202010479.db2.gz ITMAWAYAOUTYML-YDZRNGNQSA-N 2 1 380.533 0.733 20 0 GCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109272419 1202010481 /nfs/dbraw/zinc/01/04/81/1202010481.db2.gz ITMAWAYAOUTYML-YDZRNGNQSA-N 2 1 380.533 0.733 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001109272419 1202010484 /nfs/dbraw/zinc/01/04/84/1202010484.db2.gz ITMAWAYAOUTYML-YDZRNGNQSA-N 2 1 380.533 0.733 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN(C)S(C)(=O)=O)CC[N@@H+]1C ZINC001109306446 1202018969 /nfs/dbraw/zinc/01/89/69/1202018969.db2.gz YLHHEJCTVLSVEM-HMDCTGQHSA-N 2 1 386.562 0.330 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCN(C)S(C)(=O)=O)CC[N@H+]1C ZINC001109306446 1202018972 /nfs/dbraw/zinc/01/89/72/1202018972.db2.gz YLHHEJCTVLSVEM-HMDCTGQHSA-N 2 1 386.562 0.330 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001109306446 1202018975 /nfs/dbraw/zinc/01/89/75/1202018975.db2.gz YLHHEJCTVLSVEM-HMDCTGQHSA-N 2 1 386.562 0.330 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN(C)S(C)(=O)=O)CC[NH+]1C ZINC001109306446 1202018977 /nfs/dbraw/zinc/01/89/77/1202018977.db2.gz YLHHEJCTVLSVEM-HMDCTGQHSA-N 2 1 386.562 0.330 20 0 GCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109371743 1202031624 /nfs/dbraw/zinc/03/16/24/1202031624.db2.gz SKZWHILNQFBDOM-YDZRNGNQSA-N 2 1 380.533 0.735 20 0 GCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001109371743 1202031625 /nfs/dbraw/zinc/03/16/25/1202031625.db2.gz SKZWHILNQFBDOM-YDZRNGNQSA-N 2 1 380.533 0.735 20 0 GCADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001109371743 1202031627 /nfs/dbraw/zinc/03/16/27/1202031627.db2.gz SKZWHILNQFBDOM-YDZRNGNQSA-N 2 1 380.533 0.735 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408186 1202040761 /nfs/dbraw/zinc/04/07/61/1202040761.db2.gz KKLFUHCCGJCNNW-RANZSIQMSA-N 2 1 380.533 0.733 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408186 1202040763 /nfs/dbraw/zinc/04/07/63/1202040763.db2.gz KKLFUHCCGJCNNW-RANZSIQMSA-N 2 1 380.533 0.733 20 0 GCADMP COCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109408186 1202040766 /nfs/dbraw/zinc/04/07/66/1202040766.db2.gz KKLFUHCCGJCNNW-RANZSIQMSA-N 2 1 380.533 0.733 20 0 GCADMP COCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408186 1202040770 /nfs/dbraw/zinc/04/07/70/1202040770.db2.gz KKLFUHCCGJCNNW-RANZSIQMSA-N 2 1 380.533 0.733 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCCNC1=O ZINC001109449333 1202051786 /nfs/dbraw/zinc/05/17/86/1202051786.db2.gz PFVJRQOXKMBHBV-LTIDMASMSA-N 2 1 378.517 0.345 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCCNC1=O ZINC001109449333 1202051787 /nfs/dbraw/zinc/05/17/87/1202051787.db2.gz PFVJRQOXKMBHBV-LTIDMASMSA-N 2 1 378.517 0.345 20 0 GCADMP C[C@@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449418 1202052551 /nfs/dbraw/zinc/05/25/51/1202052551.db2.gz UKHSJLAHMBZCDN-YVSFHVDLSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449418 1202052552 /nfs/dbraw/zinc/05/25/52/1202052552.db2.gz UKHSJLAHMBZCDN-YVSFHVDLSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](CC)CC ZINC001109714267 1202109587 /nfs/dbraw/zinc/10/95/87/1202109587.db2.gz DUMIJMNMRMLURW-TWMKSMIVSA-N 2 1 378.517 0.977 20 0 GCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](CC)CC ZINC001109714267 1202109588 /nfs/dbraw/zinc/10/95/88/1202109588.db2.gz DUMIJMNMRMLURW-TWMKSMIVSA-N 2 1 378.517 0.977 20 0 GCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O)[NH+](CC)CC ZINC001109714212 1202109918 /nfs/dbraw/zinc/10/99/18/1202109918.db2.gz BTDZMIVQQKRTNP-XWSJACJDSA-N 2 1 382.549 0.981 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@@H]1CCOC1 ZINC001109847725 1202134917 /nfs/dbraw/zinc/13/49/17/1202134917.db2.gz DQLXDFPGMCBYHX-YRXWBPOGSA-N 2 1 381.517 0.626 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@@H]1CCOC1 ZINC001109847725 1202134918 /nfs/dbraw/zinc/13/49/18/1202134918.db2.gz DQLXDFPGMCBYHX-YRXWBPOGSA-N 2 1 381.517 0.626 20 0 GCADMP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001109856705 1202137402 /nfs/dbraw/zinc/13/74/02/1202137402.db2.gz YYZLYQUHAHYTIC-FZKCQIBNSA-N 2 1 381.521 0.803 20 0 GCADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(N)=O ZINC001109856705 1202137403 /nfs/dbraw/zinc/13/74/03/1202137403.db2.gz YYZLYQUHAHYTIC-FZKCQIBNSA-N 2 1 381.521 0.803 20 0 GCADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001109856705 1202137406 /nfs/dbraw/zinc/13/74/06/1202137406.db2.gz YYZLYQUHAHYTIC-FZKCQIBNSA-N 2 1 381.521 0.803 20 0 GCADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC001109856705 1202137409 /nfs/dbraw/zinc/13/74/09/1202137409.db2.gz YYZLYQUHAHYTIC-FZKCQIBNSA-N 2 1 381.521 0.803 20 0 GCADMP C[C@@H]1[C@H](C)N(C(=O)COCCOCC(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)CC[NH+]1C ZINC000771392751 1202139525 /nfs/dbraw/zinc/13/95/25/1202139525.db2.gz AIFNHGLSSGPWDB-BDXSIMOUSA-N 2 1 398.548 0.122 20 0 GCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001109867103 1202140179 /nfs/dbraw/zinc/14/01/79/1202140179.db2.gz TZDFEJXIWBFVAL-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CCN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902556 1202146644 /nfs/dbraw/zinc/14/66/44/1202146644.db2.gz PXFTVPYCVYLZMJ-LAVFITLUSA-N 2 1 378.517 0.440 20 0 GCADMP CCN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902556 1202146645 /nfs/dbraw/zinc/14/66/45/1202146645.db2.gz PXFTVPYCVYLZMJ-LAVFITLUSA-N 2 1 378.517 0.440 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928065 1202151718 /nfs/dbraw/zinc/15/17/18/1202151718.db2.gz FYFHRMMHTPZQOF-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928065 1202151719 /nfs/dbraw/zinc/15/17/19/1202151719.db2.gz FYFHRMMHTPZQOF-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928065 1202151724 /nfs/dbraw/zinc/15/17/24/1202151724.db2.gz FYFHRMMHTPZQOF-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928065 1202151726 /nfs/dbraw/zinc/15/17/26/1202151726.db2.gz FYFHRMMHTPZQOF-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(C(=O)NCCO)CC1)c1ccccc1 ZINC000771755839 1202157280 /nfs/dbraw/zinc/15/72/80/1202157280.db2.gz JAIXJJZGKGVQKN-GOSISDBHSA-N 2 1 376.501 0.226 20 0 GCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001110002417 1202173018 /nfs/dbraw/zinc/17/30/18/1202173018.db2.gz GJGXOXMHPZLUIM-PMPSAXMXSA-N 2 1 379.505 0.382 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613626 1205394869 /nfs/dbraw/zinc/39/48/69/1205394869.db2.gz AUOLLPGTNADBRJ-CEXWTWQISA-N 2 1 394.560 0.839 20 0 GCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787623364 1205395519 /nfs/dbraw/zinc/39/55/19/1205395519.db2.gz SKEHGGKMNBWBBI-RTBURBONSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787623364 1205395522 /nfs/dbraw/zinc/39/55/22/1205395522.db2.gz SKEHGGKMNBWBBI-RTBURBONSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787623364 1205395525 /nfs/dbraw/zinc/39/55/25/1205395525.db2.gz SKEHGGKMNBWBBI-RTBURBONSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787623364 1205395527 /nfs/dbraw/zinc/39/55/27/1205395527.db2.gz SKEHGGKMNBWBBI-RTBURBONSA-N 2 1 386.496 0.140 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000787913020 1205407866 /nfs/dbraw/zinc/40/78/66/1205407866.db2.gz ULNCGLPRNUEGQI-SFHVURJKSA-N 2 1 381.565 0.511 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788566252 1205425723 /nfs/dbraw/zinc/42/57/23/1205425723.db2.gz ZMLAIOUCSANYAG-SJORKVTESA-N 2 1 382.468 0.935 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788566252 1205425725 /nfs/dbraw/zinc/42/57/25/1205425725.db2.gz ZMLAIOUCSANYAG-SJORKVTESA-N 2 1 382.468 0.935 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788566250 1205425799 /nfs/dbraw/zinc/42/57/99/1205425799.db2.gz ZMLAIOUCSANYAG-IRXDYDNUSA-N 2 1 382.468 0.935 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000788566250 1205425801 /nfs/dbraw/zinc/42/58/01/1205425801.db2.gz ZMLAIOUCSANYAG-IRXDYDNUSA-N 2 1 382.468 0.935 20 0 GCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000792241605 1205485260 /nfs/dbraw/zinc/48/52/60/1205485260.db2.gz LGWDRGVWMYCHDU-QGZVFWFLSA-N 2 1 398.548 0.892 20 0 GCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]c(N3CCOCC3)nc3[nH]ccc32)O1 ZINC001170270410 1205490251 /nfs/dbraw/zinc/49/02/51/1205490251.db2.gz ISVIYZJENRYLIZ-CPUCHLNUSA-N 2 1 376.461 0.931 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793710567 1205503070 /nfs/dbraw/zinc/50/30/70/1205503070.db2.gz SNQXAFAYBFBPSS-IRXDYDNUSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCCCC1 ZINC000793710568 1205503130 /nfs/dbraw/zinc/50/31/30/1205503130.db2.gz SNQXAFAYBFBPSS-SJORKVTESA-N 2 1 380.533 0.689 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000793720782 1205503439 /nfs/dbraw/zinc/50/34/39/1205503439.db2.gz HRJLZRHOYMQAAE-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000793720782 1205503440 /nfs/dbraw/zinc/50/34/40/1205503440.db2.gz HRJLZRHOYMQAAE-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC000793738791 1205505465 /nfs/dbraw/zinc/50/54/65/1205505465.db2.gz VTNMRURWZNYVMH-SFHVURJKSA-N 2 1 393.576 0.604 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000793805178 1205506520 /nfs/dbraw/zinc/50/65/20/1205506520.db2.gz MULQGOLXYDWMEW-PBHICJAKSA-N 2 1 384.484 0.991 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000793805178 1205506521 /nfs/dbraw/zinc/50/65/21/1205506521.db2.gz MULQGOLXYDWMEW-PBHICJAKSA-N 2 1 384.484 0.991 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793802834 1205506660 /nfs/dbraw/zinc/50/66/60/1205506660.db2.gz ORXIANUHTUYHBB-IAGOWNOFSA-N 2 1 398.467 0.171 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793802834 1205506662 /nfs/dbraw/zinc/50/66/62/1205506662.db2.gz ORXIANUHTUYHBB-IAGOWNOFSA-N 2 1 398.467 0.171 20 0 GCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000793850349 1205507714 /nfs/dbraw/zinc/50/77/14/1205507714.db2.gz XEDNRTALYJOPIY-BRWVUGGUSA-N 2 1 392.500 0.758 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793909440 1205509257 /nfs/dbraw/zinc/50/92/57/1205509257.db2.gz GYEBFNJRECSVFJ-IKGGRYGDSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000793909440 1205509258 /nfs/dbraw/zinc/50/92/58/1205509258.db2.gz GYEBFNJRECSVFJ-IKGGRYGDSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000793909440 1205509259 /nfs/dbraw/zinc/50/92/59/1205509259.db2.gz GYEBFNJRECSVFJ-IKGGRYGDSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)O1 ZINC001129912395 1205522795 /nfs/dbraw/zinc/52/27/95/1205522795.db2.gz CNNQTQVYPJXISG-WCXIOVBPSA-N 2 1 378.521 0.775 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)[C@@H](n3ccnn3)C2)O1 ZINC001129912395 1205522796 /nfs/dbraw/zinc/52/27/96/1205522796.db2.gz CNNQTQVYPJXISG-WCXIOVBPSA-N 2 1 378.521 0.775 20 0 GCADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912433 1205522894 /nfs/dbraw/zinc/52/28/94/1205522894.db2.gz FVTABIYNNGOSII-ZJPYXAASSA-N 2 1 378.521 0.919 20 0 GCADMP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912433 1205522896 /nfs/dbraw/zinc/52/28/96/1205522896.db2.gz FVTABIYNNGOSII-ZJPYXAASSA-N 2 1 378.521 0.919 20 0 GCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130592770 1205554200 /nfs/dbraw/zinc/55/42/00/1205554200.db2.gz DKFUYXPZPHUEDZ-XLMAVXFVSA-N 2 1 390.532 0.169 20 0 GCADMP C[NH+](C)CCn1ncc(C(=O)NC2CC[NH+](CC(N)=O)CC2)c1-c1ccccc1 ZINC000806361285 1205555617 /nfs/dbraw/zinc/55/56/17/1205555617.db2.gz KFERQKZKFCHLQU-UHFFFAOYSA-N 2 1 398.511 0.791 20 0 GCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614691 1205555668 /nfs/dbraw/zinc/55/56/68/1205555668.db2.gz BHZUAKUBXWEIEZ-CYGHRXIMSA-N 2 1 379.505 0.060 20 0 GCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614691 1205555670 /nfs/dbraw/zinc/55/56/70/1205555670.db2.gz BHZUAKUBXWEIEZ-CYGHRXIMSA-N 2 1 379.505 0.060 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C\Cl)C2)O1 ZINC001130615304 1205555749 /nfs/dbraw/zinc/55/57/49/1205555749.db2.gz PNIARPUOYJIRLU-LMWPNXNLSA-N 2 1 381.908 0.776 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C\Cl)C2)O1 ZINC001130615304 1205555753 /nfs/dbraw/zinc/55/57/53/1205555753.db2.gz PNIARPUOYJIRLU-LMWPNXNLSA-N 2 1 381.908 0.776 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCF)O3)n[nH]2)CC[N@H+]1C ZINC001130782932 1205570025 /nfs/dbraw/zinc/57/00/25/1205570025.db2.gz GMMKHZNVJFZWBN-BYNSBNAKSA-N 2 1 382.484 0.930 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CC[N@@H+]1C ZINC001130782932 1205570026 /nfs/dbraw/zinc/57/00/26/1205570026.db2.gz GMMKHZNVJFZWBN-BYNSBNAKSA-N 2 1 382.484 0.930 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCF)O3)n2)CC[N@H+]1C ZINC001130782932 1205570028 /nfs/dbraw/zinc/57/00/28/1205570028.db2.gz GMMKHZNVJFZWBN-BYNSBNAKSA-N 2 1 382.484 0.930 20 0 GCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994411 1205585091 /nfs/dbraw/zinc/58/50/91/1205585091.db2.gz ZDBHQMCRMFKLAN-BRSBDYLESA-N 2 1 393.532 0.307 20 0 GCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014560 1205587839 /nfs/dbraw/zinc/58/78/39/1205587839.db2.gz AETUMYGTIYSBSM-YWTNHNAXSA-N 2 1 393.532 0.450 20 0 GCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014560 1205587840 /nfs/dbraw/zinc/58/78/40/1205587840.db2.gz AETUMYGTIYSBSM-YWTNHNAXSA-N 2 1 393.532 0.450 20 0 GCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014648 1205587845 /nfs/dbraw/zinc/58/78/45/1205587845.db2.gz DRWZLNLHWNUCJM-YWTNHNAXSA-N 2 1 375.517 0.989 20 0 GCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014648 1205587846 /nfs/dbraw/zinc/58/78/46/1205587846.db2.gz DRWZLNLHWNUCJM-YWTNHNAXSA-N 2 1 375.517 0.989 20 0 GCADMP NC(=O)C[C@H]1CC[N@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227809 1205603130 /nfs/dbraw/zinc/60/31/30/1205603130.db2.gz DNWPHFZXQSOBPU-UTKZUKDTSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@H]1CC[N@@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227809 1205603132 /nfs/dbraw/zinc/60/31/32/1205603132.db2.gz DNWPHFZXQSOBPU-UTKZUKDTSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@H]1CC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227809 1205603135 /nfs/dbraw/zinc/60/31/35/1205603135.db2.gz DNWPHFZXQSOBPU-UTKZUKDTSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@H]1CC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227809 1205603137 /nfs/dbraw/zinc/60/31/37/1205603137.db2.gz DNWPHFZXQSOBPU-UTKZUKDTSA-N 2 1 399.495 0.728 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC3CC3)CC2)CC[N@H+]1C ZINC001131500196 1205613380 /nfs/dbraw/zinc/61/33/80/1205613380.db2.gz MGSMGQOZIUUXIZ-ZESCBINXSA-N 2 1 392.544 0.591 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170563560 1205613455 /nfs/dbraw/zinc/61/34/55/1205613455.db2.gz MGGLHNLVAQICMS-VYDXJSESSA-N 2 1 394.516 0.976 20 0 GCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131522399 1205616831 /nfs/dbraw/zinc/61/68/31/1205616831.db2.gz FYVYOVDIHQNZPQ-OWYHZJEWSA-N 2 1 383.533 0.728 20 0 GCADMP COCCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131522399 1205616833 /nfs/dbraw/zinc/61/68/33/1205616833.db2.gz FYVYOVDIHQNZPQ-OWYHZJEWSA-N 2 1 383.533 0.728 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000809441636 1205625033 /nfs/dbraw/zinc/62/50/33/1205625033.db2.gz HZEXFVBYAZSPOP-CRAIPNDOSA-N 2 1 376.501 0.542 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000809441636 1205625040 /nfs/dbraw/zinc/62/50/40/1205625040.db2.gz HZEXFVBYAZSPOP-CRAIPNDOSA-N 2 1 376.501 0.542 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCc1ccco1 ZINC001110103248 1205659394 /nfs/dbraw/zinc/65/93/94/1205659394.db2.gz LBXUSKNSAYNGGD-NEPXVJNWSA-N 2 1 377.485 0.974 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCc1ccco1 ZINC001110103248 1205659395 /nfs/dbraw/zinc/65/93/95/1205659395.db2.gz LBXUSKNSAYNGGD-NEPXVJNWSA-N 2 1 377.485 0.974 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CCC3=O)C2)CC[N@H+]1C ZINC001086701320 1205661266 /nfs/dbraw/zinc/66/12/66/1205661266.db2.gz PLLFMCZUBMKDAF-VVLHAWIVSA-N 2 1 378.517 0.740 20 0 GCADMP O=C(CNC(=S)NCCC[NH+]1CCOCC1)NCC[NH+]1CCCCCC1 ZINC000814206907 1205688309 /nfs/dbraw/zinc/68/83/09/1205688309.db2.gz LANRQICYEBSVOT-UHFFFAOYSA-N 2 1 385.578 0.165 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001172252648 1205715108 /nfs/dbraw/zinc/71/51/08/1205715108.db2.gz UPATXSCUGNYGLL-SJORKVTESA-N 2 1 388.578 0.547 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@H]3CCN(S(=O)(=O)N(C)C)C[C@@H]3C2)CC1 ZINC001172252648 1205715109 /nfs/dbraw/zinc/71/51/09/1205715109.db2.gz UPATXSCUGNYGLL-SJORKVTESA-N 2 1 388.578 0.547 20 0 GCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@@H+](C3CC[NH+](CCCOC)CC3)C2)C1 ZINC001172250821 1205715363 /nfs/dbraw/zinc/71/53/63/1205715363.db2.gz HVKXMBBBVOESSC-OAQYLSRUSA-N 2 1 396.576 0.648 20 0 GCADMP CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C3CC[NH+](CCCOC)CC3)C2)C1 ZINC001172250821 1205715364 /nfs/dbraw/zinc/71/53/64/1205715364.db2.gz HVKXMBBBVOESSC-OAQYLSRUSA-N 2 1 396.576 0.648 20 0 GCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](C2CCN(CC(=O)OC(C)(C)C)CC2)C1 ZINC001172899484 1205717597 /nfs/dbraw/zinc/71/75/97/1205717597.db2.gz ZRTYZVCGGYSKOU-MRXNPFEDSA-N 2 1 382.549 0.935 20 0 GCADMP C[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](C2CCN(CC(=O)OC(C)(C)C)CC2)C1 ZINC001172899484 1205717598 /nfs/dbraw/zinc/71/75/98/1205717598.db2.gz ZRTYZVCGGYSKOU-MRXNPFEDSA-N 2 1 382.549 0.935 20 0 GCADMP COC(=O)[C@H]1C[C@@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517939 1205723303 /nfs/dbraw/zinc/72/33/03/1205723303.db2.gz TYNZUQWKCIVMJK-RBUKOAKNSA-N 2 1 388.512 0.799 20 0 GCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749971 1205727252 /nfs/dbraw/zinc/72/72/52/1205727252.db2.gz DJAHNQOITLWWSY-QZTJIDSGSA-N 2 1 385.516 0.981 20 0 GCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccn[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001175762211 1205740968 /nfs/dbraw/zinc/74/09/68/1205740968.db2.gz QIMDXQZJMQBGQJ-AHMROAQXSA-N 2 1 397.520 0.248 20 0 GCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N[C@@H](CO)Cc3cnc[nH]3)CC2)CC1 ZINC001179015238 1205799589 /nfs/dbraw/zinc/79/95/89/1205799589.db2.gz URLCZAMBBMIOFU-QGZVFWFLSA-N 2 1 377.489 0.152 20 0 GCADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCC[NH2+]CCO)C2)CC1 ZINC001179379125 1205809418 /nfs/dbraw/zinc/80/94/18/1205809418.db2.gz GHTYWJBYGGPMPR-MRXNPFEDSA-N 2 1 398.548 0.796 20 0 GCADMP CC(C)N(C(=O)[C@H](C)[NH+](C)C)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001180860161 1205834329 /nfs/dbraw/zinc/83/43/29/1205834329.db2.gz BYFNQODZJFIBQH-HNNXBMFYSA-N 2 1 390.532 0.693 20 0 GCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001181975274 1205853333 /nfs/dbraw/zinc/85/33/33/1205853333.db2.gz BNDMWUAQYZPDBG-SFHVURJKSA-N 2 1 393.576 0.414 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013357 1205854614 /nfs/dbraw/zinc/85/46/14/1205854614.db2.gz YYQYRZYMGXQGAK-FXAWDEMLSA-N 2 1 378.517 0.015 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013357 1205854615 /nfs/dbraw/zinc/85/46/15/1205854615.db2.gz YYQYRZYMGXQGAK-FXAWDEMLSA-N 2 1 378.517 0.015 20 0 GCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001183669161 1205897363 /nfs/dbraw/zinc/89/73/63/1205897363.db2.gz BGYQKPHSEXUCPB-SFHVURJKSA-N 2 1 383.533 0.777 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001186044991 1205933985 /nfs/dbraw/zinc/93/39/85/1205933985.db2.gz NYJVJFVBINUJBX-IAGOWNOFSA-N 2 1 396.532 0.643 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001186044991 1205933987 /nfs/dbraw/zinc/93/39/87/1205933987.db2.gz NYJVJFVBINUJBX-IAGOWNOFSA-N 2 1 396.532 0.643 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[N@H+]1C ZINC001187971359 1205972856 /nfs/dbraw/zinc/97/28/56/1205972856.db2.gz KELKSJYOYXNYOA-MWDXBVQZSA-N 2 1 386.562 0.141 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187971359 1205972860 /nfs/dbraw/zinc/97/28/60/1205972860.db2.gz KELKSJYOYXNYOA-MWDXBVQZSA-N 2 1 386.562 0.141 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]32)CC[NH+]1C ZINC001187971359 1205972862 /nfs/dbraw/zinc/97/28/62/1205972862.db2.gz KELKSJYOYXNYOA-MWDXBVQZSA-N 2 1 386.562 0.141 20 0 GCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001110416911 1206015425 /nfs/dbraw/zinc/01/54/25/1206015425.db2.gz BBBHBFLBKRMUMJ-BDXSIMOUSA-N 2 1 376.505 0.501 20 0 GCADMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001110416911 1206015428 /nfs/dbraw/zinc/01/54/28/1206015428.db2.gz BBBHBFLBKRMUMJ-BDXSIMOUSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)C1 ZINC001110416911 1206015432 /nfs/dbraw/zinc/01/54/32/1206015432.db2.gz BBBHBFLBKRMUMJ-BDXSIMOUSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCn2cncn2)C1 ZINC001110416911 1206015438 /nfs/dbraw/zinc/01/54/38/1206015438.db2.gz BBBHBFLBKRMUMJ-BDXSIMOUSA-N 2 1 376.505 0.501 20 0 GCADMP CNS(=O)(=O)c1cccnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681573 719629446 /nfs/dbraw/zinc/62/94/46/719629446.db2.gz IHJBVIIKIZNSBG-UHFFFAOYSA-N 2 1 378.502 0.661 20 0 GCADMP CNS(=O)(=O)c1cccnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681573 719629453 /nfs/dbraw/zinc/62/94/53/719629453.db2.gz IHJBVIIKIZNSBG-UHFFFAOYSA-N 2 1 378.502 0.661 20 0 GCADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(S(N)(=O)=O)cc2F)c2c1CC[NH2+]C2 ZINC001164682785 719652241 /nfs/dbraw/zinc/65/22/41/719652241.db2.gz SWVBMSOMXPESQX-UHFFFAOYSA-N 2 1 382.465 0.540 20 0 GCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(S(N)(=O)=O)cc2F)c2c1CC[NH2+]C2 ZINC001164682785 719652248 /nfs/dbraw/zinc/65/22/48/719652248.db2.gz SWVBMSOMXPESQX-UHFFFAOYSA-N 2 1 382.465 0.540 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164723942 720299075 /nfs/dbraw/zinc/29/90/75/720299075.db2.gz YXOAODRLZUSZBJ-FQEVSTJZSA-N 2 1 384.484 0.932 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164723942 720299082 /nfs/dbraw/zinc/29/90/82/720299082.db2.gz YXOAODRLZUSZBJ-FQEVSTJZSA-N 2 1 384.484 0.932 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745809 720769128 /nfs/dbraw/zinc/76/91/28/720769128.db2.gz VWPROYGSYWMZFD-DOTOQJQBSA-N 2 1 397.483 0.739 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@H]2C1 ZINC001164846338 720833106 /nfs/dbraw/zinc/83/31/06/720833106.db2.gz DOBPGNWRWSYZBH-BBRMVZONSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164857389 720868495 /nfs/dbraw/zinc/86/84/95/720868495.db2.gz QRPMCTAAMLNSNU-PKOBYXMFSA-N 2 1 375.517 0.665 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc4c(nn3)CC[NH2+]C4)CC2)C1 ZINC001164875278 721279481 /nfs/dbraw/zinc/27/94/81/721279481.db2.gz UVOYCBRFVMGEGW-UHFFFAOYSA-N 2 1 388.516 0.129 20 0 GCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889745 721391902 /nfs/dbraw/zinc/39/19/02/721391902.db2.gz MAAUJZRDXAFCHD-NQIIRXRSSA-N 2 1 386.544 0.888 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cc(C4C[NH2+]C4)ncn2)CC3)CC1 ZINC001165003332 722240692 /nfs/dbraw/zinc/24/06/92/722240692.db2.gz JYNRJTXYKLTPFI-UHFFFAOYSA-N 2 1 380.500 0.310 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000821599302 945736696 /nfs/dbraw/zinc/73/66/96/945736696.db2.gz OADMITQIWJAKFF-UHFFFAOYSA-N 2 1 386.504 0.765 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712166 949571412 /nfs/dbraw/zinc/57/14/12/949571412.db2.gz PTYWTJBYPSQJMQ-SWLSCSKDSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575272964 949654260 /nfs/dbraw/zinc/65/42/60/949654260.db2.gz SUZGBCQCSXHCCO-GFCCVEGCSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720648 949799845 /nfs/dbraw/zinc/79/98/45/949799845.db2.gz FJVDEHFCKSGOIU-HNNXBMFYSA-N 2 1 387.488 0.526 20 0 GCADMP C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722545 949839386 /nfs/dbraw/zinc/83/93/86/949839386.db2.gz URNPXRVKCXTOQA-HNNXBMFYSA-N 2 1 387.488 0.526 20 0 GCADMP C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722546 949840904 /nfs/dbraw/zinc/84/09/04/949840904.db2.gz URNPXRVKCXTOQA-OAHLLOKOSA-N 2 1 387.488 0.526 20 0 GCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184575 950132146 /nfs/dbraw/zinc/13/21/46/950132146.db2.gz VYEWVQCPYXTNNK-GJZGRUSLSA-N 2 1 386.504 0.920 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192111 950227763 /nfs/dbraw/zinc/22/77/63/950227763.db2.gz JUJAXDLPWJGWQT-GOEBONIOSA-N 2 1 387.488 0.117 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193288 950291946 /nfs/dbraw/zinc/29/19/46/950291946.db2.gz SCWIHEWAASTYMW-DYVFJYSZSA-N 2 1 384.488 0.674 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194237 950332367 /nfs/dbraw/zinc/33/23/67/950332367.db2.gz YAKILJGJCBAQFR-WMLDXEAASA-N 2 1 387.488 0.117 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196985 950377223 /nfs/dbraw/zinc/37/72/23/950377223.db2.gz LAFXLJTZFQCEDS-AWEZNQCLSA-N 2 1 384.488 0.818 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197398 950391379 /nfs/dbraw/zinc/39/13/79/950391379.db2.gz MZUOBHHWPVHILT-CJNGLKHVSA-N 2 1 384.488 0.674 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197397 950391990 /nfs/dbraw/zinc/39/19/90/950391990.db2.gz MZUOBHHWPVHILT-BBRMVZONSA-N 2 1 384.488 0.674 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197454 950396234 /nfs/dbraw/zinc/39/62/34/950396234.db2.gz OKFPQQZKPXMDBS-LSDHHAIUSA-N 2 1 384.488 0.676 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198014 950404931 /nfs/dbraw/zinc/40/49/31/950404931.db2.gz RBHCXAYRMXWYQE-HUUCEWRRSA-N 2 1 384.488 0.888 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204885 950481506 /nfs/dbraw/zinc/48/15/06/950481506.db2.gz DFZKOAFHOOBPSZ-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207435 950595372 /nfs/dbraw/zinc/59/53/72/950595372.db2.gz HWKVEQHWAXJIFD-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207727 950602416 /nfs/dbraw/zinc/60/24/16/950602416.db2.gz IXHGZZYPESUENJ-CYBMUJFWSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207727 950602421 /nfs/dbraw/zinc/60/24/21/950602421.db2.gz IXHGZZYPESUENJ-CYBMUJFWSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207727 950602429 /nfs/dbraw/zinc/60/24/29/950602429.db2.gz IXHGZZYPESUENJ-CYBMUJFWSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208367 950608575 /nfs/dbraw/zinc/60/85/75/950608575.db2.gz OOUJLSGQWGPPSL-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213476 950628532 /nfs/dbraw/zinc/62/85/32/950628532.db2.gz ASCNIFBKNGDXQO-CKNFYHOISA-N 2 1 381.484 0.755 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213476 950628545 /nfs/dbraw/zinc/62/85/45/950628545.db2.gz ASCNIFBKNGDXQO-CKNFYHOISA-N 2 1 381.484 0.755 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213476 950628562 /nfs/dbraw/zinc/62/85/62/950628562.db2.gz ASCNIFBKNGDXQO-CKNFYHOISA-N 2 1 381.484 0.755 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079511 951693233 /nfs/dbraw/zinc/69/32/33/951693233.db2.gz QFASXWDKGGXUOA-LRDDRELGSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079511 951693239 /nfs/dbraw/zinc/69/32/39/951693239.db2.gz QFASXWDKGGXUOA-LRDDRELGSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082456 951733932 /nfs/dbraw/zinc/73/39/32/951733932.db2.gz ZEDZOCGLIFKBGL-BLLLJJGKSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082456 951733938 /nfs/dbraw/zinc/73/39/38/951733938.db2.gz ZEDZOCGLIFKBGL-BLLLJJGKSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089066 951746420 /nfs/dbraw/zinc/74/64/20/951746420.db2.gz CYGDKXSYRKDIRP-IUODEOHRSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120503 952505264 /nfs/dbraw/zinc/50/52/64/952505264.db2.gz MLULHSPJZXVFOB-QWHCGFSZSA-N 2 1 375.502 0.961 20 0 GCADMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571212298 953086745 /nfs/dbraw/zinc/08/67/45/953086745.db2.gz KZUQHMYZLIOIBW-WTTBNOFXSA-N 2 1 382.472 0.685 20 0 GCADMP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217656 953110298 /nfs/dbraw/zinc/11/02/98/953110298.db2.gz GXTDNAMKTFWFOV-YOEHRIQHSA-N 2 1 382.472 0.927 20 0 GCADMP O=C([C@@H]1CCC[C@H]2CCC[N@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217656 953110299 /nfs/dbraw/zinc/11/02/99/953110299.db2.gz GXTDNAMKTFWFOV-YOEHRIQHSA-N 2 1 382.472 0.927 20 0 GCADMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252705 953331593 /nfs/dbraw/zinc/33/15/93/953331593.db2.gz URFGFTGZKGCJRJ-GJZGRUSLSA-N 2 1 384.488 0.818 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261800768 530270011 /nfs/dbraw/zinc/27/00/11/530270011.db2.gz USWCCDPJULVEBJ-LLVKDONJSA-N 2 1 384.278 0.570 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261800768 530270012 /nfs/dbraw/zinc/27/00/12/530270012.db2.gz USWCCDPJULVEBJ-LLVKDONJSA-N 2 1 384.278 0.570 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])S(C)(=O)=O ZINC000652355035 530460517 /nfs/dbraw/zinc/46/05/17/530460517.db2.gz NROOWURCOZEIRZ-HOTGVXAUSA-N 2 1 376.567 0.612 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])S(C)(=O)=O ZINC000652355035 530460518 /nfs/dbraw/zinc/46/05/18/530460518.db2.gz NROOWURCOZEIRZ-HOTGVXAUSA-N 2 1 376.567 0.612 20 0 GCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000638639989 530475207 /nfs/dbraw/zinc/47/52/07/530475207.db2.gz XZAQUSWOXNYVSK-MRXNPFEDSA-N 2 1 377.551 0.300 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000330691151 530523635 /nfs/dbraw/zinc/52/36/35/530523635.db2.gz YWHAIFQWGZZGFS-MRXNPFEDSA-N 2 1 376.567 0.690 20 0 GCADMP O=c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)nc2ccc(Br)cn12 ZINC000326310929 530575828 /nfs/dbraw/zinc/57/58/28/530575828.db2.gz LHLBQHWSJUOHAY-HNNXBMFYSA-N 2 1 392.301 0.937 20 0 GCADMP C[N@H+](CCOCC[NH3+])CC(=O)NCC(=O)Nc1ccccc1Br ZINC000629580304 530582244 /nfs/dbraw/zinc/58/22/44/530582244.db2.gz WESLKFWTLBLIIP-UHFFFAOYSA-N 2 1 387.278 0.411 20 0 GCADMP C[N@@H+](CCOCC[NH3+])CC(=O)NCC(=O)Nc1ccccc1Br ZINC000629580304 530582247 /nfs/dbraw/zinc/58/22/47/530582247.db2.gz WESLKFWTLBLIIP-UHFFFAOYSA-N 2 1 387.278 0.411 20 0 GCADMP CSCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CCSC)CC1 ZINC000485425283 530798708 /nfs/dbraw/zinc/79/87/08/530798708.db2.gz BXUSBSIEQORHRM-UHFFFAOYSA-N 2 1 376.592 0.247 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656892110 530857656 /nfs/dbraw/zinc/85/76/56/530857656.db2.gz WZSUBROTRGOSGC-INIZCTEOSA-N 2 1 376.567 0.690 20 0 GCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000642381268 531065378 /nfs/dbraw/zinc/06/53/78/531065378.db2.gz VXHVHNJNIYKKIB-GFCCVEGCSA-N 2 1 397.317 0.993 20 0 GCADMP CNS(=O)(=O)CCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539150594 531038920 /nfs/dbraw/zinc/03/89/20/531038920.db2.gz ZYFJDKRTWDUSBX-HZPDHXFCSA-N 2 1 377.551 0.516 20 0 GCADMP CN(CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000438363841 531154001 /nfs/dbraw/zinc/15/40/01/531154001.db2.gz MBRUIYHZXSVBOQ-HUUCEWRRSA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@@H]1CCSC1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000438363841 531154002 /nfs/dbraw/zinc/15/40/02/531154002.db2.gz MBRUIYHZXSVBOQ-HUUCEWRRSA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@@H]1CCSC1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000438363841 531154003 /nfs/dbraw/zinc/15/40/03/531154003.db2.gz MBRUIYHZXSVBOQ-HUUCEWRRSA-N 2 1 388.603 0.436 20 0 GCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568816 598521725 /nfs/dbraw/zinc/52/17/25/598521725.db2.gz NOKOLWIJMPRYFG-OAHLLOKOSA-N 2 1 388.524 0.112 20 0 GCADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826505804 608382936 /nfs/dbraw/zinc/38/29/36/608382936.db2.gz FRWVBRYWSAEXAQ-UHFFFAOYSA-N 2 1 388.472 0.405 20 0 GCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000911630583 639520110 /nfs/dbraw/zinc/52/01/10/639520110.db2.gz SHYTTYJHXYAEBX-OAHLLOKOSA-N 2 1 385.306 0.869 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H](C)C1 ZINC000772946625 640852696 /nfs/dbraw/zinc/85/26/96/640852696.db2.gz ODCKOAUZKHRSPA-SJORKVTESA-N 2 1 377.551 0.375 20 0 GCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H](C)C1 ZINC000772946625 640852702 /nfs/dbraw/zinc/85/27/02/640852702.db2.gz ODCKOAUZKHRSPA-SJORKVTESA-N 2 1 377.551 0.375 20 0 GCADMP O=S(=O)(CC[NH+]1C[C@@H]2CSC[C@@H]2C1)CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886566490 641843810 /nfs/dbraw/zinc/84/38/10/641843810.db2.gz RHLWNRQGOGRCGY-GEEKYZPCSA-N 2 1 376.613 0.991 20 0 GCADMP O=S(=O)(CC[NH+]1C[C@@H]2CSC[C@@H]2C1)CC[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886566490 641843816 /nfs/dbraw/zinc/84/38/16/641843816.db2.gz RHLWNRQGOGRCGY-GEEKYZPCSA-N 2 1 376.613 0.991 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950358 1192165925 /nfs/dbraw/zinc/16/59/25/1192165925.db2.gz GTTHAPLHESVOSO-WDSOQIARSA-N 2 1 388.512 0.336 20 0 GCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)[C@H]2C1 ZINC000893494589 1192166841 /nfs/dbraw/zinc/16/68/41/1192166841.db2.gz PMMSPNUJRFPWSY-SJORKVTESA-N 2 1 379.549 0.959 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000662965020 1192172053 /nfs/dbraw/zinc/17/20/53/1192172053.db2.gz BVLUKAIJIPSKLD-ZCNNSNEGSA-N 2 1 384.524 0.972 20 0 GCADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017170 1192186092 /nfs/dbraw/zinc/18/60/92/1192186092.db2.gz IRNKGYGXBPPQMU-LSDHHAIUSA-N 2 1 398.515 0.639 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345341 1192197455 /nfs/dbraw/zinc/19/74/55/1192197455.db2.gz AIJXDRGWPSEEIH-VBQJREDUSA-N 2 1 396.513 0.491 20 0 GCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345963 1192197559 /nfs/dbraw/zinc/19/75/59/1192197559.db2.gz PZPOTCAKMHQINV-VBQJREDUSA-N 2 1 396.513 0.491 20 0 GCADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347100 1192198195 /nfs/dbraw/zinc/19/81/95/1192198195.db2.gz RQTZVDGWJKUTQL-DAYGRLMNSA-N 2 1 383.514 0.931 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)C1 ZINC000652348152 1192199098 /nfs/dbraw/zinc/19/90/98/1192199098.db2.gz WAOWEVBHKITHIQ-KSZLIROESA-N 2 1 378.517 0.286 20 0 GCADMP C[C@@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353488 1192201746 /nfs/dbraw/zinc/20/17/46/1192201746.db2.gz LRBVBDJDLJKJDZ-RHSMWYFYSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353488 1192201751 /nfs/dbraw/zinc/20/17/51/1192201751.db2.gz LRBVBDJDLJKJDZ-RHSMWYFYSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000663085045 1192208179 /nfs/dbraw/zinc/20/81/79/1192208179.db2.gz HBXVFZQEJSRDPM-DYVFJYSZSA-N 2 1 396.463 0.540 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000663085045 1192208182 /nfs/dbraw/zinc/20/81/82/1192208182.db2.gz HBXVFZQEJSRDPM-DYVFJYSZSA-N 2 1 396.463 0.540 20 0 GCADMP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000652433139 1192221445 /nfs/dbraw/zinc/22/14/45/1192221445.db2.gz TZWWPTSKCMRNAD-APWZRJJASA-N 2 1 394.560 0.480 20 0 GCADMP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000652433139 1192221449 /nfs/dbraw/zinc/22/14/49/1192221449.db2.gz TZWWPTSKCMRNAD-APWZRJJASA-N 2 1 394.560 0.480 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527851 1192235915 /nfs/dbraw/zinc/23/59/15/1192235915.db2.gz BVRKJVODGDTCPO-SIKLNZKXSA-N 2 1 384.524 0.926 20 0 GCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000662263539 1192272980 /nfs/dbraw/zinc/27/29/80/1192272980.db2.gz CCIUKFJRAGEGCG-SJLPKXTDSA-N 2 1 394.541 0.675 20 0 GCADMP O=C(CC[N@H+]1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000662309536 1192282291 /nfs/dbraw/zinc/28/22/91/1192282291.db2.gz AAQTYSVIVJEWHP-QGZVFWFLSA-N 2 1 380.514 0.715 20 0 GCADMP C[NH+]1CCN(C[C@@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c2ccccc2)CC1 ZINC000636719348 1192282945 /nfs/dbraw/zinc/28/29/45/1192282945.db2.gz QJDAUZVDSRWJEI-RTBURBONSA-N 2 1 375.517 0.341 20 0 GCADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338929 1192285414 /nfs/dbraw/zinc/28/54/14/1192285414.db2.gz WZKOLEIXQVMNLZ-OAHLLOKOSA-N 2 1 387.536 0.983 20 0 GCADMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)C2 ZINC001719828416 1192287585 /nfs/dbraw/zinc/28/75/85/1192287585.db2.gz UJVVJBUTBXPZIJ-BDXSIMOUSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C2 ZINC001719838297 1192323614 /nfs/dbraw/zinc/32/36/14/1192323614.db2.gz SBYLKQOTBWFXDP-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678133 1192325757 /nfs/dbraw/zinc/32/57/57/1192325757.db2.gz BNKCBQHZYHCTBZ-QZTJIDSGSA-N 2 1 390.484 0.327 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[C@H](C)O1 ZINC000663543170 1192381817 /nfs/dbraw/zinc/38/18/17/1192381817.db2.gz IMWCSFBVGRAAAF-IYBDPMFKSA-N 2 1 385.553 0.536 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[C@H](C)O1 ZINC000663543170 1192381822 /nfs/dbraw/zinc/38/18/22/1192381822.db2.gz IMWCSFBVGRAAAF-IYBDPMFKSA-N 2 1 385.553 0.536 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000247419344 1192408573 /nfs/dbraw/zinc/40/85/73/1192408573.db2.gz NVHQRIGDVSYAAN-BDXSIMOUSA-N 2 1 382.549 0.600 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1 ZINC000663722761 1192515407 /nfs/dbraw/zinc/51/54/07/1192515407.db2.gz LNSGADZGJRAGPJ-MRXNPFEDSA-N 2 1 388.516 0.571 20 0 GCADMP C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637377032 1192519010 /nfs/dbraw/zinc/51/90/10/1192519010.db2.gz SQPNUCPWKMNNMM-XDNAFOTISA-N 2 1 395.548 0.609 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637377032 1192519015 /nfs/dbraw/zinc/51/90/15/1192519015.db2.gz SQPNUCPWKMNNMM-XDNAFOTISA-N 2 1 395.548 0.609 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637377032 1192519023 /nfs/dbraw/zinc/51/90/23/1192519023.db2.gz SQPNUCPWKMNNMM-XDNAFOTISA-N 2 1 395.548 0.609 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000637377032 1192519027 /nfs/dbraw/zinc/51/90/27/1192519027.db2.gz SQPNUCPWKMNNMM-XDNAFOTISA-N 2 1 395.548 0.609 20 0 GCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606687 1192551673 /nfs/dbraw/zinc/55/16/73/1192551673.db2.gz CFGIITGLOZAFKS-AWEZNQCLSA-N 2 1 395.470 0.575 20 0 GCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606687 1192551676 /nfs/dbraw/zinc/55/16/76/1192551676.db2.gz CFGIITGLOZAFKS-AWEZNQCLSA-N 2 1 395.470 0.575 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878449 1192563333 /nfs/dbraw/zinc/56/33/33/1192563333.db2.gz SJISUTZCRUVKMF-CQSZACIVSA-N 3 1 394.520 0.862 20 0 GCADMP COC(OC)c1c(CN2CC[C@@H](CO)C2)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878449 1192563336 /nfs/dbraw/zinc/56/33/36/1192563336.db2.gz SJISUTZCRUVKMF-CQSZACIVSA-N 2 1 394.520 0.862 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000893700669 1192594148 /nfs/dbraw/zinc/59/41/48/1192594148.db2.gz ZSXAUAFXTLYUOI-FCGDIQPGSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893700669 1192594153 /nfs/dbraw/zinc/59/41/53/1192594153.db2.gz ZSXAUAFXTLYUOI-FCGDIQPGSA-N 2 1 380.533 0.870 20 0 GCADMP COC[C@]1(CNC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000418635042 1192621434 /nfs/dbraw/zinc/62/14/34/1192621434.db2.gz JZTYTHOOCFLQSZ-WSTZPKSXSA-N 2 1 381.565 0.955 20 0 GCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418617909 1192619662 /nfs/dbraw/zinc/61/96/62/1192619662.db2.gz NTEOJXASQFELPM-OAHLLOKOSA-N 2 1 395.470 0.575 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000500474295 1192623766 /nfs/dbraw/zinc/62/37/66/1192623766.db2.gz SFJOFQLWYOLTEA-HDICACEKSA-N 2 1 393.576 0.604 20 0 GCADMP COC[C@]1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCC[NH2+]1 ZINC000418659214 1192624986 /nfs/dbraw/zinc/62/49/86/1192624986.db2.gz VLKYISODXBBWOD-QKNQBKEWSA-N 2 1 390.528 0.937 20 0 GCADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000418669984 1192628932 /nfs/dbraw/zinc/62/89/32/1192628932.db2.gz PWGQQNSIFFQSSN-WFEDQXDTSA-N 2 1 395.548 0.120 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)CCO1 ZINC000663811390 1192629218 /nfs/dbraw/zinc/62/92/18/1192629218.db2.gz YOFBMLCUHNIPJA-SNRMKQJTSA-N 2 1 376.501 0.724 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)CCO1 ZINC000663811390 1192629222 /nfs/dbraw/zinc/62/92/22/1192629222.db2.gz YOFBMLCUHNIPJA-SNRMKQJTSA-N 2 1 376.501 0.724 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)CCO1 ZINC000663811389 1192629263 /nfs/dbraw/zinc/62/92/63/1192629263.db2.gz YOFBMLCUHNIPJA-MNEFBYGVSA-N 2 1 376.501 0.724 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)c2)CCO1 ZINC000663811389 1192629266 /nfs/dbraw/zinc/62/92/66/1192629266.db2.gz YOFBMLCUHNIPJA-MNEFBYGVSA-N 2 1 376.501 0.724 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418782005 1192644073 /nfs/dbraw/zinc/64/40/73/1192644073.db2.gz DDHHFBONZSJDOU-ITNKIWFMSA-N 2 1 377.533 0.779 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822521 1192656213 /nfs/dbraw/zinc/65/62/13/1192656213.db2.gz ASXCQTXYEDGBPQ-QGZVFWFLSA-N 2 1 382.549 0.970 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000418827313 1192657651 /nfs/dbraw/zinc/65/76/51/1192657651.db2.gz DNPWHBJJYKSCKE-KKUMJFAQSA-N 2 1 378.473 0.762 20 0 GCADMP CCCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CC[NH2+]C1 ZINC000418832218 1192659476 /nfs/dbraw/zinc/65/94/76/1192659476.db2.gz LYJHXVWDPWIESO-KRWDZBQOSA-N 2 1 380.533 0.738 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000418832265 1192659484 /nfs/dbraw/zinc/65/94/84/1192659484.db2.gz MCSOOOUVNQKPKC-UHFFFAOYSA-N 2 1 392.544 0.740 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000418836158 1192660560 /nfs/dbraw/zinc/66/05/60/1192660560.db2.gz QTBHWRJSFNABGF-DLBZAZTESA-N 2 1 380.533 0.581 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cs1 ZINC000418856291 1192668473 /nfs/dbraw/zinc/66/84/73/1192668473.db2.gz OUOPWOGMHUJXAO-MRXNPFEDSA-N 2 1 393.557 0.887 20 0 GCADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000418850599 1192665883 /nfs/dbraw/zinc/66/58/83/1192665883.db2.gz DBAWABPJPZFOKM-QGZVFWFLSA-N 2 1 396.919 0.590 20 0 GCADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000418850599 1192665887 /nfs/dbraw/zinc/66/58/87/1192665887.db2.gz DBAWABPJPZFOKM-QGZVFWFLSA-N 2 1 396.919 0.590 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000418851389 1192666415 /nfs/dbraw/zinc/66/64/15/1192666415.db2.gz PQYFSZFADLPLLA-JXFKEZNVSA-N 2 1 376.501 0.920 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000418854905 1192666946 /nfs/dbraw/zinc/66/69/46/1192666946.db2.gz UFCMNBCBTITFDE-ZOBUZTSGSA-N 2 1 376.501 1.000 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000418848589 1192667376 /nfs/dbraw/zinc/66/73/76/1192667376.db2.gz LSEIEAOQUMRBLU-RANZSIQMSA-N 2 1 388.512 1.000 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000418856820 1192668740 /nfs/dbraw/zinc/66/87/40/1192668740.db2.gz QIYFTZRPPHABRR-UHFFFAOYSA-N 2 1 381.546 0.759 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+](C)C ZINC000418856753 1192668872 /nfs/dbraw/zinc/66/88/72/1192668872.db2.gz XNTMBKSBPCSWGF-YOEHRIQHSA-N 2 1 376.501 1.000 20 0 GCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418865362 1192669507 /nfs/dbraw/zinc/66/95/07/1192669507.db2.gz RPGTZTVGYYASIZ-SFHVURJKSA-N 2 1 388.512 0.734 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)cs1 ZINC000418859170 1192670187 /nfs/dbraw/zinc/67/01/87/1192670187.db2.gz XLGPJMJYCBRABS-OAHLLOKOSA-N 2 1 393.557 0.983 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418884214 1192678523 /nfs/dbraw/zinc/67/85/23/1192678523.db2.gz WLNRWIQZAXVXFP-QZTJIDSGSA-N 2 1 376.501 0.503 20 0 GCADMP CCCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000418883890 1192679013 /nfs/dbraw/zinc/67/90/13/1192679013.db2.gz VUMYTBASSUYGOG-RTBURBONSA-N 2 1 388.512 0.470 20 0 GCADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000418944083 1192696506 /nfs/dbraw/zinc/69/65/06/1192696506.db2.gz ZUJAKNLNDXLFAF-KRWDZBQOSA-N 2 1 395.548 0.038 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418960958 1192702217 /nfs/dbraw/zinc/70/22/17/1192702217.db2.gz JJFDJIMADNZEOC-CGTJXYLNSA-N 2 1 376.501 0.588 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963731 1192703578 /nfs/dbraw/zinc/70/35/78/1192703578.db2.gz MLNNYNDSTCMGAJ-CVEARBPZSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963731 1192703582 /nfs/dbraw/zinc/70/35/82/1192703582.db2.gz MLNNYNDSTCMGAJ-CVEARBPZSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964256 1192703809 /nfs/dbraw/zinc/70/38/09/1192703809.db2.gz NCCBJNAYDDFCDZ-HIFRSBDPSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964256 1192703814 /nfs/dbraw/zinc/70/38/14/1192703814.db2.gz NCCBJNAYDDFCDZ-HIFRSBDPSA-N 2 1 378.473 0.248 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000112906144 1192719275 /nfs/dbraw/zinc/71/92/75/1192719275.db2.gz VCYVCVSNZXEKMT-IAGOWNOFSA-N 2 1 380.533 0.234 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000112906144 1192719276 /nfs/dbraw/zinc/71/92/76/1192719276.db2.gz VCYVCVSNZXEKMT-IAGOWNOFSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419020419 1192722091 /nfs/dbraw/zinc/72/20/91/1192722091.db2.gz FSRXAIGBVHUXRO-VYDXJSESSA-N 2 1 391.520 0.137 20 0 GCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419032084 1192731436 /nfs/dbraw/zinc/73/14/36/1192731436.db2.gz VYNRFFWJGGIZTA-IXDOHACOSA-N 2 1 382.549 0.825 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000419037587 1192735885 /nfs/dbraw/zinc/73/58/85/1192735885.db2.gz ISEOBXFLURUZNI-KSZLIROESA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000410591554 1192736141 /nfs/dbraw/zinc/73/61/41/1192736141.db2.gz WDWLTHVPHJOFDX-FGTMMUONSA-N 2 1 378.517 0.252 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000419041110 1192739667 /nfs/dbraw/zinc/73/96/67/1192739667.db2.gz NFXYJAUJWAERQJ-VSZNYVQBSA-N 2 1 382.549 0.873 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419041562 1192740308 /nfs/dbraw/zinc/74/03/08/1192740308.db2.gz NPGXSWYAYFIQAW-NVXWUHKLSA-N 2 1 388.516 0.812 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419044845 1192741890 /nfs/dbraw/zinc/74/18/90/1192741890.db2.gz MNKJGHDUANZYAU-NXWXRZEISA-N 2 1 388.512 0.903 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000419056199 1192752781 /nfs/dbraw/zinc/75/27/81/1192752781.db2.gz KVAXPTKIRZSJJC-CEXWTWQISA-N 2 1 388.512 0.460 20 0 GCADMP [NH3+]CCCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419062403 1192754538 /nfs/dbraw/zinc/75/45/38/1192754538.db2.gz APIPNBKHMFWJEO-UHFFFAOYSA-N 2 1 395.935 0.823 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000419059055 1192755844 /nfs/dbraw/zinc/75/58/44/1192755844.db2.gz CPWMILADTZSTMZ-XHSDSOJGSA-N 2 1 382.549 0.885 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000419059055 1192755848 /nfs/dbraw/zinc/75/58/48/1192755848.db2.gz CPWMILADTZSTMZ-XHSDSOJGSA-N 2 1 382.549 0.885 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419064348 1192759773 /nfs/dbraw/zinc/75/97/73/1192759773.db2.gz CCYMBANBOPBPEA-HNNXBMFYSA-N 2 1 395.935 0.822 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419079302 1192775556 /nfs/dbraw/zinc/77/55/56/1192775556.db2.gz UPKCSDOZGWOUSI-APWZRJJASA-N 2 1 388.512 0.591 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419079302 1192775562 /nfs/dbraw/zinc/77/55/62/1192775562.db2.gz UPKCSDOZGWOUSI-APWZRJJASA-N 2 1 388.512 0.591 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000419083060 1192778525 /nfs/dbraw/zinc/77/85/25/1192778525.db2.gz JXCHMUAMTIMYQC-HOTGVXAUSA-N 2 1 380.533 0.593 20 0 GCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[nH+]c1 ZINC000419088469 1192779727 /nfs/dbraw/zinc/77/97/27/1192779727.db2.gz BHICYGJMDQHFQL-ZWKOTPCHSA-N 2 1 381.480 1.262 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238075458 1192779865 /nfs/dbraw/zinc/77/98/65/1192779865.db2.gz QZEGOJBFXFSAKG-UHFFFAOYSA-N 2 1 384.484 0.965 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)CC1 ZINC000500783554 1192786778 /nfs/dbraw/zinc/78/67/78/1192786778.db2.gz VMUCMMSYCMVLTQ-UHFFFAOYSA-N 2 1 393.576 0.604 20 0 GCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419104812 1192792197 /nfs/dbraw/zinc/79/21/97/1192792197.db2.gz USFHCOJPWAKCJU-HNNXBMFYSA-N 2 1 384.402 0.732 20 0 GCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419104812 1192792200 /nfs/dbraw/zinc/79/22/00/1192792200.db2.gz USFHCOJPWAKCJU-HNNXBMFYSA-N 2 1 384.402 0.732 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419121697 1192795025 /nfs/dbraw/zinc/79/50/25/1192795025.db2.gz SHMMMDPVSWVUPE-WMZOPIPTSA-N 2 1 382.549 0.746 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419123746 1192795986 /nfs/dbraw/zinc/79/59/86/1192795986.db2.gz WFOODUIJVHWUBE-VJANTYMQSA-N 2 1 394.560 0.825 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCN(C)CC1 ZINC000419127670 1192797752 /nfs/dbraw/zinc/79/77/52/1192797752.db2.gz RWDDQICCXOGQLZ-QZTJIDSGSA-N 2 1 381.565 0.398 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419118856 1192803093 /nfs/dbraw/zinc/80/30/93/1192803093.db2.gz OEVSFRPBPQODCE-MSOLQXFVSA-N 2 1 382.549 0.873 20 0 GCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419166579 1192822166 /nfs/dbraw/zinc/82/21/66/1192822166.db2.gz HMINNAYVKIXZKO-SJORKVTESA-N 2 1 395.548 0.071 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419167226 1192823495 /nfs/dbraw/zinc/82/34/95/1192823495.db2.gz IFMGXXTWNLIYFP-XUVXKRRUSA-N 2 1 384.524 0.735 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419156028 1192824632 /nfs/dbraw/zinc/82/46/32/1192824632.db2.gz BRGPQQCOOFVHKN-MOPGFXCFSA-N 2 1 390.528 0.835 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](C)C[NH2+]1 ZINC000419172324 1192825416 /nfs/dbraw/zinc/82/54/16/1192825416.db2.gz YXUMGLOSRFJFJF-ZHALLVOQSA-N 2 1 388.512 0.603 20 0 GCADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000419178166 1192828862 /nfs/dbraw/zinc/82/88/62/1192828862.db2.gz SWVHVQPFSFZRRL-MOPGFXCFSA-N 2 1 399.495 0.968 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000419178168 1192829009 /nfs/dbraw/zinc/82/90/09/1192829009.db2.gz SWVHVQPFSFZRRL-RBUKOAKNSA-N 2 1 399.495 0.968 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419177691 1192829290 /nfs/dbraw/zinc/82/92/90/1192829290.db2.gz FBQIEZVVHUHVKJ-OKZBNKHCSA-N 2 1 380.533 0.864 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168821 1192830435 /nfs/dbraw/zinc/83/04/35/1192830435.db2.gz TUOMQLXVEAAEHJ-NEWSRXKRSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000419194786 1192832784 /nfs/dbraw/zinc/83/27/84/1192832784.db2.gz UEBJMAJARUQCEF-LPHOPBHVSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419185463 1192835474 /nfs/dbraw/zinc/83/54/74/1192835474.db2.gz DKCNCXKVILWWNT-FUHWJXTLSA-N 2 1 376.501 0.508 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000410694114 1192835667 /nfs/dbraw/zinc/83/56/67/1192835667.db2.gz BJTZJVHWXKTPIP-IBGZPJMESA-N 2 1 394.560 0.888 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000410694114 1192835672 /nfs/dbraw/zinc/83/56/72/1192835672.db2.gz BJTZJVHWXKTPIP-IBGZPJMESA-N 2 1 394.560 0.888 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000419198366 1192836432 /nfs/dbraw/zinc/83/64/32/1192836432.db2.gz CHOPTEKNOGQYIU-KHYOSLBOSA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205573 1192851548 /nfs/dbraw/zinc/85/15/48/1192851548.db2.gz JGUMATPUNZCJSF-SZMVWBNQSA-N 2 1 388.512 0.996 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419209345 1192887757 /nfs/dbraw/zinc/88/77/57/1192887757.db2.gz PEDCIJPYQYVQGX-GBESFXJTSA-N 2 1 388.512 0.732 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549823197 1192892444 /nfs/dbraw/zinc/89/24/44/1192892444.db2.gz DDIFVMZZCDKWPM-MSOLQXFVSA-N 2 1 380.533 0.687 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000332748599 1192900402 /nfs/dbraw/zinc/90/04/02/1192900402.db2.gz HPJMZJRHBDKSGR-ROUUACIJSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000332748599 1192900404 /nfs/dbraw/zinc/90/04/04/1192900404.db2.gz HPJMZJRHBDKSGR-ROUUACIJSA-N 2 1 377.533 0.809 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410766476 1192901470 /nfs/dbraw/zinc/90/14/70/1192901470.db2.gz KBSKYPJNIFGKNV-GOSISDBHSA-N 2 1 382.549 0.748 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212250 1192902287 /nfs/dbraw/zinc/90/22/87/1192902287.db2.gz UNXNVPVFBNNHSZ-CHWSQXEVSA-N 2 1 382.427 0.342 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212250 1192902289 /nfs/dbraw/zinc/90/22/89/1192902289.db2.gz UNXNVPVFBNNHSZ-CHWSQXEVSA-N 2 1 382.427 0.342 20 0 GCADMP C[NH+](C)C1(CNC(=O)NCCCCN2CC[NH+](CCO)CC2)CCCCC1 ZINC000512560554 1192903885 /nfs/dbraw/zinc/90/38/85/1192903885.db2.gz RLNBNXIRGKSJFD-UHFFFAOYSA-N 2 1 383.581 0.940 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410802880 1192904057 /nfs/dbraw/zinc/90/40/57/1192904057.db2.gz SKNPIIDXQZFEEW-KRWDZBQOSA-N 2 1 382.549 0.624 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000410802880 1192904059 /nfs/dbraw/zinc/90/40/59/1192904059.db2.gz SKNPIIDXQZFEEW-KRWDZBQOSA-N 2 1 382.549 0.624 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000410949459 1192919340 /nfs/dbraw/zinc/91/93/40/1192919340.db2.gz WKYZMLYQVBXSKR-UHOSZYNNSA-N 2 1 392.544 0.783 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000410949459 1192919341 /nfs/dbraw/zinc/91/93/41/1192919341.db2.gz WKYZMLYQVBXSKR-UHOSZYNNSA-N 2 1 392.544 0.783 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000410949459 1192919343 /nfs/dbraw/zinc/91/93/43/1192919343.db2.gz WKYZMLYQVBXSKR-UHOSZYNNSA-N 2 1 392.544 0.783 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)C1 ZINC000410991171 1192923054 /nfs/dbraw/zinc/92/30/54/1192923054.db2.gz USUUQQGREKGENT-KZNAEPCWSA-N 2 1 380.533 0.498 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594077 1184112695 /nfs/dbraw/zinc/11/26/95/1184112695.db2.gz KSBCLHOCWJGDBL-DOTOQJQBSA-N 2 1 382.530 0.406 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594077 1184112700 /nfs/dbraw/zinc/11/27/00/1184112700.db2.gz KSBCLHOCWJGDBL-DOTOQJQBSA-N 2 1 382.530 0.406 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000605246357 1184154776 /nfs/dbraw/zinc/15/47/76/1184154776.db2.gz XWEFFQAOYJHENN-UHFFFAOYSA-N 2 1 394.541 0.868 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643545786 1184164324 /nfs/dbraw/zinc/16/43/24/1184164324.db2.gz CHVUCRJSDOUBHI-KZNAEPCWSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000643545786 1184164329 /nfs/dbraw/zinc/16/43/29/1184164329.db2.gz CHVUCRJSDOUBHI-KZNAEPCWSA-N 2 1 394.560 0.528 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000274694457 1184189029 /nfs/dbraw/zinc/18/90/29/1184189029.db2.gz WCSJPRLZTCUGRA-UHFFFAOYSA-N 2 1 377.533 0.418 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCC[NH+]2C)O1 ZINC000616385805 1184204534 /nfs/dbraw/zinc/20/45/34/1184204534.db2.gz IFPNQZHVXALCPU-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCC[N@@H+]2C)O1 ZINC000616385805 1184204541 /nfs/dbraw/zinc/20/45/41/1184204541.db2.gz IFPNQZHVXALCPU-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@H]2CCC[N@H+]2C)O1 ZINC000616385805 1184204549 /nfs/dbraw/zinc/20/45/49/1184204549.db2.gz IFPNQZHVXALCPU-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643587230 1184270630 /nfs/dbraw/zinc/27/06/30/1184270630.db2.gz SVOWKOPKWRYLDW-MUGJNUQGSA-N 2 1 384.524 0.958 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643587230 1184270641 /nfs/dbraw/zinc/27/06/41/1184270641.db2.gz SVOWKOPKWRYLDW-MUGJNUQGSA-N 2 1 384.524 0.958 20 0 GCADMP C[C@@H]1CN(C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000655057227 1184271882 /nfs/dbraw/zinc/27/18/82/1184271882.db2.gz LRZRAQHJCKPOLW-KDURUIRLSA-N 2 1 389.544 0.905 20 0 GCADMP C[C@@H]1CN(C(=O)NCCN2CCN(c3ccccc3)CC2)C[C@H](C)N1CCO ZINC000655057227 1184271888 /nfs/dbraw/zinc/27/18/88/1184271888.db2.gz LRZRAQHJCKPOLW-KDURUIRLSA-N 2 1 389.544 0.905 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CN(C(=O)C4(C[NH+](C)C)CC4)CC[C@@H]3C2)CC[N@H+]1C ZINC001719576246 1184385984 /nfs/dbraw/zinc/38/59/84/1184385984.db2.gz LGQULJYLBYYSGL-ZJPYXAASSA-N 2 1 376.545 0.975 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468258 1184467203 /nfs/dbraw/zinc/46/72/03/1184467203.db2.gz YEINGYASEBAWMT-GHTZIAJQSA-N 2 1 392.544 0.453 20 0 GCADMP C[N@H+](CCNC(=O)C1CC[NH+](CC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000471234881 1184491351 /nfs/dbraw/zinc/49/13/51/1184491351.db2.gz LFJSKOHWXJYZFZ-UHFFFAOYSA-N 2 1 375.473 0.142 20 0 GCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000471234881 1184491354 /nfs/dbraw/zinc/49/13/54/1184491354.db2.gz LFJSKOHWXJYZFZ-UHFFFAOYSA-N 2 1 375.473 0.142 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000579883224 1184500006 /nfs/dbraw/zinc/50/00/06/1184500006.db2.gz VLEUNFVAOGXBBX-OWYHZJEWSA-N 2 1 392.544 0.423 20 0 GCADMP COc1ccccc1C(=O)NCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000154919202 1184500956 /nfs/dbraw/zinc/50/09/56/1184500956.db2.gz FPKUIJHGWJCGHE-UHFFFAOYSA-N 2 1 376.501 0.909 20 0 GCADMP COc1ccccc1C(=O)NCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000154919202 1184500960 /nfs/dbraw/zinc/50/09/60/1184500960.db2.gz FPKUIJHGWJCGHE-UHFFFAOYSA-N 2 1 376.501 0.909 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077074 1184509448 /nfs/dbraw/zinc/50/94/48/1184509448.db2.gz QNMDRBYRHDQQBN-AYOQOUSVSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077074 1184509451 /nfs/dbraw/zinc/50/94/51/1184509451.db2.gz QNMDRBYRHDQQBN-AYOQOUSVSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+](C2CC2)C1 ZINC000655557011 1184574676 /nfs/dbraw/zinc/57/46/76/1184574676.db2.gz ATLWMNBHXWWJNO-ROUUACIJSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557011 1184574681 /nfs/dbraw/zinc/57/46/81/1184574681.db2.gz ATLWMNBHXWWJNO-ROUUACIJSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557011 1184574691 /nfs/dbraw/zinc/57/46/91/1184574691.db2.gz ATLWMNBHXWWJNO-ROUUACIJSA-N 2 1 379.549 0.519 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000275380236 1184643819 /nfs/dbraw/zinc/64/38/19/1184643819.db2.gz ASVUZVKYNNLJHP-QGZVFWFLSA-N 2 1 389.500 0.185 20 0 GCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729131 1184756590 /nfs/dbraw/zinc/75/65/90/1184756590.db2.gz NYLPMZZNDWLBIV-ROUUACIJSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729131 1184756596 /nfs/dbraw/zinc/75/65/96/1184756596.db2.gz NYLPMZZNDWLBIV-ROUUACIJSA-N 2 1 390.553 0.979 20 0 GCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647060483 1184801726 /nfs/dbraw/zinc/80/17/26/1184801726.db2.gz AXZDYTXPGGMNOL-SFHVURJKSA-N 2 1 382.549 0.935 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393514 1184815390 /nfs/dbraw/zinc/81/53/90/1184815390.db2.gz LBHDKAZELOJQFS-OIISXLGYSA-N 2 1 382.505 0.110 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642744075 1184852667 /nfs/dbraw/zinc/85/26/67/1184852667.db2.gz XXTDXLNRDGQDNR-QWFCFKBJSA-N 2 1 399.539 0.524 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000579996608 1184895471 /nfs/dbraw/zinc/89/54/71/1184895471.db2.gz FBNFITLDXVRAOV-NEPXVJNWSA-N 2 1 394.560 0.717 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000556369070 1184901350 /nfs/dbraw/zinc/90/13/50/1184901350.db2.gz OYZZAIHKIYNCIR-KRWDZBQOSA-N 2 1 381.565 0.224 20 0 GCADMP Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c(OCC[NH+](C)C)c1 ZINC000275748575 1185010507 /nfs/dbraw/zinc/01/05/07/1185010507.db2.gz NLSFYJFDWXOZHM-UHFFFAOYSA-N 2 1 392.500 0.712 20 0 GCADMP Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c(OCC[NH+](C)C)c1 ZINC000275748575 1185010517 /nfs/dbraw/zinc/01/05/17/1185010517.db2.gz NLSFYJFDWXOZHM-UHFFFAOYSA-N 2 1 392.500 0.712 20 0 GCADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000656083672 1185019741 /nfs/dbraw/zinc/01/97/41/1185019741.db2.gz MRNDWEFVGFCOOL-DLBZAZTESA-N 2 1 394.560 0.623 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122512 1185072549 /nfs/dbraw/zinc/07/25/49/1185072549.db2.gz CJQPFBQZXVLADO-KGLIPLIRSA-N 2 1 378.439 0.930 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122512 1185072555 /nfs/dbraw/zinc/07/25/55/1185072555.db2.gz CJQPFBQZXVLADO-KGLIPLIRSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122512 1185072563 /nfs/dbraw/zinc/07/25/63/1185072563.db2.gz CJQPFBQZXVLADO-KGLIPLIRSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122512 1185072569 /nfs/dbraw/zinc/07/25/69/1185072569.db2.gz CJQPFBQZXVLADO-KGLIPLIRSA-N 2 1 378.439 0.930 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580172932 1185105027 /nfs/dbraw/zinc/10/50/27/1185105027.db2.gz MQMONIICODGBLH-RBUKOAKNSA-N 2 1 375.517 0.480 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000642786031 1185161040 /nfs/dbraw/zinc/16/10/40/1185161040.db2.gz XPZSJOGITHPOPH-RCCFBDPRSA-N 2 1 378.517 0.332 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354455 1185196339 /nfs/dbraw/zinc/19/63/39/1185196339.db2.gz DXLKCMMDLLLCFZ-QZTJIDSGSA-N 2 1 380.533 0.690 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000580634331 1185293036 /nfs/dbraw/zinc/29/30/36/1185293036.db2.gz LOLXZHUTPCHFOE-RCCFBDPRSA-N 2 1 392.544 0.545 20 0 GCADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000580722842 1185315681 /nfs/dbraw/zinc/31/56/81/1185315681.db2.gz HMFOPKADOOWIMP-UXHICEINSA-N 2 1 384.565 0.192 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000580722842 1185315688 /nfs/dbraw/zinc/31/56/88/1185315688.db2.gz HMFOPKADOOWIMP-UXHICEINSA-N 2 1 384.565 0.192 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000580722842 1185315694 /nfs/dbraw/zinc/31/56/94/1185315694.db2.gz HMFOPKADOOWIMP-UXHICEINSA-N 2 1 384.565 0.192 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@H]21 ZINC000580775411 1185354395 /nfs/dbraw/zinc/35/43/95/1185354395.db2.gz VHBJPQZWPFHKOA-TVFCKZIOSA-N 2 1 378.517 0.286 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656297010 1185355582 /nfs/dbraw/zinc/35/55/82/1185355582.db2.gz QLYDETCRBKXEBF-RBUKOAKNSA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656297010 1185355590 /nfs/dbraw/zinc/35/55/90/1185355590.db2.gz QLYDETCRBKXEBF-RBUKOAKNSA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656297010 1185355597 /nfs/dbraw/zinc/35/55/97/1185355597.db2.gz QLYDETCRBKXEBF-RBUKOAKNSA-N 2 1 393.576 0.653 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000656316414 1185404708 /nfs/dbraw/zinc/40/47/08/1185404708.db2.gz RNKCDXHTVSOWFW-WJFTUGDTSA-N 2 1 392.544 0.879 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000656318845 1185408873 /nfs/dbraw/zinc/40/88/73/1185408873.db2.gz UOXCPRLLDZNPOS-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891349399 1185442783 /nfs/dbraw/zinc/44/27/83/1185442783.db2.gz UFJWXNIGNLBPSE-OTWHNJEPSA-N 2 1 399.495 0.621 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CC(C)(C)O ZINC000656355730 1185454357 /nfs/dbraw/zinc/45/43/57/1185454357.db2.gz NLAXBGAVWUCLSV-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1CC(C)(C)O ZINC000656355730 1185454364 /nfs/dbraw/zinc/45/43/64/1185454364.db2.gz NLAXBGAVWUCLSV-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000656355730 1185454369 /nfs/dbraw/zinc/45/43/69/1185454369.db2.gz NLAXBGAVWUCLSV-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000656355730 1185454372 /nfs/dbraw/zinc/45/43/72/1185454372.db2.gz NLAXBGAVWUCLSV-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656356881 1185457810 /nfs/dbraw/zinc/45/78/10/1185457810.db2.gz HUZHPNAHEBGSSR-QRVBRYPASA-N 2 1 392.544 0.690 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656357589 1185459471 /nfs/dbraw/zinc/45/94/71/1185459471.db2.gz ZOLOSOBLRYEAPV-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656357589 1185459475 /nfs/dbraw/zinc/45/94/75/1185459475.db2.gz ZOLOSOBLRYEAPV-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656357589 1185459482 /nfs/dbraw/zinc/45/94/82/1185459482.db2.gz ZOLOSOBLRYEAPV-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656358548 1185460328 /nfs/dbraw/zinc/46/03/28/1185460328.db2.gz RXQDXCRNBZHTOO-DLBZAZTESA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656358548 1185460330 /nfs/dbraw/zinc/46/03/30/1185460330.db2.gz RXQDXCRNBZHTOO-DLBZAZTESA-N 2 1 380.533 0.689 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419421371 1185505944 /nfs/dbraw/zinc/50/59/44/1185505944.db2.gz OXPJIKIXFKCJBH-SFHVURJKSA-N 2 1 375.517 0.159 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419421371 1185505949 /nfs/dbraw/zinc/50/59/49/1185505949.db2.gz OXPJIKIXFKCJBH-SFHVURJKSA-N 2 1 375.517 0.159 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419421371 1185505955 /nfs/dbraw/zinc/50/59/55/1185505955.db2.gz OXPJIKIXFKCJBH-SFHVURJKSA-N 2 1 375.517 0.159 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[NH+]2C)CCCO1 ZINC000581211036 1185531222 /nfs/dbraw/zinc/53/12/22/1185531222.db2.gz DYKJHHZBUUVTHD-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCCO1 ZINC000581211036 1185531224 /nfs/dbraw/zinc/53/12/24/1185531224.db2.gz DYKJHHZBUUVTHD-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CCCO1 ZINC000581211036 1185531228 /nfs/dbraw/zinc/53/12/28/1185531228.db2.gz DYKJHHZBUUVTHD-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001021801839 1185557906 /nfs/dbraw/zinc/55/79/06/1185557906.db2.gz PHFROZTURVXNKR-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001021801839 1185557911 /nfs/dbraw/zinc/55/79/11/1185557911.db2.gz PHFROZTURVXNKR-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000581299915 1185574658 /nfs/dbraw/zinc/57/46/58/1185574658.db2.gz QUVXVNSTIUJASE-IAGOWNOFSA-N 2 1 376.505 0.270 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581313512 1185586012 /nfs/dbraw/zinc/58/60/12/1185586012.db2.gz IRMHWWRZWMJFCU-BHYGNILZSA-N 2 1 398.515 0.071 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001104345466 1185612778 /nfs/dbraw/zinc/61/27/78/1185612778.db2.gz IHFGIGMKDUIVBU-PSBWJHGTSA-N 2 1 390.528 0.679 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001104345466 1185612783 /nfs/dbraw/zinc/61/27/83/1185612783.db2.gz IHFGIGMKDUIVBU-PSBWJHGTSA-N 2 1 390.528 0.679 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000581367341 1185618157 /nfs/dbraw/zinc/61/81/57/1185618157.db2.gz UUCDOVOGCOGWLC-LJQANCHMSA-N 2 1 387.528 0.309 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104346784 1185618251 /nfs/dbraw/zinc/61/82/51/1185618251.db2.gz IYFABBYMQMUDDI-BRSBDYLESA-N 2 1 380.533 0.402 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCN1CCCC1=O ZINC001104346784 1185618255 /nfs/dbraw/zinc/61/82/55/1185618255.db2.gz IYFABBYMQMUDDI-BRSBDYLESA-N 2 1 380.533 0.402 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001104347428 1185619684 /nfs/dbraw/zinc/61/96/84/1185619684.db2.gz ZLHRKFOOVOZBEK-KLHDSHLOSA-N 2 1 393.488 0.406 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)Nc1ccon1 ZINC001104347428 1185619689 /nfs/dbraw/zinc/61/96/89/1185619689.db2.gz ZLHRKFOOVOZBEK-KLHDSHLOSA-N 2 1 393.488 0.406 20 0 GCADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000430588661 1185648425 /nfs/dbraw/zinc/64/84/25/1185648425.db2.gz ABQIXZZRQDFKNU-UHFFFAOYSA-N 2 1 396.513 0.317 20 0 GCADMP C[C@H](NC(=O)CNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000430592419 1185657078 /nfs/dbraw/zinc/65/70/78/1185657078.db2.gz HEJAKLIBJWYNAO-HNNXBMFYSA-N 2 1 394.491 0.949 20 0 GCADMP C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430594662 1185662584 /nfs/dbraw/zinc/66/25/84/1185662584.db2.gz GUKMHHNRBFJBLX-CYBMUJFWSA-N 2 1 384.502 0.491 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487029 1185670855 /nfs/dbraw/zinc/67/08/55/1185670855.db2.gz ARVNHWZNBMMSLC-FGTMMUONSA-N 2 1 387.528 0.699 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)O1 ZINC001021941477 1185682510 /nfs/dbraw/zinc/68/25/10/1185682510.db2.gz NNJUCXPRQISEFM-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)O1 ZINC001021941477 1185682515 /nfs/dbraw/zinc/68/25/15/1185682515.db2.gz NNJUCXPRQISEFM-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)O1 ZINC001021941477 1185682519 /nfs/dbraw/zinc/68/25/19/1185682519.db2.gz NNJUCXPRQISEFM-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)O1 ZINC001021941477 1185682523 /nfs/dbraw/zinc/68/25/23/1185682523.db2.gz NNJUCXPRQISEFM-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000581425682 1185687222 /nfs/dbraw/zinc/68/72/22/1185687222.db2.gz UTKLHZOLXOCCBQ-HXUWFJFHSA-N 2 1 380.533 0.500 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000581425682 1185687227 /nfs/dbraw/zinc/68/72/27/1185687227.db2.gz UTKLHZOLXOCCBQ-HXUWFJFHSA-N 2 1 380.533 0.500 20 0 GCADMP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000581429831 1185687492 /nfs/dbraw/zinc/68/74/92/1185687492.db2.gz KNHSGFJWQIQHIK-MRXNPFEDSA-N 2 1 388.468 0.556 20 0 GCADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000581429831 1185687498 /nfs/dbraw/zinc/68/74/98/1185687498.db2.gz KNHSGFJWQIQHIK-MRXNPFEDSA-N 2 1 388.468 0.556 20 0 GCADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608043 1185723484 /nfs/dbraw/zinc/72/34/84/1185723484.db2.gz DIMGHDNVDFXABI-KRWDZBQOSA-N 2 1 376.501 0.701 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430606105 1185724008 /nfs/dbraw/zinc/72/40/08/1185724008.db2.gz UFUQHVPWNXTRJG-HNNXBMFYSA-N 2 1 387.484 0.304 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430606105 1185724011 /nfs/dbraw/zinc/72/40/11/1185724011.db2.gz UFUQHVPWNXTRJG-HNNXBMFYSA-N 2 1 387.484 0.304 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430609589 1185751666 /nfs/dbraw/zinc/75/16/66/1185751666.db2.gz HQHLIOYCTXEYCV-AWEZNQCLSA-N 2 1 390.513 0.718 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430609589 1185751673 /nfs/dbraw/zinc/75/16/73/1185751673.db2.gz HQHLIOYCTXEYCV-AWEZNQCLSA-N 2 1 390.513 0.718 20 0 GCADMP CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350454 1185755615 /nfs/dbraw/zinc/75/56/15/1185755615.db2.gz HRQVFYGOFIBWSO-HOTGVXAUSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350454 1185755620 /nfs/dbraw/zinc/75/56/20/1185755620.db2.gz HRQVFYGOFIBWSO-HOTGVXAUSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc(=O)[nH]1 ZINC000276350454 1185755623 /nfs/dbraw/zinc/75/56/23/1185755623.db2.gz HRQVFYGOFIBWSO-HOTGVXAUSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc(=O)[nH]1 ZINC000276350454 1185755627 /nfs/dbraw/zinc/75/56/27/1185755627.db2.gz HRQVFYGOFIBWSO-HOTGVXAUSA-N 2 1 391.520 0.558 20 0 GCADMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611707 1185758193 /nfs/dbraw/zinc/75/81/93/1185758193.db2.gz PPSGYXNNZZIGIA-ZIAGYGMSSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612947 1185764302 /nfs/dbraw/zinc/76/43/02/1185764302.db2.gz TXLCYKWEAPPYSN-SJLPKXTDSA-N 2 1 388.512 0.844 20 0 GCADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430612668 1185765192 /nfs/dbraw/zinc/76/51/92/1185765192.db2.gz SWNGNQDPVDFWBP-INIZCTEOSA-N 2 1 395.525 0.613 20 0 GCADMP CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430612668 1185765200 /nfs/dbraw/zinc/76/52/00/1185765200.db2.gz SWNGNQDPVDFWBP-INIZCTEOSA-N 2 1 395.525 0.613 20 0 GCADMP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430612706 1185766567 /nfs/dbraw/zinc/76/65/67/1185766567.db2.gz SGZYUFXFXZISIK-QGZVFWFLSA-N 2 1 376.501 0.877 20 0 GCADMP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430613322 1185768064 /nfs/dbraw/zinc/76/80/64/1185768064.db2.gz VLGWKDYPLQQAAU-CYBMUJFWSA-N 2 1 398.529 0.943 20 0 GCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614091 1185775511 /nfs/dbraw/zinc/77/55/11/1185775511.db2.gz YCSWVXGXUWDFLD-CABCVRRESA-N 2 1 388.468 0.886 20 0 GCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614094 1185776212 /nfs/dbraw/zinc/77/62/12/1185776212.db2.gz YCSWVXGXUWDFLD-LSDHHAIUSA-N 2 1 388.468 0.886 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000581605782 1185783590 /nfs/dbraw/zinc/78/35/90/1185783590.db2.gz YQGJEMDTZLCQRR-LJQANCHMSA-N 2 1 380.496 0.992 20 0 GCADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619891 1185793009 /nfs/dbraw/zinc/79/30/09/1185793009.db2.gz BLXWEOQUYSAVFY-DZGCQCFKSA-N 2 1 375.473 0.160 20 0 GCADMP O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430620714 1185795614 /nfs/dbraw/zinc/79/56/14/1185795614.db2.gz BNANDJURKRLTNY-MRXNPFEDSA-N 2 1 387.484 0.869 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000430620688 1185796882 /nfs/dbraw/zinc/79/68/82/1185796882.db2.gz COLSEDINKHJCEU-ZWKOTPCHSA-N 2 1 386.496 0.250 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000430621793 1185797502 /nfs/dbraw/zinc/79/75/02/1185797502.db2.gz KEMQXTVIWPNIOB-HUUCEWRRSA-N 2 1 390.450 0.931 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000430625358 1185808786 /nfs/dbraw/zinc/80/87/86/1185808786.db2.gz KKUIDMIDGBZAQU-KURKYZTESA-N 2 1 378.517 0.300 20 0 GCADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430625926 1185809411 /nfs/dbraw/zinc/80/94/11/1185809411.db2.gz KEXSRURXOJRDHW-GOEBONIOSA-N 2 1 375.473 0.188 20 0 GCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430631378 1185819909 /nfs/dbraw/zinc/81/99/09/1185819909.db2.gz BDYYQHBPUSYKJU-HNNXBMFYSA-N 2 1 398.529 0.103 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430631564 1185820742 /nfs/dbraw/zinc/82/07/42/1185820742.db2.gz UWCOUSPGCGCIHW-MRXNPFEDSA-N 2 1 375.473 0.189 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000430634477 1185825381 /nfs/dbraw/zinc/82/53/81/1185825381.db2.gz RXCBGSHWFKQUNL-MRXNPFEDSA-N 2 1 393.557 0.179 20 0 GCADMP COc1ccc(CCNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430637051 1185832135 /nfs/dbraw/zinc/83/21/35/1185832135.db2.gz APLNYFHSVXHAHH-INIZCTEOSA-N 2 1 392.500 0.149 20 0 GCADMP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637594 1185840047 /nfs/dbraw/zinc/84/00/47/1185840047.db2.gz CSCQXPFLKFFHPC-JKSUJKDBSA-N 2 1 378.542 0.939 20 0 GCADMP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643327 1185855504 /nfs/dbraw/zinc/85/55/04/1185855504.db2.gz XFIVDNDSYZGSDE-MRXNPFEDSA-N 2 1 378.542 0.990 20 0 GCADMP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643327 1185855507 /nfs/dbraw/zinc/85/55/07/1185855507.db2.gz XFIVDNDSYZGSDE-MRXNPFEDSA-N 2 1 378.542 0.990 20 0 GCADMP C[N@@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430644414 1185857741 /nfs/dbraw/zinc/85/77/41/1185857741.db2.gz NHJJCHBXEDBGGA-UHFFFAOYSA-N 2 1 387.484 0.506 20 0 GCADMP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430646513 1185861490 /nfs/dbraw/zinc/86/14/90/1185861490.db2.gz WICAAGQEGXXZBE-OAHLLOKOSA-N 2 1 375.473 0.162 20 0 GCADMP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430646513 1185861502 /nfs/dbraw/zinc/86/15/02/1185861502.db2.gz WICAAGQEGXXZBE-OAHLLOKOSA-N 2 1 375.473 0.162 20 0 GCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430648128 1185865350 /nfs/dbraw/zinc/86/53/50/1185865350.db2.gz YZQIPURJVQLUOI-UONOGXRCSA-N 2 1 382.455 0.799 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000430656270 1185892483 /nfs/dbraw/zinc/89/24/83/1185892483.db2.gz SUVBWVQHJJNQBS-OAHLLOKOSA-N 2 1 380.464 0.498 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891536043 1185908034 /nfs/dbraw/zinc/90/80/34/1185908034.db2.gz BMICXTRDYYVJKN-AAEUAGOBSA-N 2 1 379.427 0.318 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578907 1185925183 /nfs/dbraw/zinc/92/51/83/1185925183.db2.gz COFAWAPZNNRCSR-HZMVEIRTSA-N 2 1 379.505 0.827 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCc2ccc(OC(F)F)cc2)C1 ZINC000430669115 1185942589 /nfs/dbraw/zinc/94/25/89/1185942589.db2.gz SKDDQQDHZBNFFX-OAHLLOKOSA-N 2 1 398.454 0.734 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670072 1185963679 /nfs/dbraw/zinc/96/36/79/1185963679.db2.gz NISFWHYVANVISW-TWMKSMIVSA-N 2 1 379.505 0.541 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001087167810 1185967641 /nfs/dbraw/zinc/96/76/41/1185967641.db2.gz BYRBCHFLDJPZRL-WCXIOVBPSA-N 2 1 390.532 0.865 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001087167810 1185967644 /nfs/dbraw/zinc/96/76/44/1185967644.db2.gz BYRBCHFLDJPZRL-WCXIOVBPSA-N 2 1 390.532 0.865 20 0 GCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H](C[NH3+])C3CC3)c2)CC1 ZINC000581931331 1185993084 /nfs/dbraw/zinc/99/30/84/1185993084.db2.gz MGFMHUDOFSXOKN-KRWDZBQOSA-N 2 1 395.529 0.872 20 0 GCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H](C[NH3+])C3CC3)c2)CC1 ZINC000581931331 1185993085 /nfs/dbraw/zinc/99/30/85/1185993085.db2.gz MGFMHUDOFSXOKN-KRWDZBQOSA-N 2 1 395.529 0.872 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@@H](C)O1 ZINC000581932908 1185994669 /nfs/dbraw/zinc/99/46/69/1185994669.db2.gz UZGHNFIZGCKWTI-INMHGKMJSA-N 2 1 393.536 0.971 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000581934064 1185995242 /nfs/dbraw/zinc/99/52/42/1185995242.db2.gz FMRDXXOTZPUOGW-LSDHHAIUSA-N 2 1 379.530 0.006 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)COCC(=O)N2[C@H](C)C[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000581967564 1186013284 /nfs/dbraw/zinc/01/32/84/1186013284.db2.gz XGHISZHKPBKCJQ-XLAORIBOSA-N 2 1 382.549 0.885 20 0 GCADMP Cn1cnc2c1c(=O)n(CCC[N@H+]1C[C@@H](C[NH3+])[C@H](c3ccccc3)C1)c(=O)n2C ZINC000410074547 1186097767 /nfs/dbraw/zinc/09/77/67/1186097767.db2.gz LVBUHYZEGOTEEP-SJORKVTESA-N 2 1 396.495 0.498 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857425 1186099890 /nfs/dbraw/zinc/09/98/90/1186099890.db2.gz AZOGCDZMCZDVHG-VQHPVUNQSA-N 2 1 377.489 0.580 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276840318 1186115216 /nfs/dbraw/zinc/11/52/16/1186115216.db2.gz IRNHMDLHMNNNMS-WBVHZDCISA-N 2 1 376.505 0.480 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891929473 1186166814 /nfs/dbraw/zinc/16/68/14/1186166814.db2.gz OUQULEWSJCRUCK-MSOLQXFVSA-N 2 1 395.548 0.218 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891929473 1186166826 /nfs/dbraw/zinc/16/68/26/1186166826.db2.gz OUQULEWSJCRUCK-MSOLQXFVSA-N 2 1 395.548 0.218 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000581999826 1186178554 /nfs/dbraw/zinc/17/85/54/1186178554.db2.gz KASDHVNRAFKDIF-CVEARBPZSA-N 2 1 393.557 0.411 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)c1cnnn1C ZINC000684581706 1186187005 /nfs/dbraw/zinc/18/70/05/1186187005.db2.gz PMIBMIOCEAUDJO-UHFFFAOYSA-N 2 1 384.550 0.632 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C(F)(F)F ZINC000891952798 1186196273 /nfs/dbraw/zinc/19/62/73/1186196273.db2.gz KIQCENUWSWXPJZ-UONOGXRCSA-N 2 1 394.438 0.646 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@H]1C(F)(F)F ZINC000891952800 1186197467 /nfs/dbraw/zinc/19/74/67/1186197467.db2.gz KIQCENUWSWXPJZ-ZIAGYGMSSA-N 2 1 394.438 0.646 20 0 GCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000458160737 1186209949 /nfs/dbraw/zinc/20/99/49/1186209949.db2.gz GUEAHAGWQYTJCJ-ROUUACIJSA-N 2 1 380.533 0.548 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000458160737 1186209954 /nfs/dbraw/zinc/20/99/54/1186209954.db2.gz GUEAHAGWQYTJCJ-ROUUACIJSA-N 2 1 380.533 0.548 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458229858 1186219287 /nfs/dbraw/zinc/21/92/87/1186219287.db2.gz QUSLTXCIKZQWND-IRXDYDNUSA-N 2 1 383.537 0.075 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458229858 1186219292 /nfs/dbraw/zinc/21/92/92/1186219292.db2.gz QUSLTXCIKZQWND-IRXDYDNUSA-N 2 1 383.537 0.075 20 0 GCADMP Cc1nnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001707915478 1186273055 /nfs/dbraw/zinc/27/30/55/1186273055.db2.gz QMOKVFNVXLDYSQ-SFHVURJKSA-N 2 1 392.548 0.998 20 0 GCADMP O=C1CC[NH+](CC2(C[N@H+]3CCCCCNC(=O)CC3)COC2)CCCCCN1 ZINC000934154379 1186315397 /nfs/dbraw/zinc/31/53/97/1186315397.db2.gz BVAVFPFZIMJMTJ-UHFFFAOYSA-N 2 1 394.560 0.987 20 0 GCADMP O=C(CCC1CC[NH2+]CC1)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000563159326 1186316459 /nfs/dbraw/zinc/31/64/59/1186316459.db2.gz BDXNGBPSQIWUDR-UHFFFAOYSA-N 2 1 394.560 0.843 20 0 GCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431326959 1186360355 /nfs/dbraw/zinc/36/03/55/1186360355.db2.gz PIMNCIYBNNHWBK-LJQANCHMSA-N 2 1 394.560 0.938 20 0 GCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431326959 1186360359 /nfs/dbraw/zinc/36/03/59/1186360359.db2.gz PIMNCIYBNNHWBK-LJQANCHMSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431333709 1186368007 /nfs/dbraw/zinc/36/80/07/1186368007.db2.gz PMXKRFFHADOLNA-HDICACEKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431333709 1186368011 /nfs/dbraw/zinc/36/80/11/1186368011.db2.gz PMXKRFFHADOLNA-HDICACEKSA-N 2 1 394.560 0.936 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195540 1186460394 /nfs/dbraw/zinc/46/03/94/1186460394.db2.gz HNYGUTXRDHYRLU-MSOLQXFVSA-N 2 1 381.565 0.367 20 0 GCADMP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(F)c1 ZINC000892226086 1186471058 /nfs/dbraw/zinc/47/10/58/1186471058.db2.gz VRFNPYJUXDVQBI-SFHVURJKSA-N 2 1 393.507 0.880 20 0 GCADMP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231729 1186475926 /nfs/dbraw/zinc/47/59/26/1186475926.db2.gz BFVAERSBBDMXFZ-DBHDPKECSA-N 2 1 395.504 0.061 20 0 GCADMP C[C@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231729 1186475929 /nfs/dbraw/zinc/47/59/29/1186475929.db2.gz BFVAERSBBDMXFZ-DBHDPKECSA-N 2 1 395.504 0.061 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000582263771 1186479062 /nfs/dbraw/zinc/47/90/62/1186479062.db2.gz IPPJFSZVZNZQNV-SZMVWBNQSA-N 2 1 380.533 0.281 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000125129121 1186539244 /nfs/dbraw/zinc/53/92/44/1186539244.db2.gz AMZNFQUDULHWHG-MRXNPFEDSA-N 2 1 388.472 0.930 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000582555204 1186565254 /nfs/dbraw/zinc/56/52/54/1186565254.db2.gz KAARTMNTCDZKGJ-INIZCTEOSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980447 1186567782 /nfs/dbraw/zinc/56/77/82/1186567782.db2.gz BZLHPUHJDWFVNM-WOJBJXKFSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980447 1186567784 /nfs/dbraw/zinc/56/77/84/1186567784.db2.gz BZLHPUHJDWFVNM-WOJBJXKFSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980447 1186567787 /nfs/dbraw/zinc/56/77/87/1186567787.db2.gz BZLHPUHJDWFVNM-WOJBJXKFSA-N 2 1 390.576 0.940 20 0 GCADMP O=C(CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCC(=O)c1ccccc1 ZINC000511166772 1186572275 /nfs/dbraw/zinc/57/22/75/1186572275.db2.gz CPRYRVGIVSMNGP-UHFFFAOYSA-N 2 1 389.496 0.535 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)CC2)c1 ZINC000582600358 1186580382 /nfs/dbraw/zinc/58/03/82/1186580382.db2.gz WSQKDMKVPNHPFD-ZWKOTPCHSA-N 2 1 385.512 0.887 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667000 1186603711 /nfs/dbraw/zinc/60/37/11/1186603711.db2.gz QJUQVADEPMEKAT-HAGHYFMRSA-N 3 1 387.528 0.137 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667000 1186603714 /nfs/dbraw/zinc/60/37/14/1186603714.db2.gz QJUQVADEPMEKAT-HAGHYFMRSA-N 3 1 387.528 0.137 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCCC[C@@H]1C ZINC000582701993 1186616783 /nfs/dbraw/zinc/61/67/83/1186616783.db2.gz WTXWPGQABFZAHM-JKSUJKDBSA-N 2 1 390.532 1.467 20 0 GCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000118122900 1186630466 /nfs/dbraw/zinc/63/04/66/1186630466.db2.gz FHIOITNTXHFBGR-UHFFFAOYSA-N 2 1 375.517 0.829 20 0 GCADMP C[C@@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)N1CCOCC1 ZINC000077780943 1186654516 /nfs/dbraw/zinc/65/45/16/1186654516.db2.gz GBEMHEJPBSQNOH-INIZCTEOSA-N 2 1 376.505 0.353 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000077781151 1186654800 /nfs/dbraw/zinc/65/48/00/1186654800.db2.gz GKHHCJRBXMXUCF-UHFFFAOYSA-N 2 1 376.501 0.775 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC000972419604 1186714582 /nfs/dbraw/zinc/71/45/82/1186714582.db2.gz MXNZZSLTOUYLBP-BRSBDYLESA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC000972419604 1186714586 /nfs/dbraw/zinc/71/45/86/1186714586.db2.gz MXNZZSLTOUYLBP-BRSBDYLESA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000668652317 1186727943 /nfs/dbraw/zinc/72/79/43/1186727943.db2.gz UIYUYQYYHCRLTE-RYRKJORJSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000668652315 1186728326 /nfs/dbraw/zinc/72/83/26/1186728326.db2.gz UIYUYQYYHCRLTE-JFIYKMOQSA-N 2 1 380.533 0.593 20 0 GCADMP CCC(CC)[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620611 1186739323 /nfs/dbraw/zinc/73/93/23/1186739323.db2.gz LIONOTYJLNZBJN-RTBURBONSA-N 2 1 394.560 0.888 20 0 GCADMP CCC(CC)[C@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620611 1186739327 /nfs/dbraw/zinc/73/93/27/1186739327.db2.gz LIONOTYJLNZBJN-RTBURBONSA-N 2 1 394.560 0.888 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000472274302 1186742140 /nfs/dbraw/zinc/74/21/40/1186742140.db2.gz DINAVSWYOXKOFZ-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000472274302 1186742143 /nfs/dbraw/zinc/74/21/43/1186742143.db2.gz DINAVSWYOXKOFZ-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142704 1186780099 /nfs/dbraw/zinc/78/00/99/1186780099.db2.gz IYACVLRGIULPJC-SJLPKXTDSA-N 2 1 378.517 0.300 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124623158 1186799304 /nfs/dbraw/zinc/79/93/04/1186799304.db2.gz WRSLOBAYEFKYJS-HNNXBMFYSA-N 2 1 377.489 0.198 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000583460163 1186862046 /nfs/dbraw/zinc/86/20/46/1186862046.db2.gz OTSATLIXMVOVSO-UHFFFAOYSA-N 3 1 395.592 0.709 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000583460163 1186862049 /nfs/dbraw/zinc/86/20/49/1186862049.db2.gz OTSATLIXMVOVSO-UHFFFAOYSA-N 3 1 395.592 0.709 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000472293057 1186889245 /nfs/dbraw/zinc/88/92/45/1186889245.db2.gz NBTDXPZPJCLQDF-SFHVURJKSA-N 2 1 380.533 0.500 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990832 1186894488 /nfs/dbraw/zinc/89/44/88/1186894488.db2.gz FXXIRGZUCMPJRO-ZWKOTPCHSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)CC1=O ZINC000888990832 1186894490 /nfs/dbraw/zinc/89/44/90/1186894490.db2.gz FXXIRGZUCMPJRO-ZWKOTPCHSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1=O ZINC000888990832 1186894494 /nfs/dbraw/zinc/89/44/94/1186894494.db2.gz FXXIRGZUCMPJRO-ZWKOTPCHSA-N 2 1 379.549 0.025 20 0 GCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)ccc1Cl ZINC000563727963 1186900282 /nfs/dbraw/zinc/90/02/82/1186900282.db2.gz ADZBEXXHBDZHQV-ZFWWWQNUSA-N 2 1 393.875 0.111 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000246272652 1186916322 /nfs/dbraw/zinc/91/63/22/1186916322.db2.gz LXORSKSOUUAONL-BFYDXBDKSA-N 2 1 376.505 0.916 20 0 GCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458662824 1186930440 /nfs/dbraw/zinc/93/04/40/1186930440.db2.gz UTRRYTWTJICZHQ-UXHICEINSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH+]1CCCO ZINC000458662824 1186930443 /nfs/dbraw/zinc/93/04/43/1186930443.db2.gz UTRRYTWTJICZHQ-UXHICEINSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH+]1CCCO ZINC000458662824 1186930445 /nfs/dbraw/zinc/93/04/45/1186930445.db2.gz UTRRYTWTJICZHQ-UXHICEINSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458662826 1186930490 /nfs/dbraw/zinc/93/04/90/1186930490.db2.gz UTRRYTWTJICZHQ-WOJBJXKFSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH+]1CCCO ZINC000458662826 1186930491 /nfs/dbraw/zinc/93/04/91/1186930491.db2.gz UTRRYTWTJICZHQ-WOJBJXKFSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH+]1CCCO ZINC000458662826 1186930494 /nfs/dbraw/zinc/93/04/94/1186930494.db2.gz UTRRYTWTJICZHQ-WOJBJXKFSA-N 2 1 390.528 0.899 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000583775902 1186937232 /nfs/dbraw/zinc/93/72/32/1186937232.db2.gz IZYFMNWRFMCXDE-QGZVFWFLSA-N 2 1 382.549 0.840 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329437997 1186939612 /nfs/dbraw/zinc/93/96/12/1186939612.db2.gz JOOITZPDTYNUSC-RBUKOAKNSA-N 2 1 392.544 0.787 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000278543373 1186973752 /nfs/dbraw/zinc/97/37/52/1186973752.db2.gz CUOVDWUZPHKNCT-HNNXBMFYSA-N 2 1 390.492 0.506 20 0 GCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005912 1186978960 /nfs/dbraw/zinc/97/89/60/1186978960.db2.gz OSISKPVTTLEBLE-YQQAZPJKSA-N 2 1 391.541 0.914 20 0 GCADMP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458767590 1186982087 /nfs/dbraw/zinc/98/20/87/1186982087.db2.gz DCUGJKPTVSSOQZ-QGZVFWFLSA-N 2 1 379.505 0.668 20 0 GCADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000584113873 1187000799 /nfs/dbraw/zinc/00/07/99/1187000799.db2.gz NTKHELHDVLWAJU-HNNXBMFYSA-N 2 1 398.504 0.329 20 0 GCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000584113873 1187000803 /nfs/dbraw/zinc/00/08/03/1187000803.db2.gz NTKHELHDVLWAJU-HNNXBMFYSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@H](C)C1 ZINC000685273058 1187008961 /nfs/dbraw/zinc/00/89/61/1187008961.db2.gz FKUHFMQIWONCJQ-BDXSIMOUSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)CC1 ZINC000584277683 1187024795 /nfs/dbraw/zinc/02/47/95/1187024795.db2.gz BSIIMFFJFSSJHP-ZSYWTGECSA-N 2 1 391.560 0.166 20 0 GCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000584277683 1187024800 /nfs/dbraw/zinc/02/48/00/1187024800.db2.gz BSIIMFFJFSSJHP-ZSYWTGECSA-N 2 1 391.560 0.166 20 0 GCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000584277683 1187024804 /nfs/dbraw/zinc/02/48/04/1187024804.db2.gz BSIIMFFJFSSJHP-ZSYWTGECSA-N 2 1 391.560 0.166 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000584306251 1187029547 /nfs/dbraw/zinc/02/95/47/1187029547.db2.gz YZRIDRJIUKVBSX-APWZRJJASA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000584306251 1187029550 /nfs/dbraw/zinc/02/95/50/1187029550.db2.gz YZRIDRJIUKVBSX-APWZRJJASA-N 2 1 388.512 0.734 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)c2cn(CCCC[NH3+])nn2)c2cccs2)CC1 ZINC000584347907 1187035613 /nfs/dbraw/zinc/03/56/13/1187035613.db2.gz NUULPXXBAWCBCT-INIZCTEOSA-N 2 1 391.545 0.797 20 0 GCADMP CSC1(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC[NH+](C)CC1 ZINC000584400117 1187050323 /nfs/dbraw/zinc/05/03/23/1187050323.db2.gz CCPWVLAVHLLIDX-OAHLLOKOSA-N 2 1 383.562 0.420 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000584424702 1187058042 /nfs/dbraw/zinc/05/80/42/1187058042.db2.gz OKDZOLIHSZPYRT-SFHVURJKSA-N 2 1 395.592 0.613 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304088 1187059498 /nfs/dbraw/zinc/05/94/98/1187059498.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304088 1187059505 /nfs/dbraw/zinc/05/95/05/1187059505.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304088 1187059513 /nfs/dbraw/zinc/05/95/13/1187059513.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685304088 1187059520 /nfs/dbraw/zinc/05/95/20/1187059520.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685304088 1187059526 /nfs/dbraw/zinc/05/95/26/1187059526.db2.gz YTTCXDTVVRBKEW-AYOQOUSVSA-N 3 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)O1 ZINC000972639275 1187069669 /nfs/dbraw/zinc/06/96/69/1187069669.db2.gz YNLKCYPNNUNNGH-QBPKDAKJSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)[C@@H]3C2)O1 ZINC000972639275 1187069671 /nfs/dbraw/zinc/06/96/71/1187069671.db2.gz YNLKCYPNNUNNGH-QBPKDAKJSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336842 1187101540 /nfs/dbraw/zinc/10/15/40/1187101540.db2.gz RKEWBCOLOJCKEP-INDMIFKZSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336842 1187101542 /nfs/dbraw/zinc/10/15/42/1187101542.db2.gz RKEWBCOLOJCKEP-INDMIFKZSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685336842 1187101544 /nfs/dbraw/zinc/10/15/44/1187101544.db2.gz RKEWBCOLOJCKEP-INDMIFKZSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336842 1187101546 /nfs/dbraw/zinc/10/15/46/1187101546.db2.gz RKEWBCOLOJCKEP-INDMIFKZSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339345 1187102718 /nfs/dbraw/zinc/10/27/18/1187102718.db2.gz IPUZMJFWVPLMDO-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339345 1187102721 /nfs/dbraw/zinc/10/27/21/1187102721.db2.gz IPUZMJFWVPLMDO-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339345 1187102724 /nfs/dbraw/zinc/10/27/24/1187102724.db2.gz IPUZMJFWVPLMDO-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339345 1187102727 /nfs/dbraw/zinc/10/27/27/1187102727.db2.gz IPUZMJFWVPLMDO-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344445 1187110031 /nfs/dbraw/zinc/11/00/31/1187110031.db2.gz XACHSGBHFRVLNF-YJBOKZPZSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344445 1187110033 /nfs/dbraw/zinc/11/00/33/1187110033.db2.gz XACHSGBHFRVLNF-YJBOKZPZSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443950 1187129399 /nfs/dbraw/zinc/12/93/99/1187129399.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443950 1187129401 /nfs/dbraw/zinc/12/94/01/1187129401.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443950 1187129403 /nfs/dbraw/zinc/12/94/03/1187129403.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443950 1187129404 /nfs/dbraw/zinc/12/94/04/1187129404.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443950 1187129406 /nfs/dbraw/zinc/12/94/06/1187129406.db2.gz GYGQFOMGBZUPLO-VQIMIIECSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443948 1187129511 /nfs/dbraw/zinc/12/95/11/1187129511.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443948 1187129514 /nfs/dbraw/zinc/12/95/14/1187129514.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443948 1187129515 /nfs/dbraw/zinc/12/95/15/1187129515.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443948 1187129517 /nfs/dbraw/zinc/12/95/17/1187129517.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443948 1187129520 /nfs/dbraw/zinc/12/95/20/1187129520.db2.gz GYGQFOMGBZUPLO-LPHOPBHVSA-N 2 1 391.560 0.380 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000685519815 1187141655 /nfs/dbraw/zinc/14/16/55/1187141655.db2.gz XNKKSEBLGWOAIQ-IBGZPJMESA-N 2 1 391.560 0.215 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685520416 1187143330 /nfs/dbraw/zinc/14/33/30/1187143330.db2.gz VLYYSVMEFHLMPW-ROUUACIJSA-N 2 1 394.560 0.794 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(n2cnnn2)CC1 ZINC000612050912 1187245779 /nfs/dbraw/zinc/24/57/79/1187245779.db2.gz ROEMJDIXECCVER-UHFFFAOYSA-N 2 1 375.521 0.817 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000658135077 1187246415 /nfs/dbraw/zinc/24/64/15/1187246415.db2.gz HWCLYMMJDRMHSQ-UHFFFAOYSA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)C1CC[NH+](C)CC1 ZINC000668752791 1187252511 /nfs/dbraw/zinc/25/25/11/1187252511.db2.gz VEQARRJYSDOYHU-KBAYOESNSA-N 2 1 392.544 0.593 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)C1 ZINC000658400337 1187284067 /nfs/dbraw/zinc/28/40/67/1187284067.db2.gz FIJNRWDZLHFYRN-OAQYLSRUSA-N 2 1 392.544 0.502 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375800510 1187421729 /nfs/dbraw/zinc/42/17/29/1187421729.db2.gz BGJDDYXIXRAPNN-DLBZAZTESA-N 2 1 382.505 0.520 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375800510 1187421733 /nfs/dbraw/zinc/42/17/33/1187421733.db2.gz BGJDDYXIXRAPNN-DLBZAZTESA-N 2 1 382.505 0.520 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375800512 1187422007 /nfs/dbraw/zinc/42/20/07/1187422007.db2.gz BGJDDYXIXRAPNN-IRXDYDNUSA-N 2 1 382.505 0.520 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000375800512 1187422010 /nfs/dbraw/zinc/42/20/10/1187422010.db2.gz BGJDDYXIXRAPNN-IRXDYDNUSA-N 2 1 382.505 0.520 20 0 GCADMP Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000658714678 1187423076 /nfs/dbraw/zinc/42/30/76/1187423076.db2.gz GGRWIXDJSKBQMO-OAQYLSRUSA-N 2 1 385.512 0.983 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000658714678 1187423080 /nfs/dbraw/zinc/42/30/80/1187423080.db2.gz GGRWIXDJSKBQMO-OAQYLSRUSA-N 2 1 385.512 0.983 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000658714678 1187423084 /nfs/dbraw/zinc/42/30/84/1187423084.db2.gz GGRWIXDJSKBQMO-OAQYLSRUSA-N 2 1 385.512 0.983 20 0 GCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892477466 1187428268 /nfs/dbraw/zinc/42/82/68/1187428268.db2.gz CGXJAZBZDXZOFK-QZTJIDSGSA-N 2 1 381.565 0.860 20 0 GCADMP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569912928 1187479117 /nfs/dbraw/zinc/47/91/17/1187479117.db2.gz BLRINIMTYVOPSQ-UHFFFAOYSA-N 2 1 384.402 0.828 20 0 GCADMP O=C(NC1C[NH2+]C1)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000569912928 1187479118 /nfs/dbraw/zinc/47/91/18/1187479118.db2.gz BLRINIMTYVOPSQ-UHFFFAOYSA-N 2 1 384.402 0.828 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC000472429582 1187486618 /nfs/dbraw/zinc/48/66/18/1187486618.db2.gz WLKSANDMQKYFBF-MSOLQXFVSA-N 2 1 394.560 0.671 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445251 1187492922 /nfs/dbraw/zinc/49/29/22/1187492922.db2.gz WVDIMHVDEVVTHM-QGZVFWFLSA-N 3 1 381.565 0.461 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000612481465 1187504201 /nfs/dbraw/zinc/50/42/01/1187504201.db2.gz BHENYIMDTRBWRU-IRXDYDNUSA-N 2 1 382.549 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000612481465 1187504204 /nfs/dbraw/zinc/50/42/04/1187504204.db2.gz BHENYIMDTRBWRU-IRXDYDNUSA-N 2 1 382.549 0.527 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000612484362 1187505623 /nfs/dbraw/zinc/50/56/23/1187505623.db2.gz GMGLFSYQFLZDAW-QGZVFWFLSA-N 2 1 382.549 0.528 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612484489 1187505685 /nfs/dbraw/zinc/50/56/85/1187505685.db2.gz AZUDJXDVESHMPN-KURKYZTESA-N 2 1 382.549 0.839 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000413786554 1187509995 /nfs/dbraw/zinc/50/99/95/1187509995.db2.gz QPEOXKXPKNMZGR-SBHAEUEKSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000413786554 1187509996 /nfs/dbraw/zinc/50/99/96/1187509996.db2.gz QPEOXKXPKNMZGR-SBHAEUEKSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000413786554 1187509997 /nfs/dbraw/zinc/50/99/97/1187509997.db2.gz QPEOXKXPKNMZGR-SBHAEUEKSA-N 2 1 390.528 0.889 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544541 1187521888 /nfs/dbraw/zinc/52/18/88/1187521888.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544541 1187521891 /nfs/dbraw/zinc/52/18/91/1187521891.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544541 1187521894 /nfs/dbraw/zinc/52/18/94/1187521894.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000612544541 1187521899 /nfs/dbraw/zinc/52/18/99/1187521899.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000612544541 1187521903 /nfs/dbraw/zinc/52/19/03/1187521903.db2.gz DSGIMACXZKABND-WMZOPIPTSA-N 2 1 379.549 0.214 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597775 1187537479 /nfs/dbraw/zinc/53/74/79/1187537479.db2.gz NAGZHZCTBZKZHI-RYQLBKOJSA-N 2 1 378.517 0.299 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000413845040 1187543787 /nfs/dbraw/zinc/54/37/87/1187543787.db2.gz JMIFPWRWSIKPQS-BSDSXHPESA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000413845040 1187543790 /nfs/dbraw/zinc/54/37/90/1187543790.db2.gz JMIFPWRWSIKPQS-BSDSXHPESA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000413845040 1187543793 /nfs/dbraw/zinc/54/37/93/1187543793.db2.gz JMIFPWRWSIKPQS-BSDSXHPESA-N 2 1 382.549 0.363 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000658821215 1187553971 /nfs/dbraw/zinc/55/39/71/1187553971.db2.gz KDECBVSFKPRFIS-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000658821215 1187553973 /nfs/dbraw/zinc/55/39/73/1187553973.db2.gz KDECBVSFKPRFIS-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000658821215 1187553977 /nfs/dbraw/zinc/55/39/77/1187553977.db2.gz KDECBVSFKPRFIS-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000658821215 1187553981 /nfs/dbraw/zinc/55/39/81/1187553981.db2.gz KDECBVSFKPRFIS-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)CC2)c1 ZINC000570298386 1187566828 /nfs/dbraw/zinc/56/68/28/1187566828.db2.gz SGQCLPKYUMNUNB-ZWKOTPCHSA-N 2 1 385.512 0.981 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)CC2)c1 ZINC000570298386 1187566832 /nfs/dbraw/zinc/56/68/32/1187566832.db2.gz SGQCLPKYUMNUNB-ZWKOTPCHSA-N 2 1 385.512 0.981 20 0 GCADMP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](C)C1 ZINC000413901530 1187573304 /nfs/dbraw/zinc/57/33/04/1187573304.db2.gz MIFXYHUEFHPRLY-SFHVURJKSA-N 2 1 388.512 0.762 20 0 GCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876644 1187609803 /nfs/dbraw/zinc/60/98/03/1187609803.db2.gz MNEPPKKHGWZNLO-CVEARBPZSA-N 2 1 375.521 0.803 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000247023767 1187623269 /nfs/dbraw/zinc/62/32/69/1187623269.db2.gz QLAIGGZQIFHEGJ-ZWKOTPCHSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000247023767 1187623272 /nfs/dbraw/zinc/62/32/72/1187623272.db2.gz QLAIGGZQIFHEGJ-ZWKOTPCHSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000247023767 1187623275 /nfs/dbraw/zinc/62/32/75/1187623275.db2.gz QLAIGGZQIFHEGJ-ZWKOTPCHSA-N 2 1 379.549 0.912 20 0 GCADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892583908 1187794620 /nfs/dbraw/zinc/79/46/20/1187794620.db2.gz FLYAMZDYUAMLBP-FCGDIQPGSA-N 2 1 379.549 0.613 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000658962323 1187820969 /nfs/dbraw/zinc/82/09/69/1187820969.db2.gz IPSYSCRWPGELML-GOSISDBHSA-N 2 1 384.484 0.774 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000658962323 1187820974 /nfs/dbraw/zinc/82/09/74/1187820974.db2.gz IPSYSCRWPGELML-GOSISDBHSA-N 2 1 384.484 0.774 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977841 1187829611 /nfs/dbraw/zinc/82/96/11/1187829611.db2.gz KQKUBECAQBLERY-MOPGFXCFSA-N 2 1 391.560 0.312 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659112753 1187889456 /nfs/dbraw/zinc/88/94/56/1187889456.db2.gz KYJRQMSMDFVNRE-WBVHZDCISA-N 2 1 384.484 0.993 20 0 GCADMP CCCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568941 1187894605 /nfs/dbraw/zinc/89/46/05/1187894605.db2.gz XQLZGNNHSGJYCC-SFHVURJKSA-N 2 1 381.565 0.414 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000580173428 1187911312 /nfs/dbraw/zinc/91/13/12/1187911312.db2.gz LVIXBMOAAMEDAO-IAGOWNOFSA-N 2 1 378.517 0.206 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345056 1187945139 /nfs/dbraw/zinc/94/51/39/1187945139.db2.gz VRMHIKUHLRQYKK-MJGOQNOKSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345056 1187945141 /nfs/dbraw/zinc/94/51/41/1187945141.db2.gz VRMHIKUHLRQYKK-MJGOQNOKSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345084 1187945181 /nfs/dbraw/zinc/94/51/81/1187945181.db2.gz YNZPOWLQCRQITN-RTBURBONSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345084 1187945184 /nfs/dbraw/zinc/94/51/84/1187945184.db2.gz YNZPOWLQCRQITN-RTBURBONSA-N 2 1 393.576 0.556 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659345105 1187945609 /nfs/dbraw/zinc/94/56/09/1187945609.db2.gz ZKYNLWOWIZWBFH-LJQANCHMSA-N 2 1 393.576 0.558 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659345105 1187945610 /nfs/dbraw/zinc/94/56/10/1187945610.db2.gz ZKYNLWOWIZWBFH-LJQANCHMSA-N 2 1 393.576 0.558 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659456773 1187960934 /nfs/dbraw/zinc/96/09/34/1187960934.db2.gz SFEOXTMQCKFJNG-UXHICEINSA-N 2 1 393.576 0.814 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000178779051 1187966635 /nfs/dbraw/zinc/96/66/35/1187966635.db2.gz VARNVDDDHZXVML-INIZCTEOSA-N 2 1 398.511 0.946 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCc2ccccc2C1 ZINC000178779051 1187966639 /nfs/dbraw/zinc/96/66/39/1187966639.db2.gz VARNVDDDHZXVML-INIZCTEOSA-N 2 1 398.511 0.946 20 0 GCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513458 1187967218 /nfs/dbraw/zinc/96/72/18/1187967218.db2.gz YDFVFQDSZZUXQU-JQHSSLGASA-N 2 1 378.517 0.251 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2CC[NH+](CCc3cccs3)CC2)n1 ZINC000659632794 1187979276 /nfs/dbraw/zinc/97/92/76/1187979276.db2.gz HCLHCULYISQTSC-UHFFFAOYSA-N 2 1 376.486 0.772 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680452 1187993414 /nfs/dbraw/zinc/99/34/14/1187993414.db2.gz NGFUOKNMYWUNOA-RTBURBONSA-N 2 1 394.560 0.698 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1C ZINC000659674332 1187994072 /nfs/dbraw/zinc/99/40/72/1187994072.db2.gz FJKCPJUXZXGBMB-HNNXBMFYSA-N 2 1 376.505 0.341 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659685387 1187996260 /nfs/dbraw/zinc/99/62/60/1187996260.db2.gz QVMDUEGXBZCOMD-QZTJIDSGSA-N 2 1 390.528 0.835 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000659688569 1187997484 /nfs/dbraw/zinc/99/74/84/1187997484.db2.gz BIQDNVUGKWKCGY-GOSISDBHSA-N 2 1 393.576 0.367 20 0 GCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000659688193 1187998166 /nfs/dbraw/zinc/99/81/66/1187998166.db2.gz UKEGERZEPGSSPK-HXUWFJFHSA-N 2 1 378.517 0.111 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000659682256 1187998780 /nfs/dbraw/zinc/99/87/80/1187998780.db2.gz IGTGCMIQMCKLML-ZJPYXAASSA-N 2 1 382.549 0.825 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000659706182 1188002398 /nfs/dbraw/zinc/00/23/98/1188002398.db2.gz FVCPHFCQSCJBQU-BBRMVZONSA-N 2 1 398.467 0.036 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659700011 1188004253 /nfs/dbraw/zinc/00/42/53/1188004253.db2.gz ZSXGMAOFAZPZGU-KRWDZBQOSA-N 2 1 387.528 0.701 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699126 1188004295 /nfs/dbraw/zinc/00/42/95/1188004295.db2.gz QDBCRZLDXZVRBF-LJQANCHMSA-N 2 1 393.576 0.368 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000415298551 1188024639 /nfs/dbraw/zinc/02/46/39/1188024639.db2.gz LUFYQAXSQHTPIU-SFHVURJKSA-N 2 1 399.495 0.732 20 0 GCADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000584530787 1188042766 /nfs/dbraw/zinc/04/27/66/1188042766.db2.gz HXKROCDUGYRHFU-SJORKVTESA-N 2 1 380.533 0.594 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000415517514 1188096886 /nfs/dbraw/zinc/09/68/86/1188096886.db2.gz JYDWWDDYRKPQOF-UHFFFAOYSA-N 2 1 389.500 0.057 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415585113 1188114130 /nfs/dbraw/zinc/11/41/30/1188114130.db2.gz AUAXGSHDSPZLPL-OAQYLSRUSA-N 2 1 386.496 0.712 20 0 GCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000415708289 1188145969 /nfs/dbraw/zinc/14/59/69/1188145969.db2.gz LBSZEIPIJIVRDY-INIZCTEOSA-N 2 1 393.919 0.846 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854945 1189383056 /nfs/dbraw/zinc/38/30/56/1189383056.db2.gz NTPTZJINQIAIHJ-QFBILLFUSA-N 2 1 387.528 0.877 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415968193 1189410983 /nfs/dbraw/zinc/41/09/83/1189410983.db2.gz XMHSVWXAUDOZDP-YJBOKZPZSA-N 2 1 388.516 0.962 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322344 1189434211 /nfs/dbraw/zinc/43/42/11/1189434211.db2.gz NSVOVGYTWHUJLH-AEFFLSMTSA-N 2 1 392.475 0.201 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322344 1189434212 /nfs/dbraw/zinc/43/42/12/1189434212.db2.gz NSVOVGYTWHUJLH-AEFFLSMTSA-N 2 1 392.475 0.201 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000378510888 1189524032 /nfs/dbraw/zinc/52/40/32/1189524032.db2.gz JEJBYCIGPVCVOG-MSOLQXFVSA-N 2 1 398.548 0.966 20 0 GCADMP Nc1ccc(F)c(NC(=O)CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000378533863 1189530038 /nfs/dbraw/zinc/53/00/38/1189530038.db2.gz OGOZAWKFRKMUAE-UHFFFAOYSA-N 2 1 380.464 0.896 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000893258906 1189549915 /nfs/dbraw/zinc/54/99/15/1189549915.db2.gz MCTZQDVNTOGFTO-XSLAGTTESA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000893258906 1189549920 /nfs/dbraw/zinc/54/99/20/1189549920.db2.gz MCTZQDVNTOGFTO-XSLAGTTESA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000893258906 1189549926 /nfs/dbraw/zinc/54/99/26/1189549926.db2.gz MCTZQDVNTOGFTO-XSLAGTTESA-N 2 1 392.548 0.259 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000416809644 1189585990 /nfs/dbraw/zinc/58/59/90/1189585990.db2.gz JIJXXDSBLGCNDY-JKSUJKDBSA-N 2 1 377.489 0.736 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000416854720 1189589022 /nfs/dbraw/zinc/58/90/22/1189589022.db2.gz VGGGBNCIKRACPQ-NVXWUHKLSA-N 2 1 391.516 0.794 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000416878600 1189590759 /nfs/dbraw/zinc/59/07/59/1189590759.db2.gz XSIFAKACAPZSPZ-CABCVRRESA-N 2 1 395.470 0.479 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC000416926309 1189594673 /nfs/dbraw/zinc/59/46/73/1189594673.db2.gz UKIJJMXISWFZPD-ZACQAIPSSA-N 2 1 397.564 0.903 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@@H](C)O1 ZINC000416923985 1189594795 /nfs/dbraw/zinc/59/47/95/1189594795.db2.gz QNOAMJMVVDNRCG-BZUAXINKSA-N 2 1 383.537 0.371 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416926308 1189594991 /nfs/dbraw/zinc/59/49/91/1189594991.db2.gz UKIJJMXISWFZPD-IXDOHACOSA-N 2 1 397.564 0.903 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416926308 1189594995 /nfs/dbraw/zinc/59/49/95/1189594995.db2.gz UKIJJMXISWFZPD-IXDOHACOSA-N 2 1 397.564 0.903 20 0 GCADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416942474 1189597745 /nfs/dbraw/zinc/59/77/45/1189597745.db2.gz BBGDOQSIDPEOIO-ROUUACIJSA-N 2 1 397.564 0.620 20 0 GCADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416933692 1189598632 /nfs/dbraw/zinc/59/86/32/1189598632.db2.gz BLBZELQUFFETBS-LMMKCTJWSA-N 2 1 395.548 0.289 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416944546 1189599160 /nfs/dbraw/zinc/59/91/60/1189599160.db2.gz GGOVJAJYFMDVKO-IRXDYDNUSA-N 2 1 375.521 0.900 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416946732 1189599172 /nfs/dbraw/zinc/59/91/72/1189599172.db2.gz ISULQYJEBZXQGA-QGZVFWFLSA-N 2 1 375.521 0.772 20 0 GCADMP COCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594770 1189604789 /nfs/dbraw/zinc/60/47/89/1189604789.db2.gz DCMHNYUPHMLDOP-IRXDYDNUSA-N 2 1 382.549 0.839 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000416997128 1189606248 /nfs/dbraw/zinc/60/62/48/1189606248.db2.gz VKYXVVSZANWAMH-LJQANCHMSA-N 2 1 375.517 0.612 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417037019 1189611654 /nfs/dbraw/zinc/61/16/54/1189611654.db2.gz TXIBNHCBONOOHW-IBGZPJMESA-N 2 1 387.528 0.931 20 0 GCADMP [NH3+][C@H](CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CC1 ZINC000417155214 1189624564 /nfs/dbraw/zinc/62/45/64/1189624564.db2.gz AQMKBZSZYMGJNC-GOSISDBHSA-N 2 1 389.500 0.884 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417166988 1189627057 /nfs/dbraw/zinc/62/70/57/1189627057.db2.gz VYZROUGIHDVIGR-OAHLLOKOSA-N 2 1 377.489 0.741 20 0 GCADMP CC[C@@H]([NH3+])CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417156728 1189627685 /nfs/dbraw/zinc/62/76/85/1189627685.db2.gz CAYANGLCZFANPH-MRXNPFEDSA-N 2 1 377.489 0.884 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000660170819 1189630917 /nfs/dbraw/zinc/63/09/17/1189630917.db2.gz LAOSRKZUOOOKJH-KRWDZBQOSA-N 2 1 380.533 0.378 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000660171325 1189632515 /nfs/dbraw/zinc/63/25/15/1189632515.db2.gz WHBIGDUHGNKKST-FGTMMUONSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000660171325 1189632517 /nfs/dbraw/zinc/63/25/17/1189632517.db2.gz WHBIGDUHGNKKST-FGTMMUONSA-N 2 1 380.533 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@@H+]1CCO ZINC000660171385 1189632747 /nfs/dbraw/zinc/63/27/47/1189632747.db2.gz XVANAIKTKOKFHA-KRWDZBQOSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@H+]1CCO ZINC000660171385 1189632749 /nfs/dbraw/zinc/63/27/49/1189632749.db2.gz XVANAIKTKOKFHA-KRWDZBQOSA-N 2 1 380.533 0.378 20 0 GCADMP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000584719305 1189637895 /nfs/dbraw/zinc/63/78/95/1189637895.db2.gz FDJOVGBPYGSTON-SJORKVTESA-N 2 1 376.457 0.301 20 0 GCADMP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417307896 1189643563 /nfs/dbraw/zinc/64/35/63/1189643563.db2.gz CEOQJZONKFQDPM-LPHOPBHVSA-N 2 1 387.528 0.930 20 0 GCADMP CO[C@@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C[NH3+])C1 ZINC000417371542 1189654691 /nfs/dbraw/zinc/65/46/91/1189654691.db2.gz WKCOOOHSQIDJLE-RBUKOAKNSA-N 2 1 390.532 0.741 20 0 GCADMP C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CC[NH2+]1 ZINC000584768228 1189656843 /nfs/dbraw/zinc/65/68/43/1189656843.db2.gz SAWBAHKFUVACLC-HNNXBMFYSA-N 2 1 395.529 0.838 20 0 GCADMP C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CC[NH2+]1 ZINC000584768228 1189656846 /nfs/dbraw/zinc/65/68/46/1189656846.db2.gz SAWBAHKFUVACLC-HNNXBMFYSA-N 2 1 395.529 0.838 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(C4CCOCC4)CC3)CC[C@H]21 ZINC000660207986 1189659548 /nfs/dbraw/zinc/65/95/48/1189659548.db2.gz MZIGMVUIYDLCKR-FUHWJXTLSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@H]21 ZINC000660207986 1189659550 /nfs/dbraw/zinc/65/95/50/1189659550.db2.gz MZIGMVUIYDLCKR-FUHWJXTLSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@H]21 ZINC000660207986 1189659551 /nfs/dbraw/zinc/65/95/51/1189659551.db2.gz MZIGMVUIYDLCKR-FUHWJXTLSA-N 2 1 378.517 0.252 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852929 1189692680 /nfs/dbraw/zinc/69/26/80/1189692680.db2.gz KLBZBLRCZIOOQP-MOPGFXCFSA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852929 1189692690 /nfs/dbraw/zinc/69/26/90/1189692690.db2.gz KLBZBLRCZIOOQP-MOPGFXCFSA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852929 1189692693 /nfs/dbraw/zinc/69/26/93/1189692693.db2.gz KLBZBLRCZIOOQP-MOPGFXCFSA-N 2 1 395.592 0.469 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260612 1189695365 /nfs/dbraw/zinc/69/53/65/1189695365.db2.gz AGTBDYHUYGCIDI-BZSNNMDCSA-N 2 1 380.533 0.641 20 0 GCADMP C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000417758045 1189702780 /nfs/dbraw/zinc/70/27/80/1189702780.db2.gz UOMUNHWRECFZSL-CABCVRRESA-N 2 1 394.486 0.005 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855621 1189706322 /nfs/dbraw/zinc/70/63/22/1189706322.db2.gz JAFMTUSUSJUNBW-QFBILLFUSA-N 2 1 392.500 0.956 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855621 1189706325 /nfs/dbraw/zinc/70/63/25/1189706325.db2.gz JAFMTUSUSJUNBW-QFBILLFUSA-N 2 1 392.500 0.956 20 0 GCADMP C[C@@H](NS(C)(=O)=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364218518 1189714100 /nfs/dbraw/zinc/71/41/00/1189714100.db2.gz QXUPXXLOFRLLRD-OAHLLOKOSA-N 2 1 388.578 0.579 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418285894 1189748120 /nfs/dbraw/zinc/74/81/20/1189748120.db2.gz GTQCKBHBLMNGPX-UHFFFAOYSA-N 2 1 388.560 0.745 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418287003 1189749108 /nfs/dbraw/zinc/74/91/08/1189749108.db2.gz JIPYZVNRQHCPCU-UHFFFAOYSA-N 2 1 395.470 0.578 20 0 GCADMP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636547753 1189758233 /nfs/dbraw/zinc/75/82/33/1189758233.db2.gz QFEVXSQYNYGRIS-FQEVSTJZSA-N 2 1 389.544 0.690 20 0 GCADMP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636561676 1189811242 /nfs/dbraw/zinc/81/12/42/1189811242.db2.gz YTPIDNDNFYMRNQ-FQEVSTJZSA-N 2 1 389.544 0.560 20 0 GCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418525533 1189816878 /nfs/dbraw/zinc/81/68/78/1189816878.db2.gz PDVRVMDGAVXLHA-UHFFFAOYSA-N 2 1 377.480 0.850 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC[NH2+]CCOC)CC2)CC1 ZINC000418553002 1189824553 /nfs/dbraw/zinc/82/45/53/1189824553.db2.gz MQZNTJGWCFJZEP-UHFFFAOYSA-N 2 1 383.537 0.198 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000974529540 1189838545 /nfs/dbraw/zinc/83/85/45/1189838545.db2.gz GAXMGVBFCZNGPC-FCGDIQPGSA-N 2 1 392.544 0.498 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@H+]1C ZINC000974529540 1189838555 /nfs/dbraw/zinc/83/85/55/1189838555.db2.gz GAXMGVBFCZNGPC-FCGDIQPGSA-N 2 1 392.544 0.498 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660493693 1189854436 /nfs/dbraw/zinc/85/44/36/1189854436.db2.gz FOYXSAUIMPBETI-IBGZPJMESA-N 2 1 395.592 0.805 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000660532381 1189892411 /nfs/dbraw/zinc/89/24/11/1189892411.db2.gz HVPBNSWKSOKIHC-KZNAEPCWSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660532381 1189892415 /nfs/dbraw/zinc/89/24/15/1189892415.db2.gz HVPBNSWKSOKIHC-KZNAEPCWSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660532381 1189892419 /nfs/dbraw/zinc/89/24/19/1189892419.db2.gz HVPBNSWKSOKIHC-KZNAEPCWSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCS(=O)(=O)CC1 ZINC000511838982 1189905736 /nfs/dbraw/zinc/90/57/36/1189905736.db2.gz SDLLCPIHAFYSAX-UHFFFAOYSA-N 2 1 395.569 0.676 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864833 1189958900 /nfs/dbraw/zinc/95/89/00/1189958900.db2.gz PLGMIFXWMYCSRX-VQTJNVASSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864833 1189958905 /nfs/dbraw/zinc/95/89/05/1189958905.db2.gz PLGMIFXWMYCSRX-VQTJNVASSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864833 1189958910 /nfs/dbraw/zinc/95/89/10/1189958910.db2.gz PLGMIFXWMYCSRX-VQTJNVASSA-N 2 1 393.576 0.814 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)O1 ZINC000975780164 1189975095 /nfs/dbraw/zinc/97/50/95/1189975095.db2.gz SJRQMMVHWLDEAJ-VSZNYVQBSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[NH+]4CCCC4)[C@H]3C2)O1 ZINC000975780164 1189975099 /nfs/dbraw/zinc/97/50/99/1189975099.db2.gz SJRQMMVHWLDEAJ-VSZNYVQBSA-N 2 1 378.517 0.251 20 0 GCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000661205000 1190014450 /nfs/dbraw/zinc/01/44/50/1190014450.db2.gz VHXBTLYQSLHLEA-KRWDZBQOSA-N 2 1 380.533 0.092 20 0 GCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000661205000 1190014455 /nfs/dbraw/zinc/01/44/55/1190014455.db2.gz VHXBTLYQSLHLEA-KRWDZBQOSA-N 2 1 380.533 0.092 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@@H]2C1 ZINC000661403653 1190043364 /nfs/dbraw/zinc/04/33/64/1190043364.db2.gz YAIQTOPSSKTITP-QZTJIDSGSA-N 2 1 378.517 0.110 20 0 GCADMP C[C@H](NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)[C@H](C)N1CCOCC1 ZINC000246544959 1193723428 /nfs/dbraw/zinc/72/34/28/1193723428.db2.gz XTDBVOUKVUCYNT-ABSDTBQOSA-N 2 1 390.528 0.814 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000419228202 1193734748 /nfs/dbraw/zinc/73/47/48/1193734748.db2.gz GONVCEMFOFVQBM-DZGCQCFKSA-N 2 1 380.514 0.106 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2sccc2C1 ZINC000419228202 1193734751 /nfs/dbraw/zinc/73/47/51/1193734751.db2.gz GONVCEMFOFVQBM-DZGCQCFKSA-N 2 1 380.514 0.106 20 0 GCADMP CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+](C)CC1 ZINC000894110403 1193740987 /nfs/dbraw/zinc/74/09/87/1193740987.db2.gz FTWRVXLQFMYFNH-FQEVSTJZSA-N 2 1 389.544 0.642 20 0 GCADMP CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+](C)CC1 ZINC000894110403 1193740990 /nfs/dbraw/zinc/74/09/90/1193740990.db2.gz FTWRVXLQFMYFNH-FQEVSTJZSA-N 2 1 389.544 0.642 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000419235504 1193744143 /nfs/dbraw/zinc/74/41/43/1193744143.db2.gz MYUKSKVYFINUIA-FMKPAKJESA-N 2 1 376.526 0.679 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000419235504 1193744145 /nfs/dbraw/zinc/74/41/45/1193744145.db2.gz MYUKSKVYFINUIA-FMKPAKJESA-N 2 1 376.526 0.679 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000419235172 1193746615 /nfs/dbraw/zinc/74/66/15/1193746615.db2.gz MUEKDAYFIAFUIF-IFXJQAMLSA-N 2 1 376.526 0.823 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+]1CCc2sccc2C1 ZINC000419235172 1193746618 /nfs/dbraw/zinc/74/66/18/1193746618.db2.gz MUEKDAYFIAFUIF-IFXJQAMLSA-N 2 1 376.526 0.823 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000549876688 1193748430 /nfs/dbraw/zinc/74/84/30/1193748430.db2.gz RGODDAHHSCWAMM-UHFFFAOYSA-N 2 1 382.549 0.699 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000419237255 1193750118 /nfs/dbraw/zinc/75/01/18/1193750118.db2.gz OPHQFFNDBKIUTC-FVQBIDKESA-N 2 1 394.541 0.576 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000419237255 1193750122 /nfs/dbraw/zinc/75/01/22/1193750122.db2.gz OPHQFFNDBKIUTC-FVQBIDKESA-N 2 1 394.541 0.576 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433125958 1193761372 /nfs/dbraw/zinc/76/13/72/1193761372.db2.gz ASBGYMFOBFMLAU-GOSISDBHSA-N 3 1 388.560 0.912 20 0 GCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419269463 1193777214 /nfs/dbraw/zinc/77/72/14/1193777214.db2.gz OTCKXCDKKBQALG-KRWDZBQOSA-N 2 1 388.512 0.722 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266314 1193777223 /nfs/dbraw/zinc/77/72/23/1193777223.db2.gz GIZHPQYQCGCCSQ-SFHVURJKSA-N 2 1 376.501 0.625 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419270215 1193778028 /nfs/dbraw/zinc/77/80/28/1193778028.db2.gz QIDFKBHZVCLTCI-QGZVFWFLSA-N 2 1 388.512 0.641 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419270876 1193778799 /nfs/dbraw/zinc/77/87/99/1193778799.db2.gz RKYDGHZXKRCRRX-UHFFFAOYSA-N 2 1 376.501 0.578 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000419275546 1193779321 /nfs/dbraw/zinc/77/93/21/1193779321.db2.gz YWZNGKSGQYNNQQ-VQIMIIECSA-N 2 1 388.512 0.578 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000419300000 1193794704 /nfs/dbraw/zinc/79/47/04/1193794704.db2.gz KUNLZOOKKNOFIW-UWWQBHOKSA-N 2 1 392.475 0.163 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000419306607 1193799458 /nfs/dbraw/zinc/79/94/58/1193799458.db2.gz YHWHVIJZWKDKLF-FGTMMUONSA-N 2 1 380.533 0.452 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324808 1193807688 /nfs/dbraw/zinc/80/76/88/1193807688.db2.gz CPRJCXMATSXKQZ-QZTJIDSGSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324808 1193807695 /nfs/dbraw/zinc/80/76/95/1193807695.db2.gz CPRJCXMATSXKQZ-QZTJIDSGSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324808 1193807705 /nfs/dbraw/zinc/80/77/05/1193807705.db2.gz CPRJCXMATSXKQZ-QZTJIDSGSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000576227200 1193822025 /nfs/dbraw/zinc/82/20/25/1193822025.db2.gz KIUNJHOTOOQVSX-SJORKVTESA-N 2 1 391.516 0.375 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000419332452 1193823606 /nfs/dbraw/zinc/82/36/06/1193823606.db2.gz HVNMMRBHJOQUSK-IBGZPJMESA-N 2 1 387.528 0.390 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433397507 1193826212 /nfs/dbraw/zinc/82/62/12/1193826212.db2.gz DEKJCKQZTVIUPJ-INIZCTEOSA-N 2 1 376.505 0.968 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000419333115 1193826266 /nfs/dbraw/zinc/82/62/66/1193826266.db2.gz IIYXJGYWTQLADN-INIZCTEOSA-N 2 1 375.517 0.246 20 0 GCADMP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)CN1CC[NH+](C)CC1 ZINC000433408443 1193827552 /nfs/dbraw/zinc/82/75/52/1193827552.db2.gz BXPUGODYTOLPTA-IBGZPJMESA-N 2 1 394.608 0.539 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000419335109 1193830323 /nfs/dbraw/zinc/83/03/23/1193830323.db2.gz HOFWUCWACFEWMJ-DLBZAZTESA-N 2 1 394.903 0.779 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)cc2)CC1 ZINC000419339250 1193833726 /nfs/dbraw/zinc/83/37/26/1193833726.db2.gz LUDOLZJMSHVKRA-UHFFFAOYSA-N 2 1 387.528 0.390 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000419342951 1193833840 /nfs/dbraw/zinc/83/38/40/1193833840.db2.gz QDAVYOSBAIOGMM-IBGZPJMESA-N 2 1 387.528 0.294 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000419340436 1193835872 /nfs/dbraw/zinc/83/58/72/1193835872.db2.gz NHONFTXRIOCTGW-IBGZPJMESA-N 2 1 387.528 0.261 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000419346122 1193842010 /nfs/dbraw/zinc/84/20/10/1193842010.db2.gz UYHLZOSGPWVVAS-LJQANCHMSA-N 2 1 389.544 0.540 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])cc2)CC1 ZINC000419346103 1193842034 /nfs/dbraw/zinc/84/20/34/1193842034.db2.gz UWLSFRKACUCNSX-INIZCTEOSA-N 2 1 375.517 0.151 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000419346374 1193842077 /nfs/dbraw/zinc/84/20/77/1193842077.db2.gz VEDYKMWROURQJY-UHFFFAOYSA-N 2 1 387.528 0.438 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)c1cncc(C(=O)NCCn2cc[nH+]c2C)c1 ZINC000052191048 1193849596 /nfs/dbraw/zinc/84/95/96/1193849596.db2.gz BKSIRJBYVQGACO-UHFFFAOYSA-N 2 1 381.440 0.951 20 0 GCADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000052209704 1193863679 /nfs/dbraw/zinc/86/36/79/1193863679.db2.gz UZVGFYGILVTOBH-UHFFFAOYSA-N 2 1 395.592 0.663 20 0 GCADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419362418 1193866167 /nfs/dbraw/zinc/86/61/67/1193866167.db2.gz VBYDEXGYPMGTPS-SJORKVTESA-N 2 1 394.903 0.698 20 0 GCADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419362415 1193866276 /nfs/dbraw/zinc/86/62/76/1193866276.db2.gz VBYDEXGYPMGTPS-DLBZAZTESA-N 2 1 394.903 0.698 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385696 1193893468 /nfs/dbraw/zinc/89/34/68/1193893468.db2.gz ATRKUJSUMIRYKO-NXHRZFHOSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385696 1193893471 /nfs/dbraw/zinc/89/34/71/1193893471.db2.gz ATRKUJSUMIRYKO-NXHRZFHOSA-N 2 1 390.553 0.916 20 0 GCADMP CC(C)(CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419386575 1193896375 /nfs/dbraw/zinc/89/63/75/1193896375.db2.gz DVFVQTAXRXUUSD-SFHVURJKSA-N 2 1 388.512 0.516 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387737 1193897249 /nfs/dbraw/zinc/89/72/49/1193897249.db2.gz CYLLVGHYSFXRPF-MSOLQXFVSA-N 2 1 390.553 0.931 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387737 1193897255 /nfs/dbraw/zinc/89/72/55/1193897255.db2.gz CYLLVGHYSFXRPF-MSOLQXFVSA-N 2 1 390.553 0.931 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCN1 ZINC000419388974 1193900143 /nfs/dbraw/zinc/90/01/43/1193900143.db2.gz KUYIPRSWESLTEI-XKQJLSEDSA-N 2 1 394.903 0.648 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419390036 1193902485 /nfs/dbraw/zinc/90/24/85/1193902485.db2.gz FXFCNVDNBHXGCG-IAGOWNOFSA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419390036 1193902489 /nfs/dbraw/zinc/90/24/89/1193902489.db2.gz FXFCNVDNBHXGCG-IAGOWNOFSA-N 2 1 376.526 0.574 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419391471 1193904988 /nfs/dbraw/zinc/90/49/88/1193904988.db2.gz HKYPNXPINCOEPO-SFHVURJKSA-N 2 1 390.553 0.931 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419391471 1193904991 /nfs/dbraw/zinc/90/49/91/1193904991.db2.gz HKYPNXPINCOEPO-SFHVURJKSA-N 2 1 390.553 0.931 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000262028676 1193936415 /nfs/dbraw/zinc/93/64/15/1193936415.db2.gz BFONDDVKSSJNEE-GOSISDBHSA-N 2 1 390.484 0.342 20 0 GCADMP COCC1(C(=O)Nc2cccc(CC(=O)N3CC[NH+](C)CC3)c2)CC[NH2+]CC1 ZINC000262314343 1193945015 /nfs/dbraw/zinc/94/50/15/1193945015.db2.gz AZXZTICXWYPCOO-UHFFFAOYSA-N 2 1 388.512 0.958 20 0 GCADMP CS(=O)(=O)C1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC[NH2+]CC1 ZINC000262377072 1193946501 /nfs/dbraw/zinc/94/65/01/1193946501.db2.gz MLAYSUHEGQFKJU-UHFFFAOYSA-N 2 1 395.525 0.667 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513474830 1193955312 /nfs/dbraw/zinc/95/53/12/1193955312.db2.gz HRYAUJHWXFHSEN-HZPDHXFCSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000513474831 1193955482 /nfs/dbraw/zinc/95/54/82/1193955482.db2.gz HRYAUJHWXFHSEN-JKSUJKDBSA-N 2 1 382.549 0.791 20 0 GCADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000458843116 1193960919 /nfs/dbraw/zinc/96/09/19/1193960919.db2.gz MMWCEEUTOZHMLB-RBUKOAKNSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000458843116 1193960920 /nfs/dbraw/zinc/96/09/20/1193960920.db2.gz MMWCEEUTOZHMLB-RBUKOAKNSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000458843116 1193960922 /nfs/dbraw/zinc/96/09/22/1193960922.db2.gz MMWCEEUTOZHMLB-RBUKOAKNSA-N 2 1 376.501 0.643 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000549942890 1193967720 /nfs/dbraw/zinc/96/77/20/1193967720.db2.gz HZCJTCIWSGBETP-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP COCC1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC000279979024 1193972051 /nfs/dbraw/zinc/97/20/51/1193972051.db2.gz ZRGSLWICXQWFJL-UHFFFAOYSA-N 2 1 375.517 0.726 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000419402278 1194019997 /nfs/dbraw/zinc/01/99/97/1194019997.db2.gz CBKPLFXETVIFEK-NXHRZFHOSA-N 2 1 380.533 0.579 20 0 GCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400894 1194020152 /nfs/dbraw/zinc/02/01/52/1194020152.db2.gz NXMYQQSCHPNUBX-WMZOPIPTSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400894 1194020157 /nfs/dbraw/zinc/02/01/57/1194020157.db2.gz NXMYQQSCHPNUBX-WMZOPIPTSA-N 2 1 390.553 0.836 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419404593 1194020938 /nfs/dbraw/zinc/02/09/38/1194020938.db2.gz UBYQXNMAHTYESU-BPQIPLTHSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419404593 1194020943 /nfs/dbraw/zinc/02/09/43/1194020943.db2.gz UBYQXNMAHTYESU-BPQIPLTHSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404913 1194021238 /nfs/dbraw/zinc/02/12/38/1194021238.db2.gz UHLQJCCVOIITGN-PKOBYXMFSA-N 2 1 387.528 0.035 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419407748 1194021538 /nfs/dbraw/zinc/02/15/38/1194021538.db2.gz YZFBRMRDWZIALG-KURKYZTESA-N 2 1 388.537 0.541 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419407748 1194021541 /nfs/dbraw/zinc/02/15/41/1194021541.db2.gz YZFBRMRDWZIALG-KURKYZTESA-N 2 1 388.537 0.541 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419407125 1194021976 /nfs/dbraw/zinc/02/19/76/1194021976.db2.gz XTFVEXWAZAUSIY-QGZVFWFLSA-N 2 1 378.542 0.788 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419407125 1194021982 /nfs/dbraw/zinc/02/19/82/1194021982.db2.gz XTFVEXWAZAUSIY-QGZVFWFLSA-N 2 1 378.542 0.788 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000419418490 1194022524 /nfs/dbraw/zinc/02/25/24/1194022524.db2.gz LDYBEIAXGXKHSC-RTBURBONSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000419418490 1194022527 /nfs/dbraw/zinc/02/25/27/1194022527.db2.gz LDYBEIAXGXKHSC-RTBURBONSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@@H](c2ccccc2)C1 ZINC000419418490 1194022531 /nfs/dbraw/zinc/02/25/31/1194022531.db2.gz LDYBEIAXGXKHSC-RTBURBONSA-N 2 1 387.528 0.431 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419637 1194022620 /nfs/dbraw/zinc/02/26/20/1194022620.db2.gz SDRAOHSVLHXIAY-IPMKNSEASA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419637 1194022624 /nfs/dbraw/zinc/02/26/24/1194022624.db2.gz SDRAOHSVLHXIAY-IPMKNSEASA-N 2 1 388.512 0.650 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419424739 1194024954 /nfs/dbraw/zinc/02/49/54/1194024954.db2.gz ULIYLQRPFATYMW-WMZOPIPTSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419424739 1194024956 /nfs/dbraw/zinc/02/49/56/1194024956.db2.gz ULIYLQRPFATYMW-WMZOPIPTSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419424739 1194024958 /nfs/dbraw/zinc/02/49/58/1194024958.db2.gz ULIYLQRPFATYMW-WMZOPIPTSA-N 2 1 375.517 0.335 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419425547 1194026568 /nfs/dbraw/zinc/02/65/68/1194026568.db2.gz VZEPGKJABWPLMG-MOPGFXCFSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419425547 1194026569 /nfs/dbraw/zinc/02/65/69/1194026569.db2.gz VZEPGKJABWPLMG-MOPGFXCFSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419425547 1194026572 /nfs/dbraw/zinc/02/65/72/1194026572.db2.gz VZEPGKJABWPLMG-MOPGFXCFSA-N 2 1 389.544 0.581 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410793 1194028674 /nfs/dbraw/zinc/02/86/74/1194028674.db2.gz GSVHLLYSGFQXTJ-ZWKOTPCHSA-N 2 1 376.501 0.508 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410793 1194028678 /nfs/dbraw/zinc/02/86/78/1194028678.db2.gz GSVHLLYSGFQXTJ-ZWKOTPCHSA-N 2 1 376.501 0.508 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411312 1194030039 /nfs/dbraw/zinc/03/00/39/1194030039.db2.gz HNBOLXWPYBMXNA-MSOLQXFVSA-N 2 1 376.501 0.637 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411312 1194030044 /nfs/dbraw/zinc/03/00/44/1194030044.db2.gz HNBOLXWPYBMXNA-MSOLQXFVSA-N 2 1 376.501 0.637 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419413804 1194030394 /nfs/dbraw/zinc/03/03/94/1194030394.db2.gz FYXCRHGRXFJXEK-MJGOQNOKSA-N 2 1 389.544 0.596 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419413804 1194030398 /nfs/dbraw/zinc/03/03/98/1194030398.db2.gz FYXCRHGRXFJXEK-MJGOQNOKSA-N 2 1 389.544 0.596 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419413804 1194030401 /nfs/dbraw/zinc/03/04/01/1194030401.db2.gz FYXCRHGRXFJXEK-MJGOQNOKSA-N 2 1 389.544 0.596 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411955 1194030493 /nfs/dbraw/zinc/03/04/93/1194030493.db2.gz CJHGETAAOQRYBA-RTBURBONSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411955 1194030496 /nfs/dbraw/zinc/03/04/96/1194030496.db2.gz CJHGETAAOQRYBA-RTBURBONSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411955 1194030499 /nfs/dbraw/zinc/03/04/99/1194030499.db2.gz CJHGETAAOQRYBA-RTBURBONSA-N 2 1 387.528 0.335 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419456337 1194032883 /nfs/dbraw/zinc/03/28/83/1194032883.db2.gz ZNLFRCKVNVVRKJ-QGZVFWFLSA-N 2 1 385.512 0.349 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419455395 1194033113 /nfs/dbraw/zinc/03/31/13/1194033113.db2.gz WTBJQAYUSOHWDS-PKOBYXMFSA-N 2 1 387.528 0.653 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419450736 1194036753 /nfs/dbraw/zinc/03/67/53/1194036753.db2.gz MBKAQXULDUELJV-QZTJIDSGSA-N 2 1 389.544 0.803 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419450739 1194037225 /nfs/dbraw/zinc/03/72/25/1194037225.db2.gz MBKAQXULDUELJV-ZWKOTPCHSA-N 2 1 389.544 0.803 20 0 GCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419475672 1194039188 /nfs/dbraw/zinc/03/91/88/1194039188.db2.gz OJPYAKDHWMTWHP-BHIYHBOVSA-N 2 1 388.512 0.589 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503422 1194046920 /nfs/dbraw/zinc/04/69/20/1194046920.db2.gz HMBCQSIJSWKZHD-QZTJIDSGSA-N 2 1 387.528 0.381 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487462 1194049251 /nfs/dbraw/zinc/04/92/51/1194049251.db2.gz BGSGBVYFFWBBHK-QGZVFWFLSA-N 2 1 385.512 0.349 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C[NH3+])C1 ZINC000419530681 1194049677 /nfs/dbraw/zinc/04/96/77/1194049677.db2.gz JWUCVUPBEMHUEJ-NXWXRZEISA-N 2 1 388.512 0.588 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000419533827 1194050481 /nfs/dbraw/zinc/05/04/81/1194050481.db2.gz JFFIIQUDFPABSW-ROUUACIJSA-N 2 1 376.501 0.762 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513635 1194051026 /nfs/dbraw/zinc/05/10/26/1194051026.db2.gz ZQTCOZDPWSSDAA-IEBWSBKVSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511615 1194051284 /nfs/dbraw/zinc/05/12/84/1194051284.db2.gz VZQVVRMINDLWTR-QRVBRYPASA-N 2 1 399.539 0.666 20 0 GCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419518914 1194052607 /nfs/dbraw/zinc/05/26/07/1194052607.db2.gz ZLVYHENDMIOCSR-JKSUJKDBSA-N 2 1 378.473 0.417 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000419547324 1194057483 /nfs/dbraw/zinc/05/74/83/1194057483.db2.gz RJHFSSQKIIPNLX-QRVBRYPASA-N 2 1 388.512 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419549308 1194057700 /nfs/dbraw/zinc/05/77/00/1194057700.db2.gz VLFCHEUAGNZLCW-FUHWJXTLSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419656816 1194074680 /nfs/dbraw/zinc/07/46/80/1194074680.db2.gz IZXUNSIRCAYBSO-SJLPKXTDSA-N 2 1 376.501 0.508 20 0 GCADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419693931 1194086303 /nfs/dbraw/zinc/08/63/03/1194086303.db2.gz OMOAEPKJMBEEBF-LJQANCHMSA-N 2 1 387.528 0.179 20 0 GCADMP CN(CC[NH3+])C(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419696417 1194086847 /nfs/dbraw/zinc/08/68/47/1194086847.db2.gz VEABCHPXRNBAQA-UHFFFAOYSA-N 2 1 375.517 0.118 20 0 GCADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419699271 1194087484 /nfs/dbraw/zinc/08/74/84/1194087484.db2.gz VZZKVGGHJDXEEX-QRQLOZEOSA-N 2 1 392.544 0.864 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000501260963 1194098044 /nfs/dbraw/zinc/09/80/44/1194098044.db2.gz LAJOEFLVWAQSGT-HNNXBMFYSA-N 2 1 389.500 0.469 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000419761148 1194099207 /nfs/dbraw/zinc/09/92/07/1194099207.db2.gz PCXPRWBKXAMKPH-IAGOWNOFSA-N 2 1 380.464 0.338 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419764209 1194101671 /nfs/dbraw/zinc/10/16/71/1194101671.db2.gz VURHRHAISDDDRJ-CZUORRHYSA-N 2 1 380.464 0.603 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000419800803 1194106229 /nfs/dbraw/zinc/10/62/29/1194106229.db2.gz AJGBUXOOFBVBBL-KHYOSLBOSA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000419800803 1194106231 /nfs/dbraw/zinc/10/62/31/1194106231.db2.gz AJGBUXOOFBVBBL-KHYOSLBOSA-N 2 1 388.512 0.766 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000419803583 1194106962 /nfs/dbraw/zinc/10/69/62/1194106962.db2.gz CUJOMNHXUKJDJF-GVDBMIGSSA-N 2 1 392.500 0.888 20 0 GCADMP C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419818107 1194109126 /nfs/dbraw/zinc/10/91/26/1194109126.db2.gz LDJIUZLHDWLYPR-PMPSAXMXSA-N 2 1 376.501 0.636 20 0 GCADMP C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419818105 1194109285 /nfs/dbraw/zinc/10/92/85/1194109285.db2.gz LDJIUZLHDWLYPR-OAGGEKHMSA-N 2 1 376.501 0.636 20 0 GCADMP C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419818105 1194109289 /nfs/dbraw/zinc/10/92/89/1194109289.db2.gz LDJIUZLHDWLYPR-OAGGEKHMSA-N 2 1 376.501 0.636 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824201 1194110593 /nfs/dbraw/zinc/11/05/93/1194110593.db2.gz MMAXPRCTAADPCP-DLBZAZTESA-N 2 1 381.565 0.271 20 0 GCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419812023 1194112443 /nfs/dbraw/zinc/11/24/43/1194112443.db2.gz HTYFIXYQLDANGR-IKGGRYGDSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810426 1194112460 /nfs/dbraw/zinc/11/24/60/1194112460.db2.gz HCDYAUSFWZMEAJ-HRCADAONSA-N 2 1 376.501 0.718 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810426 1194112462 /nfs/dbraw/zinc/11/24/62/1194112462.db2.gz HCDYAUSFWZMEAJ-HRCADAONSA-N 2 1 376.501 0.718 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)O1 ZINC000419810544 1194112562 /nfs/dbraw/zinc/11/25/62/1194112562.db2.gz XHDKIUQOMUOJON-BRWVUGGUSA-N 2 1 380.533 0.864 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[C@@H](C)O1 ZINC000419812017 1194112608 /nfs/dbraw/zinc/11/26/08/1194112608.db2.gz HTYFIXYQLDANGR-BRWVUGGUSA-N 2 1 388.512 0.732 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419848191 1194113627 /nfs/dbraw/zinc/11/36/27/1194113627.db2.gz UCLPRFMNSFPILT-ZWKOTPCHSA-N 3 1 381.565 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000419835433 1194117285 /nfs/dbraw/zinc/11/72/85/1194117285.db2.gz VCJBTEMKYIJCHG-KRWDZBQOSA-N 2 1 381.565 0.415 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419836793 1194117632 /nfs/dbraw/zinc/11/76/32/1194117632.db2.gz CFGJWBCGEJEHQL-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419838541 1194118313 /nfs/dbraw/zinc/11/83/13/1194118313.db2.gz GAEUDPCQHSWGMF-JZXOWHBKSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863722 1194125701 /nfs/dbraw/zinc/12/57/01/1194125701.db2.gz IBMZJWFQSBOCQH-PKOBYXMFSA-N 2 1 387.528 0.350 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419864953 1194125714 /nfs/dbraw/zinc/12/57/14/1194125714.db2.gz SNEHGKGCKKRJHB-GOSISDBHSA-N 2 1 382.549 0.699 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868192 1194126871 /nfs/dbraw/zinc/12/68/71/1194126871.db2.gz LRTNHMKNRHDJCV-ROUUACIJSA-N 2 1 379.549 0.121 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419869737 1194127474 /nfs/dbraw/zinc/12/74/74/1194127474.db2.gz JQOHXHJCEJYMKQ-QRQLOZEOSA-N 2 1 388.512 0.857 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419873224 1194128233 /nfs/dbraw/zinc/12/82/33/1194128233.db2.gz VCIHELHUJFJTJC-QRVBRYPASA-N 2 1 393.576 0.636 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419873222 1194128418 /nfs/dbraw/zinc/12/84/18/1194128418.db2.gz VCIHELHUJFJTJC-IPMKNSEASA-N 2 1 393.576 0.636 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419875568 1194129449 /nfs/dbraw/zinc/12/94/49/1194129449.db2.gz HFLWHXTUDYRFDN-NXHRZFHOSA-N 2 1 379.549 0.260 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1 ZINC000419882822 1194132384 /nfs/dbraw/zinc/13/23/84/1194132384.db2.gz VMTSFARZKYAZLI-MNEFBYGVSA-N 2 1 388.512 0.810 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419917090 1194138594 /nfs/dbraw/zinc/13/85/94/1194138594.db2.gz RPHRJWVHCJWPBE-KSZLIROESA-N 2 1 379.549 0.119 20 0 GCADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000419908121 1194140931 /nfs/dbraw/zinc/14/09/31/1194140931.db2.gz YFESZVYUAHEDPP-MOPGFXCFSA-N 2 1 388.512 0.810 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419908626 1194141557 /nfs/dbraw/zinc/14/15/57/1194141557.db2.gz IXIWEDTUADXROO-RTBURBONSA-N 2 1 395.592 0.898 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419938356 1194145086 /nfs/dbraw/zinc/14/50/86/1194145086.db2.gz PJMNGZLZQFDBTF-ZIFCJYIRSA-N 2 1 394.560 0.983 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419936468 1194145393 /nfs/dbraw/zinc/14/53/93/1194145393.db2.gz UIPLPGWVTKALOS-FQEVSTJZSA-N 2 1 376.501 0.198 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CCOC ZINC000419962921 1194148344 /nfs/dbraw/zinc/14/83/44/1194148344.db2.gz HJMZOMGTWLSSPL-ZWKOTPCHSA-N 2 1 382.549 0.970 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1CCOC ZINC000419962921 1194148348 /nfs/dbraw/zinc/14/83/48/1194148348.db2.gz HJMZOMGTWLSSPL-ZWKOTPCHSA-N 2 1 382.549 0.970 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419973240 1194150359 /nfs/dbraw/zinc/15/03/59/1194150359.db2.gz HKFCZDHZCGBDHC-UHOSZYNNSA-N 3 1 395.592 0.754 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419980593 1194151922 /nfs/dbraw/zinc/15/19/22/1194151922.db2.gz RANAVTOFHPABOK-ZWKOTPCHSA-N 2 1 375.517 0.994 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419988232 1194153026 /nfs/dbraw/zinc/15/30/26/1194153026.db2.gz ZJBURFGSCODKDM-GVDBMIGSSA-N 2 1 398.548 0.075 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419996943 1194155079 /nfs/dbraw/zinc/15/50/79/1194155079.db2.gz JKPUCKXNUWBKAL-OTWHNJEPSA-N 2 1 393.576 0.509 20 0 GCADMP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420024090 1194158305 /nfs/dbraw/zinc/15/83/05/1194158305.db2.gz AEIGIJWNTMSHTI-QRVBRYPASA-N 2 1 393.576 0.636 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000420011857 1194161380 /nfs/dbraw/zinc/16/13/80/1194161380.db2.gz IOUQZEVHNKNBFS-ROUUACIJSA-N 2 1 375.517 0.994 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019558 1194163101 /nfs/dbraw/zinc/16/31/01/1194163101.db2.gz RFJGANLNJUXOHW-GUDVDZBRSA-N 2 1 395.592 0.882 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000420059973 1194164258 /nfs/dbraw/zinc/16/42/58/1194164258.db2.gz KDHNDKQKHBRYMJ-IBGZPJMESA-N 2 1 387.528 0.116 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420062911 1194165047 /nfs/dbraw/zinc/16/50/47/1194165047.db2.gz SCBGMBDCWROQSH-LJQANCHMSA-N 2 1 398.507 0.871 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420074148 1194172646 /nfs/dbraw/zinc/17/26/46/1194172646.db2.gz QCZYQSGXSXVCPU-SCTDSRPQSA-N 2 1 393.576 0.637 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420100183 1194177932 /nfs/dbraw/zinc/17/79/32/1194177932.db2.gz KHWGULATZYFOPT-CLWJZODNSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420100183 1194177936 /nfs/dbraw/zinc/17/79/36/1194177936.db2.gz KHWGULATZYFOPT-CLWJZODNSA-N 2 1 380.533 0.593 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1CCOC ZINC000420107905 1194180182 /nfs/dbraw/zinc/18/01/82/1194180182.db2.gz WMXTWAPRUJNDKO-LJQANCHMSA-N 2 1 388.512 0.865 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1CCOC ZINC000420107905 1194180189 /nfs/dbraw/zinc/18/01/89/1194180189.db2.gz WMXTWAPRUJNDKO-LJQANCHMSA-N 2 1 388.512 0.865 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136980 1194184594 /nfs/dbraw/zinc/18/45/94/1194184594.db2.gz WPNIVUVAPNGNRA-VXNCWWDNSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420178969 1194195961 /nfs/dbraw/zinc/19/59/61/1194195961.db2.gz BKOOMHRUCXSPAX-ZIFCJYIRSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420178969 1194195963 /nfs/dbraw/zinc/19/59/63/1194195963.db2.gz BKOOMHRUCXSPAX-ZIFCJYIRSA-N 2 1 388.512 0.603 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420165464 1194198969 /nfs/dbraw/zinc/19/89/69/1194198969.db2.gz NEWZTHJCELIXJA-MRXNPFEDSA-N 2 1 382.549 0.698 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420174203 1194202035 /nfs/dbraw/zinc/20/20/35/1194202035.db2.gz YGOCNDHHQJWHSF-WBVHZDCISA-N 2 1 380.533 0.593 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000420200264 1194202815 /nfs/dbraw/zinc/20/28/15/1194202815.db2.gz DSTIFRVSCZAHJU-WNRNVDISSA-N 2 1 380.533 0.450 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000420200264 1194202818 /nfs/dbraw/zinc/20/28/18/1194202818.db2.gz DSTIFRVSCZAHJU-WNRNVDISSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420202349 1194203627 /nfs/dbraw/zinc/20/36/27/1194203627.db2.gz PCHJKBHZZGFVHG-SJLPKXTDSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420192642 1194207555 /nfs/dbraw/zinc/20/75/55/1194207555.db2.gz QXDVKDCSJYECMB-HKUYNNGSSA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000420210715 1194213061 /nfs/dbraw/zinc/21/30/61/1194213061.db2.gz SLQKXRZHFPNIBV-UKBAYJJMSA-N 2 1 394.560 0.968 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420215460 1194213907 /nfs/dbraw/zinc/21/39/07/1194213907.db2.gz WHFIENRCJDXAIF-MSOLQXFVSA-N 2 1 388.512 0.973 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420215460 1194213909 /nfs/dbraw/zinc/21/39/09/1194213909.db2.gz WHFIENRCJDXAIF-MSOLQXFVSA-N 2 1 388.512 0.973 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619563 1194214490 /nfs/dbraw/zinc/21/44/90/1194214490.db2.gz CCCAJQWVROXVJI-IEBWSBKVSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000501619563 1194214494 /nfs/dbraw/zinc/21/44/94/1194214494.db2.gz CCCAJQWVROXVJI-IEBWSBKVSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000501619563 1194214496 /nfs/dbraw/zinc/21/44/96/1194214496.db2.gz CCCAJQWVROXVJI-IEBWSBKVSA-N 2 1 394.560 0.984 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501619803 1194214960 /nfs/dbraw/zinc/21/49/60/1194214960.db2.gz YCWYCADIRLBJPP-SFHVURJKSA-N 2 1 394.560 0.936 20 0 GCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501634593 1194216365 /nfs/dbraw/zinc/21/63/65/1194216365.db2.gz DSWAYWATHWUPKW-MOPGFXCFSA-N 2 1 392.544 0.548 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501634593 1194216368 /nfs/dbraw/zinc/21/63/68/1194216368.db2.gz DSWAYWATHWUPKW-MOPGFXCFSA-N 2 1 392.544 0.548 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000501637651 1194216801 /nfs/dbraw/zinc/21/68/01/1194216801.db2.gz JHOIXCVVJKNVRM-QGZVFWFLSA-N 2 1 380.533 0.404 20 0 GCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000420345622 1194222409 /nfs/dbraw/zinc/22/24/09/1194222409.db2.gz AUKOQHZVUGWNIJ-INIZCTEOSA-N 2 1 382.455 0.926 20 0 GCADMP C[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C[C@H](O)C[NH3+] ZINC000420348760 1194222799 /nfs/dbraw/zinc/22/27/99/1194222799.db2.gz AUJUWXASKREWLE-OAHLLOKOSA-N 2 1 384.502 0.051 20 0 GCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420351389 1194223122 /nfs/dbraw/zinc/22/31/22/1194223122.db2.gz WVCRBFVCCNDRMA-MOPGFXCFSA-N 2 1 376.476 0.705 20 0 GCADMP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000420351577 1194223282 /nfs/dbraw/zinc/22/32/82/1194223282.db2.gz XJVQRHFQLSFSSA-HNNXBMFYSA-N 2 1 389.456 0.085 20 0 GCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000420351577 1194223285 /nfs/dbraw/zinc/22/32/85/1194223285.db2.gz XJVQRHFQLSFSSA-HNNXBMFYSA-N 2 1 389.456 0.085 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733395 1194224446 /nfs/dbraw/zinc/22/44/46/1194224446.db2.gz SHASIBNAYHFOCE-MJGOQNOKSA-N 2 1 390.528 0.708 20 0 GCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369080 1194224557 /nfs/dbraw/zinc/22/45/57/1194224557.db2.gz BJQRWDDBCGBWEQ-JKSUJKDBSA-N 2 1 378.477 0.318 20 0 GCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369080 1194224560 /nfs/dbraw/zinc/22/45/60/1194224560.db2.gz BJQRWDDBCGBWEQ-JKSUJKDBSA-N 2 1 378.477 0.318 20 0 GCADMP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000420774956 1194262203 /nfs/dbraw/zinc/26/22/03/1194262203.db2.gz ZGHOVGZOFQLBRA-GOSISDBHSA-N 2 1 394.560 0.986 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000420774956 1194262208 /nfs/dbraw/zinc/26/22/08/1194262208.db2.gz ZGHOVGZOFQLBRA-GOSISDBHSA-N 2 1 394.560 0.986 20 0 GCADMP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)[NH+](C)C)c1 ZINC000420849913 1194268983 /nfs/dbraw/zinc/26/89/83/1194268983.db2.gz UWJURLZLLMMMIL-SJLPKXTDSA-N 2 1 376.501 0.967 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421222909 1194311477 /nfs/dbraw/zinc/31/14/77/1194311477.db2.gz ZISRZFCMUKNAAD-ROUUACIJSA-N 2 1 382.549 0.792 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421222909 1194311484 /nfs/dbraw/zinc/31/14/84/1194311484.db2.gz ZISRZFCMUKNAAD-ROUUACIJSA-N 2 1 382.549 0.792 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000502929934 1194368136 /nfs/dbraw/zinc/36/81/36/1194368136.db2.gz WBWYAHBKVZQFLK-KRWDZBQOSA-N 2 1 397.545 0.941 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103442 1194385676 /nfs/dbraw/zinc/38/56/76/1194385676.db2.gz GSESGRVOQJQIQU-WMZOPIPTSA-N 2 1 379.549 0.166 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000422132958 1194397295 /nfs/dbraw/zinc/39/72/95/1194397295.db2.gz IFJDFYRNYMFGNX-OAHLLOKOSA-N 2 1 375.473 0.291 20 0 GCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000272468742 1194463647 /nfs/dbraw/zinc/46/36/47/1194463647.db2.gz PURUZROCRZKZPQ-ZWKOTPCHSA-N 2 1 387.532 0.724 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000272468742 1194463651 /nfs/dbraw/zinc/46/36/51/1194463651.db2.gz PURUZROCRZKZPQ-ZWKOTPCHSA-N 2 1 387.532 0.724 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000272764480 1194498433 /nfs/dbraw/zinc/49/84/33/1194498433.db2.gz LGDTYPFJOYJHBV-RTBURBONSA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000272764480 1194498435 /nfs/dbraw/zinc/49/84/35/1194498435.db2.gz LGDTYPFJOYJHBV-RTBURBONSA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000272764480 1194498438 /nfs/dbraw/zinc/49/84/38/1194498438.db2.gz LGDTYPFJOYJHBV-RTBURBONSA-N 2 1 376.501 0.773 20 0 GCADMP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@H+](C)CC1 ZINC000272779689 1194500567 /nfs/dbraw/zinc/50/05/67/1194500567.db2.gz RIIPDOYGUYAIJC-QGZVFWFLSA-N 2 1 387.532 0.938 20 0 GCADMP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1=CC[N@@H+](C)CC1 ZINC000272779689 1194500571 /nfs/dbraw/zinc/50/05/71/1194500571.db2.gz RIIPDOYGUYAIJC-QGZVFWFLSA-N 2 1 387.532 0.938 20 0 GCADMP CN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000652729062 1194514881 /nfs/dbraw/zinc/51/48/81/1194514881.db2.gz OXLCFGXUDSZGAM-SFHVURJKSA-N 2 1 379.549 0.201 20 0 GCADMP CN(C(=O)C(=O)N1CCC(CC[NH3+])CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000652729062 1194514883 /nfs/dbraw/zinc/51/48/83/1194514883.db2.gz OXLCFGXUDSZGAM-SFHVURJKSA-N 2 1 379.549 0.201 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000273010422 1194530369 /nfs/dbraw/zinc/53/03/69/1194530369.db2.gz RDLROHHIYXBFQI-WOJBJXKFSA-N 2 1 389.544 0.688 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000273010422 1194530372 /nfs/dbraw/zinc/53/03/72/1194530372.db2.gz RDLROHHIYXBFQI-WOJBJXKFSA-N 2 1 389.544 0.688 20 0 GCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000273042083 1194533028 /nfs/dbraw/zinc/53/30/28/1194533028.db2.gz GIOGTPNMJZHLNB-HOJAQTOUSA-N 2 1 375.513 0.954 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000422267246 1194595829 /nfs/dbraw/zinc/59/58/29/1194595829.db2.gz IFFWVNUFMWQBTD-QGZVFWFLSA-N 2 1 388.516 0.002 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000422260841 1194601289 /nfs/dbraw/zinc/60/12/89/1194601289.db2.gz DDLOMPQCNWQVCL-HZPDHXFCSA-N 2 1 378.525 0.436 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652729342 1194603266 /nfs/dbraw/zinc/60/32/66/1194603266.db2.gz BOYXPHOMRDZSTM-MHORFTMASA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652729342 1194603270 /nfs/dbraw/zinc/60/32/70/1194603270.db2.gz BOYXPHOMRDZSTM-MHORFTMASA-N 2 1 380.533 0.530 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)CC1 ZINC000422307797 1194616551 /nfs/dbraw/zinc/61/65/51/1194616551.db2.gz OQICLYVHDNGPIW-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000422396578 1194635935 /nfs/dbraw/zinc/63/59/35/1194635935.db2.gz LGFSJQUGJAQFIM-KRWDZBQOSA-N 2 1 391.516 0.579 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCCCC[N@@H+](C)C3CC3)CC2)c1 ZINC000422454101 1194649062 /nfs/dbraw/zinc/64/90/62/1194649062.db2.gz KUFYODSLUVOIOI-UHFFFAOYSA-N 2 1 389.500 0.729 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000422498899 1194652250 /nfs/dbraw/zinc/65/22/50/1194652250.db2.gz YHLZRKZNLKSNBQ-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000422498899 1194652253 /nfs/dbraw/zinc/65/22/53/1194652253.db2.gz YHLZRKZNLKSNBQ-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000422498899 1194652256 /nfs/dbraw/zinc/65/22/56/1194652256.db2.gz YHLZRKZNLKSNBQ-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000422498899 1194652260 /nfs/dbraw/zinc/65/22/60/1194652260.db2.gz YHLZRKZNLKSNBQ-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422497422 1194652397 /nfs/dbraw/zinc/65/23/97/1194652397.db2.gz VMNRMRPXMJAYRR-QGZVFWFLSA-N 2 1 382.549 0.651 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422497422 1194652399 /nfs/dbraw/zinc/65/23/99/1194652399.db2.gz VMNRMRPXMJAYRR-QGZVFWFLSA-N 2 1 382.549 0.651 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497880 1194652506 /nfs/dbraw/zinc/65/25/06/1194652506.db2.gz WLJLGJBNOGBYKQ-ZWKOTPCHSA-N 2 1 380.533 0.405 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000422486394 1194655238 /nfs/dbraw/zinc/65/52/38/1194655238.db2.gz GTXQGHCVIJGNBC-MRXNPFEDSA-N 2 1 389.500 0.587 20 0 GCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547345 1194668345 /nfs/dbraw/zinc/66/83/45/1194668345.db2.gz WNTNFSTXTCCQIV-NQIIRXRSSA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000422547345 1194668349 /nfs/dbraw/zinc/66/83/49/1194668349.db2.gz WNTNFSTXTCCQIV-NQIIRXRSSA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000422547345 1194668354 /nfs/dbraw/zinc/66/83/54/1194668354.db2.gz WNTNFSTXTCCQIV-NQIIRXRSSA-N 2 1 388.512 0.292 20 0 GCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422638140 1194680330 /nfs/dbraw/zinc/68/03/30/1194680330.db2.gz PVIQURLXLXVOJS-IJEWVQPXSA-N 2 1 382.530 0.298 20 0 GCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422638140 1194680333 /nfs/dbraw/zinc/68/03/33/1194680333.db2.gz PVIQURLXLXVOJS-IJEWVQPXSA-N 2 1 382.530 0.298 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCO1 ZINC000423022179 1194718270 /nfs/dbraw/zinc/71/82/70/1194718270.db2.gz DTBNNKVTDQFZSC-LJQANCHMSA-N 2 1 396.491 0.670 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)C[C@H]21 ZINC000423038789 1194720572 /nfs/dbraw/zinc/72/05/72/1194720572.db2.gz PBILKXSKBCHFCT-VAMGGRTRSA-N 2 1 384.524 0.959 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000423050347 1194721884 /nfs/dbraw/zinc/72/18/84/1194721884.db2.gz LPDDTVUVZUXDRC-FUHWJXTLSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000423050347 1194721888 /nfs/dbraw/zinc/72/18/88/1194721888.db2.gz LPDDTVUVZUXDRC-FUHWJXTLSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)cc1 ZINC000423050519 1194725011 /nfs/dbraw/zinc/72/50/11/1194725011.db2.gz LZMIJPCWDDVYDJ-UHFFFAOYSA-N 2 1 388.512 0.927 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)cc1 ZINC000423050519 1194725013 /nfs/dbraw/zinc/72/50/13/1194725013.db2.gz LZMIJPCWDDVYDJ-UHFFFAOYSA-N 2 1 388.512 0.927 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423192420 1194738173 /nfs/dbraw/zinc/73/81/73/1194738173.db2.gz VGGMISKHJWECHI-UHFFFAOYSA-N 2 1 396.454 0.543 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)C[C@H](C)O1 ZINC000423200102 1194739031 /nfs/dbraw/zinc/73/90/31/1194739031.db2.gz DDYRDCDLUOCVAX-IYBDPMFKSA-N 2 1 382.549 0.778 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423205606 1194739326 /nfs/dbraw/zinc/73/93/26/1194739326.db2.gz FEJUNJGGASSSPD-CEXWTWQISA-N 2 1 393.576 0.591 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423229679 1194742061 /nfs/dbraw/zinc/74/20/61/1194742061.db2.gz HQCLJZNTLMPUCP-BGYRXZFFSA-N 2 1 384.524 0.831 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271117 1194745383 /nfs/dbraw/zinc/74/53/83/1194745383.db2.gz XGLLPBPZQYRWQZ-IBGZPJMESA-N 2 1 387.528 0.212 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC[N@@H+]1C ZINC000423374165 1194750730 /nfs/dbraw/zinc/75/07/30/1194750730.db2.gz HXEDTEMGVLVTOR-BZSNNMDCSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC[N@H+]1C ZINC000423374165 1194750733 /nfs/dbraw/zinc/75/07/33/1194750733.db2.gz HXEDTEMGVLVTOR-BZSNNMDCSA-N 2 1 380.533 0.530 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423364450 1194751295 /nfs/dbraw/zinc/75/12/95/1194751295.db2.gz ARZSRMIDVPXCNK-SFHVURJKSA-N 2 1 387.528 0.335 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423391152 1194752786 /nfs/dbraw/zinc/75/27/86/1194752786.db2.gz PKMDNPDSFARVQG-UHFFFAOYSA-N 2 1 389.544 0.710 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423392834 1194753294 /nfs/dbraw/zinc/75/32/94/1194753294.db2.gz QSQPZJLUEMYANF-UOVPBQLFSA-N 2 1 378.517 0.284 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423400492 1194753620 /nfs/dbraw/zinc/75/36/20/1194753620.db2.gz VONNUBVHVNVYLU-NRFANRHFSA-N 2 1 387.528 0.464 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423400493 1194753686 /nfs/dbraw/zinc/75/36/86/1194753686.db2.gz VONNUBVHVNVYLU-OAQYLSRUSA-N 2 1 387.528 0.464 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423443460 1194755739 /nfs/dbraw/zinc/75/57/39/1194755739.db2.gz KOLWPHLHZSFRCL-UHFFFAOYSA-N 2 1 394.560 0.794 20 0 GCADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423438725 1194757202 /nfs/dbraw/zinc/75/72/02/1194757202.db2.gz HEGRZDGPSXYZDL-HNNXBMFYSA-N 2 1 393.557 0.942 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423441619 1194757476 /nfs/dbraw/zinc/75/74/76/1194757476.db2.gz JBRXJWLCMANVHT-IRXDYDNUSA-N 2 1 382.549 0.792 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423439838 1194757499 /nfs/dbraw/zinc/75/74/99/1194757499.db2.gz IFSSMYYQZWUBKD-ZWKOTPCHSA-N 2 1 394.560 0.651 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCO1 ZINC000423465822 1194758323 /nfs/dbraw/zinc/75/83/23/1194758323.db2.gz CRBGTGSCCCYRGQ-OTWHNJEPSA-N 2 1 386.496 0.153 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423453612 1194759416 /nfs/dbraw/zinc/75/94/16/1194759416.db2.gz AYKTUAKKLARADB-PKOBYXMFSA-N 2 1 388.512 0.686 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423500620 1194759807 /nfs/dbraw/zinc/75/98/07/1194759807.db2.gz KOVHABWDRFSSMG-FUHWJXTLSA-N 2 1 380.533 0.676 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505657 1194760125 /nfs/dbraw/zinc/76/01/25/1194760125.db2.gz OQMCCCMQTCLYRD-ZIFCJYIRSA-N 2 1 394.560 0.792 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423509535 1194760310 /nfs/dbraw/zinc/76/03/10/1194760310.db2.gz RNPYJXAASDOZND-CALCHBBNSA-N 2 1 382.549 0.792 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423528077 1194760971 /nfs/dbraw/zinc/76/09/71/1194760971.db2.gz NRRCPOKVWRBULQ-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423528077 1194760973 /nfs/dbraw/zinc/76/09/73/1194760973.db2.gz NRRCPOKVWRBULQ-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494214 1194760997 /nfs/dbraw/zinc/76/09/97/1194760997.db2.gz ACEVVCKISUUGHN-LLGFUMIMSA-N 2 1 394.560 0.922 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423529225 1194761345 /nfs/dbraw/zinc/76/13/45/1194761345.db2.gz XKECEBZRKUSZIN-RTBURBONSA-N 2 1 388.512 0.686 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423529225 1194761348 /nfs/dbraw/zinc/76/13/48/1194761348.db2.gz XKECEBZRKUSZIN-RTBURBONSA-N 2 1 388.512 0.686 20 0 GCADMP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530537 1194761590 /nfs/dbraw/zinc/76/15/90/1194761590.db2.gz PPGBOLQLGSYKTK-QZTJIDSGSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]CC)CC2)CC[N@@H+]1CCOC ZINC000423532321 1194761914 /nfs/dbraw/zinc/76/19/14/1194761914.db2.gz VDMHAXJCLKNWPB-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]CC)CC2)CC[N@H+]1CCOC ZINC000423532321 1194761915 /nfs/dbraw/zinc/76/19/15/1194761915.db2.gz VDMHAXJCLKNWPB-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@@H+]1CCOC ZINC000423518376 1194762758 /nfs/dbraw/zinc/76/27/58/1194762758.db2.gz COIPLXJMMCQWQI-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@H+]1CCOC ZINC000423518376 1194762760 /nfs/dbraw/zinc/76/27/60/1194762760.db2.gz COIPLXJMMCQWQI-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423524696 1194762918 /nfs/dbraw/zinc/76/29/18/1194762918.db2.gz JWEYHQCCNWGFTM-OALUTQOASA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423524696 1194762920 /nfs/dbraw/zinc/76/29/20/1194762920.db2.gz JWEYHQCCNWGFTM-OALUTQOASA-N 2 1 394.560 0.794 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423576052 1194769271 /nfs/dbraw/zinc/76/92/71/1194769271.db2.gz XGDJXIWFMHGGPA-LZJOCLMNSA-N 2 1 388.512 0.291 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603391 1194772076 /nfs/dbraw/zinc/77/20/76/1194772076.db2.gz FDUCTQRJDLAHFN-WOJBJXKFSA-N 2 1 399.539 0.225 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000423595505 1194774830 /nfs/dbraw/zinc/77/48/30/1194774830.db2.gz PZCPHEZOMQTOMB-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423647517 1194776445 /nfs/dbraw/zinc/77/64/45/1194776445.db2.gz NCRDPJMCPGLRCG-WOJBJXKFSA-N 2 1 399.539 0.355 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423658543 1194780615 /nfs/dbraw/zinc/78/06/15/1194780615.db2.gz XVADITWXHXSNRV-UONOGXRCSA-N 2 1 394.438 0.295 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659185 1194780728 /nfs/dbraw/zinc/78/07/28/1194780728.db2.gz YYDSWOAAMUODSJ-SJLPKXTDSA-N 2 1 382.549 0.779 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423668602 1194782116 /nfs/dbraw/zinc/78/21/16/1194782116.db2.gz KGPURIKNDULJGV-ROUUACIJSA-N 2 1 382.549 0.922 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688798 1194786245 /nfs/dbraw/zinc/78/62/45/1194786245.db2.gz XRNMZZUCEMJPLT-ICSRJNTNSA-N 2 1 399.539 0.225 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688802 1194786415 /nfs/dbraw/zinc/78/64/15/1194786415.db2.gz XRNMZZUCEMJPLT-UYAOXDASSA-N 2 1 399.539 0.225 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@@H]2C[NH3+])CC1 ZINC000423725532 1194789654 /nfs/dbraw/zinc/78/96/54/1194789654.db2.gz HRPAPPLZXGMHLS-YRXWBPOGSA-N 2 1 393.576 0.589 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423741929 1194790781 /nfs/dbraw/zinc/79/07/81/1194790781.db2.gz YROCYOJFJAQHAE-WCIQWLHISA-N 2 1 382.508 0.787 20 0 GCADMP [NH3+]CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000423750676 1194791944 /nfs/dbraw/zinc/79/19/44/1194791944.db2.gz VCVLFGCGDGLSRW-STQMWFEESA-N 2 1 380.411 0.096 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000414767855 1194796529 /nfs/dbraw/zinc/79/65/29/1194796529.db2.gz GWTVONMLWWNWIB-UHFFFAOYSA-N 2 1 396.495 0.807 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424504652 1194818978 /nfs/dbraw/zinc/81/89/78/1194818978.db2.gz JWJSEUMTOKIOLK-IRXDYDNUSA-N 2 1 380.533 0.450 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424539697 1194819118 /nfs/dbraw/zinc/81/91/18/1194819118.db2.gz CUZNEDCNJHPECF-FGTMMUONSA-N 2 1 388.516 0.054 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424508748 1194819248 /nfs/dbraw/zinc/81/92/48/1194819248.db2.gz PJJFWBGHQCMFEA-CEXWTWQISA-N 2 1 396.495 0.064 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424537879 1194820168 /nfs/dbraw/zinc/82/01/68/1194820168.db2.gz BSFBFBFCABKTCZ-RBUKOAKNSA-N 2 1 398.511 0.441 20 0 GCADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647937889 1194829649 /nfs/dbraw/zinc/82/96/49/1194829649.db2.gz DMKMTWFFUDUBJM-CFAJVAMVSA-N 2 1 382.530 0.959 20 0 GCADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC[C@@H]1[NH3+] ZINC000647937889 1194829652 /nfs/dbraw/zinc/82/96/52/1194829652.db2.gz DMKMTWFFUDUBJM-CFAJVAMVSA-N 2 1 382.530 0.959 20 0 GCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434353545 1194841372 /nfs/dbraw/zinc/84/13/72/1194841372.db2.gz WMZYSUMQLACNOR-IBGZPJMESA-N 2 1 381.565 0.693 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434353545 1194841376 /nfs/dbraw/zinc/84/13/76/1194841376.db2.gz WMZYSUMQLACNOR-IBGZPJMESA-N 2 1 381.565 0.693 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434353545 1194841379 /nfs/dbraw/zinc/84/13/79/1194841379.db2.gz WMZYSUMQLACNOR-IBGZPJMESA-N 2 1 381.565 0.693 20 0 GCADMP O=S(=O)(CCOCC1CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000425161028 1194865104 /nfs/dbraw/zinc/86/51/04/1194865104.db2.gz WSBYUSDIRYWKPK-UHFFFAOYSA-N 2 1 382.530 0.940 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000664448844 1194870990 /nfs/dbraw/zinc/87/09/90/1194870990.db2.gz UBZUWYXGAKYGDY-IAGOWNOFSA-N 2 1 383.537 0.291 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000664448848 1194871120 /nfs/dbraw/zinc/87/11/20/1194871120.db2.gz UBZUWYXGAKYGDY-SJORKVTESA-N 2 1 383.537 0.291 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000514622943 1194888998 /nfs/dbraw/zinc/88/89/98/1194888998.db2.gz ZJAHYORHPYMAFO-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H]3CC[N@@H+](CCOC)C3)CC2)CC1 ZINC000514787640 1194909138 /nfs/dbraw/zinc/90/91/38/1194909138.db2.gz UABRJHVHAYBZCK-GOSISDBHSA-N 2 1 381.565 0.909 20 0 GCADMP CC[C@@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647940042 1194909627 /nfs/dbraw/zinc/90/96/27/1194909627.db2.gz KTEHIQWOUNZQKY-AEFFLSMTSA-N 2 1 394.541 0.579 20 0 GCADMP CC[C@@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000647940042 1194909628 /nfs/dbraw/zinc/90/96/28/1194909628.db2.gz KTEHIQWOUNZQKY-AEFFLSMTSA-N 2 1 394.541 0.579 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000514813618 1194916268 /nfs/dbraw/zinc/91/62/68/1194916268.db2.gz GJLGUENONRKCGI-RBUKOAKNSA-N 2 1 394.560 0.651 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000514813618 1194916270 /nfs/dbraw/zinc/91/62/70/1194916270.db2.gz GJLGUENONRKCGI-RBUKOAKNSA-N 2 1 394.560 0.651 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000514886524 1194925336 /nfs/dbraw/zinc/92/53/36/1194925336.db2.gz DRNJGTDGXNMSLG-FPAYPSAMSA-N 2 1 391.560 0.070 20 0 GCADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000435386916 1194926568 /nfs/dbraw/zinc/92/65/68/1194926568.db2.gz WEUJOEFNJZSISB-INIZCTEOSA-N 2 1 392.500 0.497 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000425382772 1194933932 /nfs/dbraw/zinc/93/39/32/1194933932.db2.gz HUBNLWAPSJWMJR-QGZVFWFLSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[NH+](C)C[C@H]43)CC2)CCO1 ZINC000425385717 1194936537 /nfs/dbraw/zinc/93/65/37/1194936537.db2.gz KYBHVKAXBUNUFZ-XYJFISCASA-N 2 1 378.517 0.251 20 0 GCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)CC2)CCO1 ZINC000425385717 1194936539 /nfs/dbraw/zinc/93/65/39/1194936539.db2.gz KYBHVKAXBUNUFZ-XYJFISCASA-N 2 1 378.517 0.251 20 0 GCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)CCO1 ZINC000425385717 1194936541 /nfs/dbraw/zinc/93/65/41/1194936541.db2.gz KYBHVKAXBUNUFZ-XYJFISCASA-N 2 1 378.517 0.251 20 0 GCADMP CC[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629046 1194950373 /nfs/dbraw/zinc/95/03/73/1194950373.db2.gz SOEHGVWYWQKQPL-INIZCTEOSA-N 2 1 382.530 0.457 20 0 GCADMP CC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629046 1194950376 /nfs/dbraw/zinc/95/03/76/1194950376.db2.gz SOEHGVWYWQKQPL-INIZCTEOSA-N 2 1 382.530 0.457 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000425403493 1194955168 /nfs/dbraw/zinc/95/51/68/1194955168.db2.gz ONYKZGJTQDZTCT-CADBVGFASA-N 2 1 391.560 0.023 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000435803255 1194965962 /nfs/dbraw/zinc/96/59/62/1194965962.db2.gz CZRJANCYBSLXAR-MRXNPFEDSA-N 2 1 397.564 0.464 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000435803255 1194965965 /nfs/dbraw/zinc/96/59/65/1194965965.db2.gz CZRJANCYBSLXAR-MRXNPFEDSA-N 2 1 397.564 0.464 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000515474430 1194977459 /nfs/dbraw/zinc/97/74/59/1194977459.db2.gz SDIHKBPQVHACAW-GOSISDBHSA-N 2 1 382.549 0.938 20 0 GCADMP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436061166 1194982942 /nfs/dbraw/zinc/98/29/42/1194982942.db2.gz GSDDJSQDPKHNBN-QGZVFWFLSA-N 2 1 376.501 0.973 20 0 GCADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436061166 1194982943 /nfs/dbraw/zinc/98/29/43/1194982943.db2.gz GSDDJSQDPKHNBN-QGZVFWFLSA-N 2 1 376.501 0.973 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436065770 1194983443 /nfs/dbraw/zinc/98/34/43/1194983443.db2.gz PNCSGECTEFPBIA-KRWDZBQOSA-N 2 1 376.501 0.973 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436065770 1194983445 /nfs/dbraw/zinc/98/34/45/1194983445.db2.gz PNCSGECTEFPBIA-KRWDZBQOSA-N 2 1 376.501 0.973 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000436066620 1194983762 /nfs/dbraw/zinc/98/37/62/1194983762.db2.gz ZMJITXTXNFNTOC-KRWDZBQOSA-N 2 1 389.500 0.722 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129124 1194986690 /nfs/dbraw/zinc/98/66/90/1194986690.db2.gz VYYYEIDRBMQSDY-IAGOWNOFSA-N 2 1 397.564 0.416 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129124 1194986693 /nfs/dbraw/zinc/98/66/93/1194986693.db2.gz VYYYEIDRBMQSDY-IAGOWNOFSA-N 2 1 397.564 0.416 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129124 1194986695 /nfs/dbraw/zinc/98/66/95/1194986695.db2.gz VYYYEIDRBMQSDY-IAGOWNOFSA-N 2 1 397.564 0.416 20 0 GCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000436142592 1194987211 /nfs/dbraw/zinc/98/72/11/1194987211.db2.gz FKAYTOGPCXRDCM-MRXNPFEDSA-N 2 1 397.564 0.416 20 0 GCADMP Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000515673321 1194990332 /nfs/dbraw/zinc/99/03/32/1194990332.db2.gz UXGQLEZIUOWBGM-HZPDHXFCSA-N 2 1 387.488 0.016 20 0 GCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1 ZINC000664540628 1194995353 /nfs/dbraw/zinc/99/53/53/1194995353.db2.gz ZOECJLPEHYGXJD-RTBURBONSA-N 2 1 393.576 0.955 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000515809147 1194998424 /nfs/dbraw/zinc/99/84/24/1194998424.db2.gz ISKSRZAPNDPPMC-RTBURBONSA-N 2 1 387.528 0.765 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000286681418 1195009929 /nfs/dbraw/zinc/00/99/29/1195009929.db2.gz SJZOEJFWDGJIHP-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000286681418 1195009933 /nfs/dbraw/zinc/00/99/33/1195009933.db2.gz SJZOEJFWDGJIHP-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP O=C(C[NH+](CCO)CCO)N1CCC2(C[NH+](CCCC(F)(F)F)C2)CC1 ZINC001270175877 1195074122 /nfs/dbraw/zinc/07/41/22/1195074122.db2.gz NPWREJMNYYUZLX-UHFFFAOYSA-N 2 1 381.439 0.540 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000549988652 1195087750 /nfs/dbraw/zinc/08/77/50/1195087750.db2.gz WHDJJQSLGLSNMT-RDJZCZTQSA-N 2 1 376.501 0.824 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000549988652 1195087754 /nfs/dbraw/zinc/08/77/54/1195087754.db2.gz WHDJJQSLGLSNMT-RDJZCZTQSA-N 2 1 376.501 0.824 20 0 GCADMP CNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cc1 ZINC000437447548 1195110096 /nfs/dbraw/zinc/11/00/96/1195110096.db2.gz NEOZSMKOEWFVGL-UHFFFAOYSA-N 2 1 389.500 0.469 20 0 GCADMP CNC(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cc1 ZINC000437447548 1195110098 /nfs/dbraw/zinc/11/00/98/1195110098.db2.gz NEOZSMKOEWFVGL-UHFFFAOYSA-N 2 1 389.500 0.469 20 0 GCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000516964881 1195120157 /nfs/dbraw/zinc/12/01/57/1195120157.db2.gz BASNCXOWYGINFW-JQVVWYNYSA-N 2 1 382.508 0.931 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425879976 1195145416 /nfs/dbraw/zinc/14/54/16/1195145416.db2.gz JLEWMHAJOZMXQM-RBUKOAKNSA-N 2 1 388.512 0.414 20 0 GCADMP COCC[NH+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425879976 1195145420 /nfs/dbraw/zinc/14/54/20/1195145420.db2.gz JLEWMHAJOZMXQM-RBUKOAKNSA-N 2 1 388.512 0.414 20 0 GCADMP COCC[NH+](C)CCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425879976 1195145424 /nfs/dbraw/zinc/14/54/24/1195145424.db2.gz JLEWMHAJOZMXQM-RBUKOAKNSA-N 2 1 388.512 0.414 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000425885610 1195151664 /nfs/dbraw/zinc/15/16/64/1195151664.db2.gz PCGCOJPEIZOHPX-SJORKVTESA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000425885610 1195151667 /nfs/dbraw/zinc/15/16/67/1195151667.db2.gz PCGCOJPEIZOHPX-SJORKVTESA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCCO1 ZINC000517424034 1195181809 /nfs/dbraw/zinc/18/18/09/1195181809.db2.gz ZHQUGGSWXNTMQS-QGZVFWFLSA-N 2 1 382.549 0.842 20 0 GCADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425994063 1195212805 /nfs/dbraw/zinc/21/28/05/1195212805.db2.gz FLPHXJZXQQXTRI-FQEVSTJZSA-N 2 1 377.485 0.577 20 0 GCADMP COC(=O)CN(C)C(=O)CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425994063 1195212808 /nfs/dbraw/zinc/21/28/08/1195212808.db2.gz FLPHXJZXQQXTRI-FQEVSTJZSA-N 2 1 377.485 0.577 20 0 GCADMP COC(=O)CN(C)C(=O)CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425994063 1195212810 /nfs/dbraw/zinc/21/28/10/1195212810.db2.gz FLPHXJZXQQXTRI-FQEVSTJZSA-N 2 1 377.485 0.577 20 0 GCADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC2)cs1 ZINC000517961357 1195232646 /nfs/dbraw/zinc/23/26/46/1195232646.db2.gz QKDRUQLRKCPDRL-CYBMUJFWSA-N 2 1 381.546 0.846 20 0 GCADMP CC(C)(CNC(=O)CN1CC[C@H](C(=O)NCC(F)(F)F)C1)N1CCOCC1 ZINC000426100574 1195233814 /nfs/dbraw/zinc/23/38/14/1195233814.db2.gz FLYBIMLEHOIDCW-ZDUSSCGKSA-N 2 1 394.438 0.214 20 0 GCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000414975455 1195277690 /nfs/dbraw/zinc/27/76/90/1195277690.db2.gz LRCLHQMGKPLTNT-YOEHRIQHSA-N 2 1 387.484 0.410 20 0 GCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000506467178 1195278549 /nfs/dbraw/zinc/27/85/49/1195278549.db2.gz FNTJOELLUBVUDA-IBGZPJMESA-N 2 1 378.521 0.206 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000518353996 1195284288 /nfs/dbraw/zinc/28/42/88/1195284288.db2.gz RKQZOKBRIGZFBE-FHWLQOOXSA-N 2 1 394.560 0.669 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000518353996 1195284293 /nfs/dbraw/zinc/28/42/93/1195284293.db2.gz RKQZOKBRIGZFBE-FHWLQOOXSA-N 2 1 394.560 0.669 20 0 GCADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCC1 ZINC000518390238 1195287696 /nfs/dbraw/zinc/28/76/96/1195287696.db2.gz OPLNQGOABQSVJA-KRWDZBQOSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000439287746 1195304499 /nfs/dbraw/zinc/30/44/99/1195304499.db2.gz XKZBYPXDQITTEP-MOPGFXCFSA-N 2 1 381.565 0.645 20 0 GCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000439287746 1195304501 /nfs/dbraw/zinc/30/45/01/1195304501.db2.gz XKZBYPXDQITTEP-MOPGFXCFSA-N 2 1 381.565 0.645 20 0 GCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000439347450 1195311317 /nfs/dbraw/zinc/31/13/17/1195311317.db2.gz VVIGAIFJLBNPCI-KRWDZBQOSA-N 2 1 387.528 0.925 20 0 GCADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000439393626 1195317373 /nfs/dbraw/zinc/31/73/73/1195317373.db2.gz GEDZRSFJVDJFPY-OAHLLOKOSA-N 2 1 389.500 0.903 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802356 1195335738 /nfs/dbraw/zinc/33/57/38/1195335738.db2.gz ALDBCYNZBUZALL-PKOBYXMFSA-N 2 1 391.560 0.214 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000518832846 1195337736 /nfs/dbraw/zinc/33/77/36/1195337736.db2.gz WYAKOSHTSBBYJR-IKGGRYGDSA-N 2 1 378.517 0.299 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506640899 1195339088 /nfs/dbraw/zinc/33/90/88/1195339088.db2.gz CEYFXFXFKNMTTP-INIZCTEOSA-N 2 1 383.537 0.339 20 0 GCADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)C(=O)N1CCOCC1 ZINC000439651354 1195339343 /nfs/dbraw/zinc/33/93/43/1195339343.db2.gz ZYWFFJGLZKEYKN-QZTJIDSGSA-N 2 1 397.564 0.681 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000518950548 1195349576 /nfs/dbraw/zinc/34/95/76/1195349576.db2.gz SRFYBDSIPYOGAZ-IAGOWNOFSA-N 2 1 381.565 0.365 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000518950548 1195349580 /nfs/dbraw/zinc/34/95/80/1195349580.db2.gz SRFYBDSIPYOGAZ-IAGOWNOFSA-N 2 1 381.565 0.365 20 0 GCADMP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000426506437 1195356653 /nfs/dbraw/zinc/35/66/53/1195356653.db2.gz GBTUFPVJWFDWAL-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000426506437 1195356656 /nfs/dbraw/zinc/35/66/56/1195356656.db2.gz GBTUFPVJWFDWAL-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000519016062 1195360069 /nfs/dbraw/zinc/36/00/69/1195360069.db2.gz RGRSRRPMTRRLSL-UHFFFAOYSA-N 2 1 395.510 0.724 20 0 GCADMP COc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000426548323 1195373395 /nfs/dbraw/zinc/37/33/95/1195373395.db2.gz MBWYOHUNBKCTNW-WNKDZCFJSA-N 2 1 387.532 0.801 20 0 GCADMP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000426548323 1195373399 /nfs/dbraw/zinc/37/33/99/1195373399.db2.gz MBWYOHUNBKCTNW-WNKDZCFJSA-N 2 1 387.532 0.801 20 0 GCADMP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000426548323 1195373404 /nfs/dbraw/zinc/37/34/04/1195373404.db2.gz MBWYOHUNBKCTNW-WNKDZCFJSA-N 2 1 387.532 0.801 20 0 GCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000550030327 1195415099 /nfs/dbraw/zinc/41/50/99/1195415099.db2.gz GDVKRIVZHMHJOS-IBGZPJMESA-N 2 1 399.539 0.273 20 0 GCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519530041 1195425629 /nfs/dbraw/zinc/42/56/29/1195425629.db2.gz HOKJKJGWXIYBLM-UHOSZYNNSA-N 2 1 375.517 0.479 20 0 GCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519530041 1195425631 /nfs/dbraw/zinc/42/56/31/1195425631.db2.gz HOKJKJGWXIYBLM-UHOSZYNNSA-N 2 1 375.517 0.479 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000550093754 1195433750 /nfs/dbraw/zinc/43/37/50/1195433750.db2.gz FGCARBVNKZDYFU-RCCFBDPRSA-N 2 1 382.549 0.696 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550095943 1195434566 /nfs/dbraw/zinc/43/45/66/1195434566.db2.gz JGWGFRAAQAAWOQ-MSOLQXFVSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550095943 1195434570 /nfs/dbraw/zinc/43/45/70/1195434570.db2.gz JGWGFRAAQAAWOQ-MSOLQXFVSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550095943 1195434573 /nfs/dbraw/zinc/43/45/73/1195434573.db2.gz JGWGFRAAQAAWOQ-MSOLQXFVSA-N 2 1 382.549 0.840 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550098527 1195434581 /nfs/dbraw/zinc/43/45/81/1195434581.db2.gz VTOCPIDLDSZOSL-MSOLQXFVSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000550098553 1195434782 /nfs/dbraw/zinc/43/47/82/1195434782.db2.gz WFVCTCSWIJSFGT-RBUKOAKNSA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550098553 1195434785 /nfs/dbraw/zinc/43/47/85/1195434785.db2.gz WFVCTCSWIJSFGT-RBUKOAKNSA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550098553 1195434788 /nfs/dbraw/zinc/43/47/88/1195434788.db2.gz WFVCTCSWIJSFGT-RBUKOAKNSA-N 2 1 396.576 0.944 20 0 GCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550095284 1195435200 /nfs/dbraw/zinc/43/52/00/1195435200.db2.gz GCTAMXYCZXPQGI-QZTJIDSGSA-N 2 1 382.549 0.650 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000550096910 1195435295 /nfs/dbraw/zinc/43/52/95/1195435295.db2.gz NMQHFNNPOUXQLD-QZTJIDSGSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000550096908 1195435549 /nfs/dbraw/zinc/43/55/49/1195435549.db2.gz NMQHFNNPOUXQLD-MSOLQXFVSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000550096830 1195435559 /nfs/dbraw/zinc/43/55/59/1195435559.db2.gz LXLYKQMJKNGKKV-KRWDZBQOSA-N 2 1 382.549 0.698 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000120490990 1195439161 /nfs/dbraw/zinc/43/91/61/1195439161.db2.gz NVHQRIGDVSYAAN-FZDBZEDMSA-N 2 1 382.549 0.600 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000120490990 1195439164 /nfs/dbraw/zinc/43/91/64/1195439164.db2.gz NVHQRIGDVSYAAN-FZDBZEDMSA-N 2 1 382.549 0.600 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000120490990 1195439166 /nfs/dbraw/zinc/43/91/66/1195439166.db2.gz NVHQRIGDVSYAAN-FZDBZEDMSA-N 2 1 382.549 0.600 20 0 GCADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000550137523 1195446938 /nfs/dbraw/zinc/44/69/38/1195446938.db2.gz FEIYDEFQLZDQHS-AEFFLSMTSA-N 2 1 380.533 0.737 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCOCC)[C@H](CC)C2)CC1 ZINC000550151313 1195448199 /nfs/dbraw/zinc/44/81/99/1195448199.db2.gz BVDVDIRRXLXGAI-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCOCC)[C@H](CC)C2)CC1 ZINC000550151313 1195448200 /nfs/dbraw/zinc/44/82/00/1195448200.db2.gz BVDVDIRRXLXGAI-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000550178298 1195454508 /nfs/dbraw/zinc/45/45/08/1195454508.db2.gz DLODJIPRQOLZFM-KSZLIROESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000550178298 1195454510 /nfs/dbraw/zinc/45/45/10/1195454510.db2.gz DLODJIPRQOLZFM-KSZLIROESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000550178298 1195454512 /nfs/dbraw/zinc/45/45/12/1195454512.db2.gz DLODJIPRQOLZFM-KSZLIROESA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000550205773 1195461673 /nfs/dbraw/zinc/46/16/73/1195461673.db2.gz FYBNYZDTRRZBKG-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000550205773 1195461674 /nfs/dbraw/zinc/46/16/74/1195461674.db2.gz FYBNYZDTRRZBKG-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000550205773 1195461676 /nfs/dbraw/zinc/46/16/76/1195461676.db2.gz FYBNYZDTRRZBKG-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000550205773 1195461678 /nfs/dbraw/zinc/46/16/78/1195461678.db2.gz FYBNYZDTRRZBKG-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000506902701 1195478456 /nfs/dbraw/zinc/47/84/56/1195478456.db2.gz MNIPQGCSQXYXQH-UHFFFAOYSA-N 2 1 383.537 0.387 20 0 GCADMP CS(=O)(=O)C1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000638804880 1195550593 /nfs/dbraw/zinc/55/05/93/1195550593.db2.gz YOBZKURUIRVWTQ-KRWDZBQOSA-N 2 1 379.526 0.792 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000333909398 1195550779 /nfs/dbraw/zinc/55/07/79/1195550779.db2.gz KVOWWVNLQAXPSC-OAQYLSRUSA-N 2 1 385.512 0.969 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519713726 1195566775 /nfs/dbraw/zinc/56/67/75/1195566775.db2.gz UFGFXQHIIJMUGI-NBOOPKSLSA-N 2 1 376.501 0.634 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519713726 1195566779 /nfs/dbraw/zinc/56/67/79/1195566779.db2.gz UFGFXQHIIJMUGI-NBOOPKSLSA-N 2 1 376.501 0.634 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000519809914 1195572230 /nfs/dbraw/zinc/57/22/30/1195572230.db2.gz JHPKBAWOMGHZDC-IBGZPJMESA-N 2 1 392.544 0.787 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000415736108 1195578281 /nfs/dbraw/zinc/57/82/81/1195578281.db2.gz NINJQXTWSCYKNK-UHFFFAOYSA-N 2 1 387.484 0.788 20 0 GCADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000520218942 1195607505 /nfs/dbraw/zinc/60/75/05/1195607505.db2.gz JEHCFNDBJMJSBU-NRFANRHFSA-N 2 1 376.545 0.607 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C[C@H](C)O ZINC000520359141 1195626192 /nfs/dbraw/zinc/62/61/92/1195626192.db2.gz PHEARYPMVDLGIX-SQGPQFPESA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C[C@H](C)O ZINC000520359141 1195626196 /nfs/dbraw/zinc/62/61/96/1195626196.db2.gz PHEARYPMVDLGIX-SQGPQFPESA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000520359141 1195626198 /nfs/dbraw/zinc/62/61/98/1195626198.db2.gz PHEARYPMVDLGIX-SQGPQFPESA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000520359141 1195626204 /nfs/dbraw/zinc/62/62/04/1195626204.db2.gz PHEARYPMVDLGIX-SQGPQFPESA-N 2 1 380.533 0.234 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000473950803 1195648104 /nfs/dbraw/zinc/64/81/04/1195648104.db2.gz ZDJWZDVOKVYNHO-UHFFFAOYSA-N 2 1 397.564 0.512 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550380896 1195648586 /nfs/dbraw/zinc/64/85/86/1195648586.db2.gz CEWVOGDGTTWDOW-RTBURBONSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000550380854 1195648650 /nfs/dbraw/zinc/64/86/50/1195648650.db2.gz BJZVTUJMMLBMOD-MSOLQXFVSA-N 2 1 397.608 0.857 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCN(C)CC1 ZINC000550386642 1195653427 /nfs/dbraw/zinc/65/34/27/1195653427.db2.gz KYBCFBDMTQASCL-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000729497314 1195744939 /nfs/dbraw/zinc/74/49/39/1195744939.db2.gz RKUDXWSELKWYEW-NUJGCVRESA-N 2 1 384.546 0.357 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000520514652 1195777980 /nfs/dbraw/zinc/77/79/80/1195777980.db2.gz SVHGWBQFKSJQQR-KZNAEPCWSA-N 2 1 380.533 0.546 20 0 GCADMP COCCN1CCN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1 ZINC000193313287 1195811759 /nfs/dbraw/zinc/81/17/59/1195811759.db2.gz QZPPCVAJMVIOJK-UHFFFAOYSA-N 2 1 376.505 0.307 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771815 1195852640 /nfs/dbraw/zinc/85/26/40/1195852640.db2.gz BSONHHSLKYSYML-RTBURBONSA-N 2 1 385.512 0.821 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417791972 1195858630 /nfs/dbraw/zinc/85/86/30/1195858630.db2.gz KALLAIUVKGOECJ-QZTJIDSGSA-N 2 1 377.533 0.857 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417791972 1195858633 /nfs/dbraw/zinc/85/86/33/1195858633.db2.gz KALLAIUVKGOECJ-QZTJIDSGSA-N 2 1 377.533 0.857 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@@H]1CC[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC2)O1 ZINC000427821118 1195881851 /nfs/dbraw/zinc/88/18/51/1195881851.db2.gz AQEHVPSIJCEHJZ-ROUUACIJSA-N 2 1 380.533 0.639 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428027539 1195905488 /nfs/dbraw/zinc/90/54/88/1195905488.db2.gz ALEOZXUQZZWASI-WBVHZDCISA-N 2 1 380.514 0.067 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428027539 1195905492 /nfs/dbraw/zinc/90/54/92/1195905492.db2.gz ALEOZXUQZZWASI-WBVHZDCISA-N 2 1 380.514 0.067 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)Nc1ccon1 ZINC000441828364 1195919412 /nfs/dbraw/zinc/91/94/12/1195919412.db2.gz VKINQMPRYUWHCX-UHFFFAOYSA-N 2 1 377.489 1.268 20 0 GCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000441970569 1195937179 /nfs/dbraw/zinc/93/71/79/1195937179.db2.gz ARUMSZQZSVKVJN-INIZCTEOSA-N 2 1 389.500 0.390 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000442167141 1195959142 /nfs/dbraw/zinc/95/91/42/1195959142.db2.gz XSQCHJABIWOGPX-LPHOPBHVSA-N 2 1 387.528 0.971 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000550456293 1195961339 /nfs/dbraw/zinc/96/13/39/1195961339.db2.gz ILRAHEZLKPXJBC-ROUUACIJSA-N 2 1 398.548 0.029 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000550455603 1195965012 /nfs/dbraw/zinc/96/50/12/1195965012.db2.gz ASXGPYGAANSZHI-KURKYZTESA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000550455603 1195965013 /nfs/dbraw/zinc/96/50/13/1195965013.db2.gz ASXGPYGAANSZHI-KURKYZTESA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000550455603 1195965016 /nfs/dbraw/zinc/96/50/16/1195965016.db2.gz ASXGPYGAANSZHI-KURKYZTESA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000550455604 1195965479 /nfs/dbraw/zinc/96/54/79/1195965479.db2.gz ASXGPYGAANSZHI-KZNAEPCWSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000550455604 1195965482 /nfs/dbraw/zinc/96/54/82/1195965482.db2.gz ASXGPYGAANSZHI-KZNAEPCWSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000550455604 1195965483 /nfs/dbraw/zinc/96/54/83/1195965483.db2.gz ASXGPYGAANSZHI-KZNAEPCWSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000550457392 1195968140 /nfs/dbraw/zinc/96/81/40/1195968140.db2.gz QWKOVSQPNOGXHZ-NCXUSEDFSA-N 2 1 396.576 0.942 20 0 GCADMP CN(C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000521212703 1195977396 /nfs/dbraw/zinc/97/73/96/1195977396.db2.gz KSJYNSYEHRUAIE-INIZCTEOSA-N 2 1 395.529 0.838 20 0 GCADMP CN(C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000521212703 1195977398 /nfs/dbraw/zinc/97/73/98/1195977398.db2.gz KSJYNSYEHRUAIE-INIZCTEOSA-N 2 1 395.529 0.838 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000550457780 1195984475 /nfs/dbraw/zinc/98/44/75/1195984475.db2.gz NWQDBEJOCQFMKQ-FGTMMUONSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000550457780 1195984478 /nfs/dbraw/zinc/98/44/78/1195984478.db2.gz NWQDBEJOCQFMKQ-FGTMMUONSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000550457780 1195984480 /nfs/dbraw/zinc/98/44/80/1195984480.db2.gz NWQDBEJOCQFMKQ-FGTMMUONSA-N 2 1 382.549 0.791 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458975 1195986521 /nfs/dbraw/zinc/98/65/21/1195986521.db2.gz UOGMGEKMASBELS-FUHWJXTLSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000550458975 1195986523 /nfs/dbraw/zinc/98/65/23/1195986523.db2.gz UOGMGEKMASBELS-FUHWJXTLSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000550458975 1195986527 /nfs/dbraw/zinc/98/65/27/1195986527.db2.gz UOGMGEKMASBELS-FUHWJXTLSA-N 2 1 380.533 0.593 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000521318932 1195987934 /nfs/dbraw/zinc/98/79/34/1195987934.db2.gz VLYYSVMEFHLMPW-QZTJIDSGSA-N 2 1 394.560 0.794 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442669589 1195998731 /nfs/dbraw/zinc/99/87/31/1195998731.db2.gz HHUZJACEIAJKCA-UHFFFAOYSA-N 2 1 396.580 0.208 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761042 1196001532 /nfs/dbraw/zinc/00/15/32/1196001532.db2.gz OTOSBVNFKUUPRK-HOTGVXAUSA-N 2 1 383.514 0.755 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754079 1196002485 /nfs/dbraw/zinc/00/24/85/1196002485.db2.gz HRKUAIHDWXGTGG-FUHWJXTLSA-N 2 1 394.541 0.330 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754079 1196002488 /nfs/dbraw/zinc/00/24/88/1196002488.db2.gz HRKUAIHDWXGTGG-FUHWJXTLSA-N 2 1 394.541 0.330 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754753 1196002522 /nfs/dbraw/zinc/00/25/22/1196002522.db2.gz IOXIWKFBUPWVNT-CABCVRRESA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754753 1196002524 /nfs/dbraw/zinc/00/25/24/1196002524.db2.gz IOXIWKFBUPWVNT-CABCVRRESA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061370 1196017608 /nfs/dbraw/zinc/01/76/08/1196017608.db2.gz RJTHDRDIEDXEID-GOEBONIOSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000522014940 1196034393 /nfs/dbraw/zinc/03/43/93/1196034393.db2.gz RSPHNEXLOGGOED-BVBHFADKSA-N 2 1 385.512 0.850 20 0 GCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000550481406 1196052658 /nfs/dbraw/zinc/05/26/58/1196052658.db2.gz NNOMTPHQTFZRNY-UHFFFAOYSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000550484331 1196054842 /nfs/dbraw/zinc/05/48/42/1196054842.db2.gz QCHBSJVNELKXES-JKSUJKDBSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000550484331 1196054843 /nfs/dbraw/zinc/05/48/43/1196054843.db2.gz QCHBSJVNELKXES-JKSUJKDBSA-N 2 1 376.501 0.278 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1CC1CC1 ZINC000474089844 1196070778 /nfs/dbraw/zinc/07/07/78/1196070778.db2.gz QIUNXLYNRLUWJR-MRXNPFEDSA-N 2 1 378.525 0.641 20 0 GCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519417 1196072239 /nfs/dbraw/zinc/07/22/39/1196072239.db2.gz OETHZFNCFJIBGB-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519417 1196072240 /nfs/dbraw/zinc/07/22/40/1196072240.db2.gz OETHZFNCFJIBGB-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519417 1196072242 /nfs/dbraw/zinc/07/22/42/1196072242.db2.gz OETHZFNCFJIBGB-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000522288848 1196073018 /nfs/dbraw/zinc/07/30/18/1196073018.db2.gz LQOUDNHCKIRCCP-OAHLLOKOSA-N 2 1 399.561 0.753 20 0 GCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895297343 1196079182 /nfs/dbraw/zinc/07/91/82/1196079182.db2.gz CDWPQQJZAXHAGA-ZWKOTPCHSA-N 2 1 396.532 0.108 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895297343 1196079187 /nfs/dbraw/zinc/07/91/87/1196079187.db2.gz CDWPQQJZAXHAGA-ZWKOTPCHSA-N 2 1 396.532 0.108 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574895 1196091080 /nfs/dbraw/zinc/09/10/80/1196091080.db2.gz JMHHBWYXRLGDMA-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574895 1196091082 /nfs/dbraw/zinc/09/10/82/1196091082.db2.gz JMHHBWYXRLGDMA-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574895 1196091083 /nfs/dbraw/zinc/09/10/83/1196091083.db2.gz JMHHBWYXRLGDMA-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574895 1196091085 /nfs/dbraw/zinc/09/10/85/1196091085.db2.gz JMHHBWYXRLGDMA-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574895 1196091087 /nfs/dbraw/zinc/09/10/87/1196091087.db2.gz JMHHBWYXRLGDMA-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP COCC[NH2+]CCNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000417893106 1196094583 /nfs/dbraw/zinc/09/45/83/1196094583.db2.gz DNDFXNGFMFTETO-UHFFFAOYSA-N 2 1 383.924 0.997 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(CC(=O)c2c(N)n(CC)c(=O)[nH]c2=O)CC1 ZINC000114475625 1196100436 /nfs/dbraw/zinc/10/04/36/1196100436.db2.gz XZRCFZXDOFXIIS-UHFFFAOYSA-N 2 1 379.505 0.765 20 0 GCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001087969519 1196139994 /nfs/dbraw/zinc/13/99/94/1196139994.db2.gz ZSRQKNPCDLSJQE-RMJJICAUSA-N 2 1 392.544 0.260 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)O2)CC[NH+]1C ZINC000332991520 1196146789 /nfs/dbraw/zinc/14/67/89/1196146789.db2.gz BXCZVHUEALGEKE-NWCWSAAOSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)O2)CC[N@@H+]1C ZINC000332991520 1196146795 /nfs/dbraw/zinc/14/67/95/1196146795.db2.gz BXCZVHUEALGEKE-NWCWSAAOSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)O2)CC[N@H+]1C ZINC000332991520 1196146798 /nfs/dbraw/zinc/14/67/98/1196146798.db2.gz BXCZVHUEALGEKE-NWCWSAAOSA-N 2 1 380.533 0.732 20 0 GCADMP C[N@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468179 1196149339 /nfs/dbraw/zinc/14/93/39/1196149339.db2.gz NMORBHSLQFJUKO-GGPKGHCWSA-N 2 1 379.549 0.376 20 0 GCADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468179 1196149341 /nfs/dbraw/zinc/14/93/41/1196149341.db2.gz NMORBHSLQFJUKO-GGPKGHCWSA-N 2 1 379.549 0.376 20 0 GCADMP C[NH+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)C[C@]2(C)C1 ZINC000896468179 1196149345 /nfs/dbraw/zinc/14/93/45/1196149345.db2.gz NMORBHSLQFJUKO-GGPKGHCWSA-N 2 1 379.549 0.376 20 0 GCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468163 1196149422 /nfs/dbraw/zinc/14/94/22/1196149422.db2.gz NBKQBZWWTDMKJL-CEXWTWQISA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896468163 1196149423 /nfs/dbraw/zinc/14/94/23/1196149423.db2.gz NBKQBZWWTDMKJL-CEXWTWQISA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896468163 1196149426 /nfs/dbraw/zinc/14/94/26/1196149426.db2.gz NBKQBZWWTDMKJL-CEXWTWQISA-N 2 1 379.549 0.661 20 0 GCADMP C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896532503 1196153660 /nfs/dbraw/zinc/15/36/60/1196153660.db2.gz LRBYLTZFIDFGFS-KBXCAEBGSA-N 2 1 388.516 0.668 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000329178969 1196172234 /nfs/dbraw/zinc/17/22/34/1196172234.db2.gz CWOWXCQGOCJCPA-IEWDOMPSSA-N 2 1 396.576 0.725 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000329178969 1196172237 /nfs/dbraw/zinc/17/22/37/1196172237.db2.gz CWOWXCQGOCJCPA-IEWDOMPSSA-N 2 1 396.576 0.725 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C[C@H](O)CC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000329178969 1196172240 /nfs/dbraw/zinc/17/22/40/1196172240.db2.gz CWOWXCQGOCJCPA-IEWDOMPSSA-N 2 1 396.576 0.725 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)CC(O)CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000329178968 1196172472 /nfs/dbraw/zinc/17/24/72/1196172472.db2.gz CWOWXCQGOCJCPA-FPAYPSAMSA-N 2 1 396.576 0.725 20 0 GCADMP O=C(C[C@H](O)CC(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000329214854 1196177020 /nfs/dbraw/zinc/17/70/20/1196177020.db2.gz LULJQZXXMTZQPG-BWTSREIZSA-N 2 1 392.544 0.521 20 0 GCADMP O=C(C[C@H](O)CC(=O)N1CC[NH+]2CCCC[C@H]2C1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000329214854 1196177021 /nfs/dbraw/zinc/17/70/21/1196177021.db2.gz LULJQZXXMTZQPG-BWTSREIZSA-N 2 1 392.544 0.521 20 0 GCADMP O=C(C[C@H](O)CC(=O)N1CC[NH+]2CCCC[C@H]2C1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000329214854 1196177024 /nfs/dbraw/zinc/17/70/24/1196177024.db2.gz LULJQZXXMTZQPG-BWTSREIZSA-N 2 1 392.544 0.521 20 0 GCADMP CC1(C)CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC[N@H+]1CCO ZINC000665460173 1196178448 /nfs/dbraw/zinc/17/84/48/1196178448.db2.gz BIXXEZWBDGUKCM-UHFFFAOYSA-N 2 1 382.549 0.976 20 0 GCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329359407 1196188561 /nfs/dbraw/zinc/18/85/61/1196188561.db2.gz BVRMXNOGJZUAPU-ZWKOTPCHSA-N 2 1 380.533 0.500 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329359407 1196188562 /nfs/dbraw/zinc/18/85/62/1196188562.db2.gz BVRMXNOGJZUAPU-ZWKOTPCHSA-N 2 1 380.533 0.500 20 0 GCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329452215 1196197383 /nfs/dbraw/zinc/19/73/83/1196197383.db2.gz LUCPWBLDKVFOMC-QYZOEREBSA-N 2 1 392.544 0.785 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011359 1196216477 /nfs/dbraw/zinc/21/64/77/1196216477.db2.gz JTTFLWZQCMHCOU-VXIBKDFQSA-N 2 1 375.517 0.462 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011359 1196216479 /nfs/dbraw/zinc/21/64/79/1196216479.db2.gz JTTFLWZQCMHCOU-VXIBKDFQSA-N 2 1 375.517 0.462 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011359 1196216481 /nfs/dbraw/zinc/21/64/81/1196216481.db2.gz JTTFLWZQCMHCOU-VXIBKDFQSA-N 2 1 375.517 0.462 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4ccnn4C)CC[C@@H]3C2)O1 ZINC001088011359 1196216484 /nfs/dbraw/zinc/21/64/84/1196216484.db2.gz JTTFLWZQCMHCOU-VXIBKDFQSA-N 2 1 375.517 0.462 20 0 GCADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012065 1196217287 /nfs/dbraw/zinc/21/72/87/1196217287.db2.gz QKVCIHQTJTVVRR-SKWUIDRYSA-N 2 1 375.517 0.728 20 0 GCADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012065 1196217290 /nfs/dbraw/zinc/21/72/90/1196217290.db2.gz QKVCIHQTJTVVRR-SKWUIDRYSA-N 2 1 375.517 0.728 20 0 GCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012065 1196217293 /nfs/dbraw/zinc/21/72/93/1196217293.db2.gz QKVCIHQTJTVVRR-SKWUIDRYSA-N 2 1 375.517 0.728 20 0 GCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088012065 1196217296 /nfs/dbraw/zinc/21/72/96/1196217296.db2.gz QKVCIHQTJTVVRR-SKWUIDRYSA-N 2 1 375.517 0.728 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)oc1C ZINC000281730162 1196327563 /nfs/dbraw/zinc/32/75/63/1196327563.db2.gz XNBKJGCQFWNNQE-CQSZACIVSA-N 2 1 386.518 0.724 20 0 GCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000281762266 1196329484 /nfs/dbraw/zinc/32/94/84/1196329484.db2.gz ASOLTTYVNGAPQW-UHFFFAOYSA-N 2 1 389.544 0.871 20 0 GCADMP CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000444234771 1196366781 /nfs/dbraw/zinc/36/67/81/1196366781.db2.gz FHDBNORYAOXXMJ-OALUTQOASA-N 2 1 393.576 0.556 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985979 1196373370 /nfs/dbraw/zinc/37/33/70/1196373370.db2.gz YFMLRHLLJXEPNG-VQTJNVASSA-N 2 1 389.544 0.995 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985977 1196373474 /nfs/dbraw/zinc/37/34/74/1196373474.db2.gz YFMLRHLLJXEPNG-PMACEKPBSA-N 2 1 389.544 0.995 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000985167505 1196379498 /nfs/dbraw/zinc/37/94/98/1196379498.db2.gz ZLHMRQYFEYYPJJ-YYIAUSFCSA-N 2 1 378.517 0.297 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000985167505 1196379500 /nfs/dbraw/zinc/37/95/00/1196379500.db2.gz ZLHMRQYFEYYPJJ-YYIAUSFCSA-N 2 1 378.517 0.297 20 0 GCADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC000897283150 1196439582 /nfs/dbraw/zinc/43/95/82/1196439582.db2.gz DXXRAPJWJOCXEU-GOSISDBHSA-N 2 1 393.557 0.553 20 0 GCADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3[C@H](CNS3(=O)=O)C2)CC1 ZINC000897283150 1196439586 /nfs/dbraw/zinc/43/95/86/1196439586.db2.gz DXXRAPJWJOCXEU-GOSISDBHSA-N 2 1 393.557 0.553 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208165 1196502703 /nfs/dbraw/zinc/50/27/03/1196502703.db2.gz NWIOXLDSCWFYHA-ROUUACIJSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208165 1196502705 /nfs/dbraw/zinc/50/27/05/1196502705.db2.gz NWIOXLDSCWFYHA-ROUUACIJSA-N 2 1 397.564 0.585 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431145 1196523447 /nfs/dbraw/zinc/52/34/47/1196523447.db2.gz YGRWQSLDRMQCGJ-DLBZAZTESA-N 2 1 383.537 0.197 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000523431145 1196523452 /nfs/dbraw/zinc/52/34/52/1196523452.db2.gz YGRWQSLDRMQCGJ-DLBZAZTESA-N 2 1 383.537 0.197 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431146 1196523590 /nfs/dbraw/zinc/52/35/90/1196523590.db2.gz YGRWQSLDRMQCGJ-IAGOWNOFSA-N 2 1 383.537 0.197 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000523431146 1196523592 /nfs/dbraw/zinc/52/35/92/1196523592.db2.gz YGRWQSLDRMQCGJ-IAGOWNOFSA-N 2 1 383.537 0.197 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626767 1196537832 /nfs/dbraw/zinc/53/78/32/1196537832.db2.gz QJHUPPUKBZSREX-ROUUACIJSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626767 1196537838 /nfs/dbraw/zinc/53/78/38/1196537838.db2.gz QJHUPPUKBZSREX-ROUUACIJSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626767 1196537842 /nfs/dbraw/zinc/53/78/42/1196537842.db2.gz QJHUPPUKBZSREX-ROUUACIJSA-N 2 1 397.564 0.585 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)COCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000523741021 1196555371 /nfs/dbraw/zinc/55/53/71/1196555371.db2.gz RQMFFUCOKIQKES-ROUUACIJSA-N 2 1 382.549 0.603 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)COCC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000523741019 1196555389 /nfs/dbraw/zinc/55/53/89/1196555389.db2.gz RQMFFUCOKIQKES-HDICACEKSA-N 2 1 382.549 0.603 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000523741019 1196555396 /nfs/dbraw/zinc/55/53/96/1196555396.db2.gz RQMFFUCOKIQKES-HDICACEKSA-N 2 1 382.549 0.603 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000523741019 1196555402 /nfs/dbraw/zinc/55/54/02/1196555402.db2.gz RQMFFUCOKIQKES-HDICACEKSA-N 2 1 382.549 0.603 20 0 GCADMP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000445929276 1196601155 /nfs/dbraw/zinc/60/11/55/1196601155.db2.gz YJTJYPNSYQYXIH-UHFFFAOYSA-N 2 1 389.500 0.423 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000524563888 1196605488 /nfs/dbraw/zinc/60/54/88/1196605488.db2.gz MTERLMRAWLGDLE-IAGOWNOFSA-N 2 1 395.548 0.374 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000524698787 1196615984 /nfs/dbraw/zinc/61/59/84/1196615984.db2.gz YDLMTVWRQOXWSB-QZTJIDSGSA-N 2 1 382.549 0.603 20 0 GCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000446227378 1196624717 /nfs/dbraw/zinc/62/47/17/1196624717.db2.gz QAUJSQPUZKKDAK-UHFFFAOYSA-N 2 1 392.504 0.317 20 0 GCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000446227378 1196624721 /nfs/dbraw/zinc/62/47/21/1196624721.db2.gz QAUJSQPUZKKDAK-UHFFFAOYSA-N 2 1 392.504 0.317 20 0 GCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996935 1196642201 /nfs/dbraw/zinc/64/22/01/1196642201.db2.gz SJKUSNUWOWXCCK-RXVVDRJESA-N 2 1 390.528 0.891 20 0 GCADMP C[C@@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996935 1196642203 /nfs/dbraw/zinc/64/22/03/1196642203.db2.gz SJKUSNUWOWXCCK-RXVVDRJESA-N 2 1 390.528 0.891 20 0 GCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000248488649 1196652387 /nfs/dbraw/zinc/65/23/87/1196652387.db2.gz MONJOYRGMZCPAO-GBESFXJTSA-N 2 1 382.549 0.852 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1 ZINC000525280696 1196663232 /nfs/dbraw/zinc/66/32/32/1196663232.db2.gz USGOOVMZSQIIJH-HNNXBMFYSA-N 2 1 378.473 0.532 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000525684501 1196699839 /nfs/dbraw/zinc/69/98/39/1196699839.db2.gz UFDAKFOXFMEOBD-RCCFBDPRSA-N 2 1 379.549 0.199 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000448532774 1196814090 /nfs/dbraw/zinc/81/40/90/1196814090.db2.gz PBXHAVXCNXWRGG-KRWDZBQOSA-N 2 1 384.484 0.774 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000529382691 1196919013 /nfs/dbraw/zinc/91/90/13/1196919013.db2.gz VCBHSWXGEYALKC-LJQANCHMSA-N 2 1 375.517 0.434 20 0 GCADMP C[C@@H]1CN(c2cc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)ncn2)C[C@H](C)[NH+]1CCO ZINC000450786536 1196954156 /nfs/dbraw/zinc/95/41/56/1196954156.db2.gz AGZNVEDXFRPONO-USTZCAOPSA-N 2 1 392.548 0.259 20 0 GCADMP c1nc(NCC[NH+]2C[C@H]3CC[C@@H](C2)O3)cc(NCC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000450796123 1196954516 /nfs/dbraw/zinc/95/45/16/1196954516.db2.gz VGCIWAAJBATIRB-USTZCAOPSA-N 2 1 388.516 1.027 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451087849 1196969731 /nfs/dbraw/zinc/96/97/31/1196969731.db2.gz VLYHZZKTPWTFFJ-UXPWSPDFSA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451087849 1196969733 /nfs/dbraw/zinc/96/97/33/1196969733.db2.gz VLYHZZKTPWTFFJ-UXPWSPDFSA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451087849 1196969736 /nfs/dbraw/zinc/96/97/36/1196969736.db2.gz VLYHZZKTPWTFFJ-UXPWSPDFSA-N 2 1 382.593 0.681 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000530711725 1197009476 /nfs/dbraw/zinc/00/94/76/1197009476.db2.gz SHHPZEOWCZOHLU-UHFFFAOYSA-N 2 1 391.520 0.790 20 0 GCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000531151315 1197048235 /nfs/dbraw/zinc/04/82/35/1197048235.db2.gz VELLPTYOLMWGNP-RCCFBDPRSA-N 2 1 380.533 0.689 20 0 GCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000531151313 1197048478 /nfs/dbraw/zinc/04/84/78/1197048478.db2.gz VELLPTYOLMWGNP-KURKYZTESA-N 2 1 380.533 0.689 20 0 GCADMP Cc1cc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000531189546 1197051599 /nfs/dbraw/zinc/05/15/99/1197051599.db2.gz LZLVYULAWSRFQT-LJQANCHMSA-N 2 1 394.520 0.663 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000531661395 1197091078 /nfs/dbraw/zinc/09/10/78/1197091078.db2.gz IOYQUPKFQNSDKR-KZNAEPCWSA-N 2 1 395.548 0.516 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000531661395 1197091081 /nfs/dbraw/zinc/09/10/81/1197091081.db2.gz IOYQUPKFQNSDKR-KZNAEPCWSA-N 2 1 395.548 0.516 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000531759066 1197095125 /nfs/dbraw/zinc/09/51/25/1197095125.db2.gz DWVWILKWQNLGAM-RTBURBONSA-N 2 1 381.565 0.691 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000532027650 1197107169 /nfs/dbraw/zinc/10/71/69/1197107169.db2.gz ZIHOYILOPKJJQD-RBUKOAKNSA-N 2 1 381.565 0.689 20 0 GCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000453804523 1197138614 /nfs/dbraw/zinc/13/86/14/1197138614.db2.gz HZMQGTDLMGLCGR-SFHVURJKSA-N 2 1 376.501 0.692 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000453806933 1197139237 /nfs/dbraw/zinc/13/92/37/1197139237.db2.gz BGQPMKAMZVKEQH-QGZVFWFLSA-N 2 1 392.500 0.529 20 0 GCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)cc1 ZINC000453917368 1197157844 /nfs/dbraw/zinc/15/78/44/1197157844.db2.gz MNTUHBNNNDJIMQ-WMLDXEAASA-N 2 1 387.484 0.678 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000174744556 1197181707 /nfs/dbraw/zinc/18/17/07/1197181707.db2.gz NQDSTITULKOZLK-LJQANCHMSA-N 2 1 388.512 0.849 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000174744556 1197181710 /nfs/dbraw/zinc/18/17/10/1197181710.db2.gz NQDSTITULKOZLK-LJQANCHMSA-N 2 1 388.512 0.849 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177971519 1197192931 /nfs/dbraw/zinc/19/29/31/1197192931.db2.gz QCTGLPRBSIAKPJ-SFHVURJKSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000178823095 1197196566 /nfs/dbraw/zinc/19/65/66/1197196566.db2.gz HAAMOQAKZMJKEO-HNNXBMFYSA-N 2 1 376.505 0.966 20 0 GCADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCOCC1 ZINC000189903966 1197239071 /nfs/dbraw/zinc/23/90/71/1197239071.db2.gz YBCBJCIJGYOOPT-NRFANRHFSA-N 2 1 390.528 0.987 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCOCC1 ZINC000189903966 1197239076 /nfs/dbraw/zinc/23/90/76/1197239076.db2.gz YBCBJCIJGYOOPT-NRFANRHFSA-N 2 1 390.528 0.987 20 0 GCADMP COc1c(C)cnc(CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000785414654 1197280410 /nfs/dbraw/zinc/28/04/10/1197280410.db2.gz LGCRVIMCIYBZLF-INIZCTEOSA-N 2 1 392.500 0.796 20 0 GCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000332969889 1197348348 /nfs/dbraw/zinc/34/83/48/1197348348.db2.gz LHYDNIBUAMVZFB-DLBZAZTESA-N 2 1 381.521 0.045 20 0 GCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000332969889 1197348350 /nfs/dbraw/zinc/34/83/50/1197348350.db2.gz LHYDNIBUAMVZFB-DLBZAZTESA-N 2 1 381.521 0.045 20 0 GCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000332969889 1197348352 /nfs/dbraw/zinc/34/83/52/1197348352.db2.gz LHYDNIBUAMVZFB-DLBZAZTESA-N 2 1 381.521 0.045 20 0 GCADMP COc1ccccc1COC[C@@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000359999260 1197379627 /nfs/dbraw/zinc/37/96/27/1197379627.db2.gz NPFRMUJBOBTPFP-IBGZPJMESA-N 2 1 394.512 0.732 20 0 GCADMP COc1cccc(COC[C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000359999577 1197379761 /nfs/dbraw/zinc/37/97/61/1197379761.db2.gz OMFZJUVZJUDEHJ-LJQANCHMSA-N 2 1 394.512 0.732 20 0 GCADMP CN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000564040170 1197385789 /nfs/dbraw/zinc/38/57/89/1197385789.db2.gz ZXSUHAAAUJJFCX-GOSISDBHSA-N 2 1 376.501 0.280 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000897493900 1197402478 /nfs/dbraw/zinc/40/24/78/1197402478.db2.gz ILWANQNIEILGSL-LJQANCHMSA-N 2 1 395.592 0.711 20 0 GCADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000897494179 1197402617 /nfs/dbraw/zinc/40/26/17/1197402617.db2.gz NAKQAEKGYDWNFF-GOSISDBHSA-N 2 1 393.576 0.463 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119863 1197411149 /nfs/dbraw/zinc/41/11/49/1197411149.db2.gz PPEVRAFJSLAZMT-NJAFHUGGSA-N 2 1 382.549 0.744 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419347128 1197417766 /nfs/dbraw/zinc/41/77/66/1197417766.db2.gz WICAMVQUBWGDTG-LJQANCHMSA-N 2 1 387.528 0.309 20 0 GCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000520796646 1197449097 /nfs/dbraw/zinc/44/90/97/1197449097.db2.gz XEHVSYUJOXEUKZ-LWYYNNOASA-N 2 1 382.508 0.787 20 0 GCADMP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000533570984 1197459259 /nfs/dbraw/zinc/45/92/59/1197459259.db2.gz CNKMSLQORRNDDM-QRFRQXIXSA-N 2 1 378.517 0.888 20 0 GCADMP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000533570984 1197459260 /nfs/dbraw/zinc/45/92/60/1197459260.db2.gz CNKMSLQORRNDDM-QRFRQXIXSA-N 2 1 378.517 0.888 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000246326668 1197463965 /nfs/dbraw/zinc/46/39/65/1197463965.db2.gz AQFQERTVXCFOLT-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000246351706 1197465410 /nfs/dbraw/zinc/46/54/10/1197465410.db2.gz DDQFQRZUYMXZJO-OTWHNJEPSA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000246351706 1197465412 /nfs/dbraw/zinc/46/54/12/1197465412.db2.gz DDQFQRZUYMXZJO-OTWHNJEPSA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC000246351706 1197465414 /nfs/dbraw/zinc/46/54/14/1197465414.db2.gz DDQFQRZUYMXZJO-OTWHNJEPSA-N 2 1 394.560 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246415796 1197469535 /nfs/dbraw/zinc/46/95/35/1197469535.db2.gz LOBWZXRCBBPEDI-GBESFXJTSA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246415796 1197469536 /nfs/dbraw/zinc/46/95/36/1197469536.db2.gz LOBWZXRCBBPEDI-GBESFXJTSA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246415796 1197469538 /nfs/dbraw/zinc/46/95/38/1197469538.db2.gz LOBWZXRCBBPEDI-GBESFXJTSA-N 2 1 393.576 0.319 20 0 GCADMP C[NH+](C)CCN1C[C@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC000074168794 1197471347 /nfs/dbraw/zinc/47/13/47/1197471347.db2.gz YQWIDPDWXWKAKJ-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000988757431 1197505183 /nfs/dbraw/zinc/50/51/83/1197505183.db2.gz UVSQRIHRZVSPNS-KJWYOANISA-N 2 1 385.468 0.773 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000988757431 1197505185 /nfs/dbraw/zinc/50/51/85/1197505185.db2.gz UVSQRIHRZVSPNS-KJWYOANISA-N 2 1 385.468 0.773 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763103 1197513618 /nfs/dbraw/zinc/51/36/18/1197513618.db2.gz GCSAOYWGBJHDHX-NVXWUHKLSA-N 2 1 393.532 0.725 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763103 1197513621 /nfs/dbraw/zinc/51/36/21/1197513621.db2.gz GCSAOYWGBJHDHX-NVXWUHKLSA-N 2 1 393.532 0.725 20 0 GCADMP Cn1ccnc1[C@@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261801832 1197515296 /nfs/dbraw/zinc/51/52/96/1197515296.db2.gz RONUFFOAULMQMG-IBGZPJMESA-N 2 1 382.512 0.711 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866266 1197516922 /nfs/dbraw/zinc/51/69/22/1197516922.db2.gz NOCIAYOYPDUGLC-ZFWWWQNUSA-N 2 1 375.498 0.836 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866266 1197516925 /nfs/dbraw/zinc/51/69/25/1197516925.db2.gz NOCIAYOYPDUGLC-ZFWWWQNUSA-N 2 1 375.498 0.836 20 0 GCADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866264 1197517016 /nfs/dbraw/zinc/51/70/16/1197517016.db2.gz NOCIAYOYPDUGLC-HIFRSBDPSA-N 2 1 375.498 0.836 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@@H]1CCC[NH2+]1 ZINC000261866264 1197517020 /nfs/dbraw/zinc/51/70/20/1197517020.db2.gz NOCIAYOYPDUGLC-HIFRSBDPSA-N 2 1 375.498 0.836 20 0 GCADMP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261928366 1197519449 /nfs/dbraw/zinc/51/94/49/1197519449.db2.gz VWYUXHBWTQEUNF-AEFFLSMTSA-N 2 1 388.512 0.892 20 0 GCADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261928366 1197519454 /nfs/dbraw/zinc/51/94/54/1197519454.db2.gz VWYUXHBWTQEUNF-AEFFLSMTSA-N 2 1 388.512 0.892 20 0 GCADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262129410 1197526043 /nfs/dbraw/zinc/52/60/43/1197526043.db2.gz NQSDAWIERYNUJR-KRWDZBQOSA-N 2 1 376.501 0.690 20 0 GCADMP O=C(CC[N@@H+]1CCCN(C(=O)Cc2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000262146702 1197526602 /nfs/dbraw/zinc/52/66/02/1197526602.db2.gz OYMTWDMOPLEZHI-UHFFFAOYSA-N 2 1 376.476 0.724 20 0 GCADMP O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000643488183 1197537534 /nfs/dbraw/zinc/53/75/34/1197537534.db2.gz SOMPSULNHKMJMP-WBVHZDCISA-N 2 1 376.526 0.645 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455653355 1197560185 /nfs/dbraw/zinc/56/01/85/1197560185.db2.gz APNGATMRQBJXGQ-UHFFFAOYSA-N 2 1 393.536 0.853 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455653355 1197560188 /nfs/dbraw/zinc/56/01/88/1197560188.db2.gz APNGATMRQBJXGQ-UHFFFAOYSA-N 2 1 393.536 0.853 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672003503 1198999295 /nfs/dbraw/zinc/99/92/95/1198999295.db2.gz LKZGVMADIUCIOV-SFHVURJKSA-N 2 1 376.501 0.414 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672008534 1199000028 /nfs/dbraw/zinc/00/00/28/1199000028.db2.gz AGYMMXHHOURYIA-INIZCTEOSA-N 2 1 382.549 0.650 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009472 1199001916 /nfs/dbraw/zinc/00/19/16/1199001916.db2.gz IDOUWYAVLRHBQL-DOTOQJQBSA-N 3 1 379.549 0.118 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009472 1199001923 /nfs/dbraw/zinc/00/19/23/1199001923.db2.gz IDOUWYAVLRHBQL-DOTOQJQBSA-N 3 1 379.549 0.118 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010334 1199004806 /nfs/dbraw/zinc/00/48/06/1199004806.db2.gz NJBMEYAYBZHBNB-MJGOQNOKSA-N 2 1 393.576 0.461 20 0 GCADMP Cc1ncoc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795253 1199010986 /nfs/dbraw/zinc/01/09/86/1199010986.db2.gz PHXVFRPGXALKQR-HCXYKTFWSA-N 2 1 384.480 0.990 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000155977758 1199027135 /nfs/dbraw/zinc/02/71/35/1199027135.db2.gz BGGLJPLRHVHOCZ-CRAIPNDOSA-N 2 1 388.516 0.859 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000155977887 1199027435 /nfs/dbraw/zinc/02/74/35/1199027435.db2.gz BGGLJPLRHVHOCZ-QAPCUYQASA-N 2 1 388.516 0.859 20 0 GCADMP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000465801806 1199070787 /nfs/dbraw/zinc/07/07/87/1199070787.db2.gz AWPDQOZFRALSBD-FQEVSTJZSA-N 2 1 394.516 0.509 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098389 1199089199 /nfs/dbraw/zinc/08/91/99/1199089199.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098389 1199089205 /nfs/dbraw/zinc/08/92/05/1199089205.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098389 1199089211 /nfs/dbraw/zinc/08/92/11/1199089211.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672098389 1199089213 /nfs/dbraw/zinc/08/92/13/1199089213.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672098389 1199089218 /nfs/dbraw/zinc/08/92/18/1199089218.db2.gz SAAYQESKPLMSLX-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203828 1199158430 /nfs/dbraw/zinc/15/84/30/1199158430.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203828 1199158432 /nfs/dbraw/zinc/15/84/32/1199158432.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203828 1199158436 /nfs/dbraw/zinc/15/84/36/1199158436.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672203828 1199158437 /nfs/dbraw/zinc/15/84/37/1199158437.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672203828 1199158439 /nfs/dbraw/zinc/15/84/39/1199158439.db2.gz NVRSNGMHZNYNCJ-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465913513 1199168033 /nfs/dbraw/zinc/16/80/33/1199168033.db2.gz YVXBILLRNDDBFT-LJQANCHMSA-N 2 1 386.537 0.258 20 0 GCADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000265777147 1199170197 /nfs/dbraw/zinc/17/01/97/1199170197.db2.gz UPIGQCSTNZXSGR-QZTJIDSGSA-N 2 1 375.517 0.798 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000656358178 1199189041 /nfs/dbraw/zinc/18/90/41/1199189041.db2.gz IZBDTRFKRXKULL-XMTFNYHQSA-N 2 1 380.533 0.735 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672305718 1199197978 /nfs/dbraw/zinc/19/79/78/1199197978.db2.gz APXLLSMANHWFOS-OTWHNJEPSA-N 2 1 392.544 0.471 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305372 1199198339 /nfs/dbraw/zinc/19/83/39/1199198339.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672305372 1199198342 /nfs/dbraw/zinc/19/83/42/1199198342.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672305372 1199198344 /nfs/dbraw/zinc/19/83/44/1199198344.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305372 1199198345 /nfs/dbraw/zinc/19/83/45/1199198345.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305372 1199198347 /nfs/dbraw/zinc/19/83/47/1199198347.db2.gz MIANWHXWXPFHDT-IEBWSBKVSA-N 2 1 391.560 0.214 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000672305719 1199198454 /nfs/dbraw/zinc/19/84/54/1199198454.db2.gz APXLLSMANHWFOS-QRVBRYPASA-N 2 1 392.544 0.471 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000672311222 1199201095 /nfs/dbraw/zinc/20/10/95/1199201095.db2.gz BLEKJPXMYAZELV-FQEVSTJZSA-N 2 1 384.524 0.974 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000672310125 1199201490 /nfs/dbraw/zinc/20/14/90/1199201490.db2.gz HWGFIKKDKYFQOL-MRXNPFEDSA-N 2 1 387.484 0.339 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000672310124 1199202016 /nfs/dbraw/zinc/20/20/16/1199202016.db2.gz HWGFIKKDKYFQOL-INIZCTEOSA-N 2 1 387.484 0.339 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672310470 1199203413 /nfs/dbraw/zinc/20/34/13/1199203413.db2.gz VNMFJUGYTCYKDP-RDJZCZTQSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672310470 1199203416 /nfs/dbraw/zinc/20/34/16/1199203416.db2.gz VNMFJUGYTCYKDP-RDJZCZTQSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310470 1199203421 /nfs/dbraw/zinc/20/34/21/1199203421.db2.gz VNMFJUGYTCYKDP-RDJZCZTQSA-N 2 1 378.517 0.299 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358017 1199215752 /nfs/dbraw/zinc/21/57/52/1199215752.db2.gz NXFNFBGSGSEDGV-OALUTQOASA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000672358017 1199215757 /nfs/dbraw/zinc/21/57/57/1199215757.db2.gz NXFNFBGSGSEDGV-OALUTQOASA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000672358017 1199215761 /nfs/dbraw/zinc/21/57/61/1199215761.db2.gz NXFNFBGSGSEDGV-OALUTQOASA-N 2 1 388.512 0.556 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC2CC[NH+](C)CC2)C1 ZINC001002790604 1199269661 /nfs/dbraw/zinc/26/96/61/1199269661.db2.gz NPEDFIJACNYAOS-AHCXZYCDSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593335 1199276200 /nfs/dbraw/zinc/27/62/00/1199276200.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672593335 1199276203 /nfs/dbraw/zinc/27/62/03/1199276203.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672593335 1199276207 /nfs/dbraw/zinc/27/62/07/1199276207.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593335 1199276210 /nfs/dbraw/zinc/27/62/10/1199276210.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593335 1199276214 /nfs/dbraw/zinc/27/62/14/1199276214.db2.gz OLTOPHNUNIJRCC-NUJGCVRESA-N 2 1 379.549 0.212 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672637819 1199292087 /nfs/dbraw/zinc/29/20/87/1199292087.db2.gz CUKKXEIDGBRUIM-WMZOPIPTSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672637819 1199292090 /nfs/dbraw/zinc/29/20/90/1199292090.db2.gz CUKKXEIDGBRUIM-WMZOPIPTSA-N 2 1 379.549 0.214 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295765 /nfs/dbraw/zinc/29/57/65/1199295765.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295769 /nfs/dbraw/zinc/29/57/69/1199295769.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295773 /nfs/dbraw/zinc/29/57/73/1199295773.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295779 /nfs/dbraw/zinc/29/57/79/1199295779.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640264 1199295784 /nfs/dbraw/zinc/29/57/84/1199295784.db2.gz UZECEMJDZHUADM-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297730 /nfs/dbraw/zinc/29/77/30/1199297730.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297734 /nfs/dbraw/zinc/29/77/34/1199297734.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297738 /nfs/dbraw/zinc/29/77/38/1199297738.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297741 /nfs/dbraw/zinc/29/77/41/1199297741.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640969 1199297748 /nfs/dbraw/zinc/29/77/48/1199297748.db2.gz HTDDJIFMDCEYNY-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643050 1199305899 /nfs/dbraw/zinc/30/58/99/1199305899.db2.gz NNLLWSQBRZWBBZ-HKUYNNGSSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643050 1199305906 /nfs/dbraw/zinc/30/59/06/1199305906.db2.gz NNLLWSQBRZWBBZ-HKUYNNGSSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642834 1199306189 /nfs/dbraw/zinc/30/61/89/1199306189.db2.gz VXTYWSJGDIOIBQ-QGZVFWFLSA-N 2 1 393.576 0.509 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642834 1199306193 /nfs/dbraw/zinc/30/61/93/1199306193.db2.gz VXTYWSJGDIOIBQ-QGZVFWFLSA-N 2 1 393.576 0.509 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672692645 1199317593 /nfs/dbraw/zinc/31/75/93/1199317593.db2.gz HIHOPNDJQWGLLR-HKUYNNGSSA-N 2 1 393.576 0.604 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672692645 1199317596 /nfs/dbraw/zinc/31/75/96/1199317596.db2.gz HIHOPNDJQWGLLR-HKUYNNGSSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001003188955 1199445750 /nfs/dbraw/zinc/44/57/50/1199445750.db2.gz HLCJAKZHUAKDRU-ZJPYXAASSA-N 2 1 378.517 0.297 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001003188955 1199445753 /nfs/dbraw/zinc/44/57/53/1199445753.db2.gz HLCJAKZHUAKDRU-ZJPYXAASSA-N 2 1 378.517 0.297 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)C1 ZINC001003193718 1199450774 /nfs/dbraw/zinc/45/07/74/1199450774.db2.gz NFLZKDODHHMXTC-WCXIOVBPSA-N 2 1 378.517 0.440 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)C1 ZINC001003193718 1199450776 /nfs/dbraw/zinc/45/07/76/1199450776.db2.gz NFLZKDODHHMXTC-WCXIOVBPSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627342669 1199466030 /nfs/dbraw/zinc/46/60/30/1199466030.db2.gz MOKQKTDRZXLRFV-AEFFLSMTSA-N 2 1 376.501 0.447 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000466147494 1199496239 /nfs/dbraw/zinc/49/62/39/1199496239.db2.gz SPBOJRFUBSMJKT-PMACEKPBSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000466147494 1199496241 /nfs/dbraw/zinc/49/62/41/1199496241.db2.gz SPBOJRFUBSMJKT-PMACEKPBSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000466147494 1199496245 /nfs/dbraw/zinc/49/62/45/1199496245.db2.gz SPBOJRFUBSMJKT-PMACEKPBSA-N 3 1 396.624 0.927 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673269191 1199509252 /nfs/dbraw/zinc/50/92/52/1199509252.db2.gz YGKSEBIVWZTASQ-QAPCUYQASA-N 2 1 389.500 0.250 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673269191 1199509258 /nfs/dbraw/zinc/50/92/58/1199509258.db2.gz YGKSEBIVWZTASQ-QAPCUYQASA-N 2 1 389.500 0.250 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307635 1199532153 /nfs/dbraw/zinc/53/21/53/1199532153.db2.gz BPCQWKPQNWGSHO-RBUKOAKNSA-N 2 1 393.576 0.606 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000673307735 1199533297 /nfs/dbraw/zinc/53/32/97/1199533297.db2.gz OJIPFISOGXJTEN-OKZBNKHCSA-N 2 1 382.549 0.983 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000673325590 1199540546 /nfs/dbraw/zinc/54/05/46/1199540546.db2.gz BCMWPGXYEGIWJX-MJGOQNOKSA-N 2 1 390.528 0.802 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)O1 ZINC001003703935 1199639002 /nfs/dbraw/zinc/63/90/02/1199639002.db2.gz MSYBWSHUFDCRID-FXXCCUJSSA-N 2 1 378.517 0.295 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)O1 ZINC001003703935 1199639004 /nfs/dbraw/zinc/63/90/04/1199639004.db2.gz MSYBWSHUFDCRID-FXXCCUJSSA-N 2 1 378.517 0.295 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)O1 ZINC001003704622 1199639996 /nfs/dbraw/zinc/63/99/96/1199639996.db2.gz YUSAHRWLIPYHAO-HSFUPAIVSA-N 2 1 390.528 0.582 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CCC[NH+]2CCC3)O1 ZINC001003704622 1199639997 /nfs/dbraw/zinc/63/99/97/1199639997.db2.gz YUSAHRWLIPYHAO-HSFUPAIVSA-N 2 1 390.528 0.582 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446303 1199659599 /nfs/dbraw/zinc/65/95/99/1199659599.db2.gz VGEPWBRCMKARBG-IAGOWNOFSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673446842 1199663748 /nfs/dbraw/zinc/66/37/48/1199663748.db2.gz OTAGSPBXZURLPT-BVIKNXMNSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673446842 1199663752 /nfs/dbraw/zinc/66/37/52/1199663752.db2.gz OTAGSPBXZURLPT-BVIKNXMNSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673446842 1199663755 /nfs/dbraw/zinc/66/37/55/1199663755.db2.gz OTAGSPBXZURLPT-BVIKNXMNSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673446842 1199663757 /nfs/dbraw/zinc/66/37/57/1199663757.db2.gz OTAGSPBXZURLPT-BVIKNXMNSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C3)CC[N@@H+]1C ZINC001003808020 1199675999 /nfs/dbraw/zinc/67/59/99/1199675999.db2.gz JMYXFLMXXRTJCH-JAJHDGGNSA-N 2 1 389.500 0.938 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C3)CC[N@H+]1C ZINC001003808020 1199676004 /nfs/dbraw/zinc/67/60/04/1199676004.db2.gz JMYXFLMXXRTJCH-JAJHDGGNSA-N 2 1 389.500 0.938 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000118102776 1199744165 /nfs/dbraw/zinc/74/41/65/1199744165.db2.gz VKZUAWWXDHWRLS-LJQANCHMSA-N 2 1 388.512 0.956 20 0 GCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CCN(C)CC3)nc1)C2 ZINC000922390019 1199771809 /nfs/dbraw/zinc/77/18/09/1199771809.db2.gz ZIZGMDAATYYIMA-BNDYYXHWSA-N 2 1 388.560 0.798 20 0 GCADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000922390019 1199771814 /nfs/dbraw/zinc/77/18/14/1199771814.db2.gz ZIZGMDAATYYIMA-BNDYYXHWSA-N 3 1 388.560 0.798 20 0 GCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N3CC[NH+](C)CC3)nc1)C2 ZINC000922390019 1199771817 /nfs/dbraw/zinc/77/18/17/1199771817.db2.gz ZIZGMDAATYYIMA-BNDYYXHWSA-N 3 1 388.560 0.798 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc4c[nH+]cn4c2)C3)O1 ZINC001004112705 1199777903 /nfs/dbraw/zinc/77/79/03/1199777903.db2.gz JCTBXFLVIPJJTQ-NPIHVYMDSA-N 2 1 397.479 0.915 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCN3Cc4ccccc4OCC3=O)cn2)CC1 ZINC000922464635 1199796550 /nfs/dbraw/zinc/79/65/50/1199796550.db2.gz XPQMTTUNCXFHCA-UHFFFAOYSA-N 2 1 396.495 0.739 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583049 1199829675 /nfs/dbraw/zinc/82/96/75/1199829675.db2.gz MQEGIBIGIFLKJA-KURKYZTESA-N 2 1 378.517 0.081 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673586372 1199831606 /nfs/dbraw/zinc/83/16/06/1199831606.db2.gz WPMHDUMDNSBHQJ-FDPIWHGQSA-N 2 1 392.544 0.469 20 0 GCADMP Cc1ncc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000624932181 1199838343 /nfs/dbraw/zinc/83/83/43/1199838343.db2.gz JIACGRRYZRBPSV-UHFFFAOYSA-N 2 1 378.502 0.614 20 0 GCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001004371770 1199870859 /nfs/dbraw/zinc/87/08/59/1199870859.db2.gz XCMWDLGUXLHZHA-MLHJIOFPSA-N 2 1 378.517 0.299 20 0 GCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001004371770 1199870863 /nfs/dbraw/zinc/87/08/63/1199870863.db2.gz XCMWDLGUXLHZHA-MLHJIOFPSA-N 2 1 378.517 0.299 20 0 GCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001004371776 1199871171 /nfs/dbraw/zinc/87/11/71/1199871171.db2.gz XCMWDLGUXLHZHA-TVFCKZIOSA-N 2 1 378.517 0.299 20 0 GCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001004371776 1199871174 /nfs/dbraw/zinc/87/11/74/1199871174.db2.gz XCMWDLGUXLHZHA-TVFCKZIOSA-N 2 1 378.517 0.299 20 0 GCADMP CN1C(=O)C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282412128 1199902618 /nfs/dbraw/zinc/90/26/18/1199902618.db2.gz GCHBXVHMJCCRQP-VQIMIIECSA-N 2 1 380.439 0.990 20 0 GCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000673669931 1199926229 /nfs/dbraw/zinc/92/62/29/1199926229.db2.gz SFIGRVJVHFEDLJ-LJQANCHMSA-N 2 1 387.528 0.962 20 0 GCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000673669931 1199926231 /nfs/dbraw/zinc/92/62/31/1199926231.db2.gz SFIGRVJVHFEDLJ-LJQANCHMSA-N 2 1 387.528 0.962 20 0 GCADMP C[N@H+]1CCCN(CCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000673671509 1199926259 /nfs/dbraw/zinc/92/62/59/1199926259.db2.gz ZWQJURZCWAXZGC-UHFFFAOYSA-N 2 1 388.560 0.738 20 0 GCADMP CN1CCC[N@H+](CCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000673671509 1199926262 /nfs/dbraw/zinc/92/62/62/1199926262.db2.gz ZWQJURZCWAXZGC-UHFFFAOYSA-N 2 1 388.560 0.738 20 0 GCADMP CN1CCC[N@@H+](CCCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000673671509 1199926263 /nfs/dbraw/zinc/92/62/63/1199926263.db2.gz ZWQJURZCWAXZGC-UHFFFAOYSA-N 2 1 388.560 0.738 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030865 1200127708 /nfs/dbraw/zinc/12/77/08/1200127708.db2.gz OVSUTRGKBURVAI-OTWHNJEPSA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030865 1200127713 /nfs/dbraw/zinc/12/77/13/1200127713.db2.gz OVSUTRGKBURVAI-OTWHNJEPSA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030865 1200127720 /nfs/dbraw/zinc/12/77/20/1200127720.db2.gz OVSUTRGKBURVAI-OTWHNJEPSA-N 2 1 381.565 0.907 20 0 GCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666208 1200130321 /nfs/dbraw/zinc/13/03/21/1200130321.db2.gz NZRNWLWDFKKFQA-NJYVYQBISA-N 2 1 386.540 0.855 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666208 1200130328 /nfs/dbraw/zinc/13/03/28/1200130328.db2.gz NZRNWLWDFKKFQA-NJYVYQBISA-N 2 1 386.540 0.855 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666208 1200130331 /nfs/dbraw/zinc/13/03/31/1200130331.db2.gz NZRNWLWDFKKFQA-NJYVYQBISA-N 2 1 386.540 0.855 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)N[C@H](C)C3CC[NH+](C)CC3)C[C@@H]2C)CC1 ZINC000674634321 1200289725 /nfs/dbraw/zinc/28/97/25/1200289725.db2.gz VSPDGKQBOFISEJ-FRQCXROJSA-N 2 1 379.549 0.911 20 0 GCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817655 1200462034 /nfs/dbraw/zinc/46/20/34/1200462034.db2.gz WLDBXGYPDBVENI-MSOLQXFVSA-N 2 1 390.594 0.290 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676278233 1200526630 /nfs/dbraw/zinc/52/66/30/1200526630.db2.gz GJRXTPIZTPPDET-RHSMWYFYSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278233 1200526639 /nfs/dbraw/zinc/52/66/39/1200526639.db2.gz GJRXTPIZTPPDET-RHSMWYFYSA-N 2 1 378.473 0.401 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000625748433 1200599925 /nfs/dbraw/zinc/59/99/25/1200599925.db2.gz YMLPZORZBVDRNH-QGZVFWFLSA-N 2 1 380.533 0.498 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000625748433 1200599930 /nfs/dbraw/zinc/59/99/30/1200599930.db2.gz YMLPZORZBVDRNH-QGZVFWFLSA-N 2 1 380.533 0.498 20 0 GCADMP CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000625776767 1200657522 /nfs/dbraw/zinc/65/75/22/1200657522.db2.gz PPLQRYKPHKDSTB-INDMIFKZSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000625776767 1200657523 /nfs/dbraw/zinc/65/75/23/1200657523.db2.gz PPLQRYKPHKDSTB-INDMIFKZSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000625776767 1200657524 /nfs/dbraw/zinc/65/75/24/1200657524.db2.gz PPLQRYKPHKDSTB-INDMIFKZSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000625776767 1200657527 /nfs/dbraw/zinc/65/75/27/1200657527.db2.gz PPLQRYKPHKDSTB-INDMIFKZSA-N 2 1 394.560 0.885 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)CCO1 ZINC000507148986 1200695608 /nfs/dbraw/zinc/69/56/08/1200695608.db2.gz YOAVPSFDZJGVSM-HNNXBMFYSA-N 2 1 398.467 0.918 20 0 GCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427101351 1200733870 /nfs/dbraw/zinc/73/38/70/1200733870.db2.gz PAJOOORLGKOBNI-INIZCTEOSA-N 2 1 390.532 1.325 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000477031729 1200790366 /nfs/dbraw/zinc/79/03/66/1200790366.db2.gz HZGFBYZNKMWUBV-SFHVURJKSA-N 2 1 395.592 0.850 20 0 GCADMP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376033715 1200795533 /nfs/dbraw/zinc/79/55/33/1200795533.db2.gz GDXGSAVKHHLBAH-HNNXBMFYSA-N 2 1 392.504 1.251 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427544437 1200880594 /nfs/dbraw/zinc/88/05/94/1200880594.db2.gz RZMACGIOVGDGIS-OAHLLOKOSA-N 2 1 376.505 0.889 20 0 GCADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000923287148 1200927141 /nfs/dbraw/zinc/92/71/41/1200927141.db2.gz RRAXDRUMWBTRGK-RCCFBDPRSA-N 2 1 378.517 0.395 20 0 GCADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000923287148 1200927144 /nfs/dbraw/zinc/92/71/44/1200927144.db2.gz RRAXDRUMWBTRGK-RCCFBDPRSA-N 2 1 378.517 0.395 20 0 GCADMP Cc1ccc(NCCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])[nH+]c1 ZINC000417061327 1200938631 /nfs/dbraw/zinc/93/86/31/1200938631.db2.gz KZBQHTLIFJJFGG-INIZCTEOSA-N 2 1 376.505 1.221 20 0 GCADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377008 1200972480 /nfs/dbraw/zinc/97/24/80/1200972480.db2.gz DVWGXLVREUJAMY-QYZOEREBSA-N 2 1 388.512 0.955 20 0 GCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000923483502 1201039760 /nfs/dbraw/zinc/03/97/60/1201039760.db2.gz BAEVPHOGKZOTLC-OAHLLOKOSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448484615 1201072653 /nfs/dbraw/zinc/07/26/53/1201072653.db2.gz SYIHOZRLIUYWSW-MRXNPFEDSA-N 2 1 378.521 1.012 20 0 GCADMP CC[NH+](CC)CCOC1CC[NH+](CCNS(=O)(=O)c2cnn(C)c2)CC1 ZINC000466741331 1201126866 /nfs/dbraw/zinc/12/68/66/1201126866.db2.gz PSNXQNYBTACSFY-UHFFFAOYSA-N 2 1 387.550 0.521 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001079154424 1201248561 /nfs/dbraw/zinc/24/85/61/1201248561.db2.gz CFKJNUOFMFFJOL-BVPBIZIASA-N 2 1 392.475 0.304 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)O1 ZINC001079154424 1201248568 /nfs/dbraw/zinc/24/85/68/1201248568.db2.gz CFKJNUOFMFFJOL-BVPBIZIASA-N 2 1 392.475 0.304 20 0 GCADMP CO[C@@H]1C[N@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691524 1201299167 /nfs/dbraw/zinc/29/91/67/1201299167.db2.gz AZSSDJRRVDBYHL-VDHUWJSZSA-N 2 1 375.517 0.803 20 0 GCADMP CO[C@@H]1C[N@@H+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691524 1201299173 /nfs/dbraw/zinc/29/91/73/1201299173.db2.gz AZSSDJRRVDBYHL-VDHUWJSZSA-N 2 1 375.517 0.803 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691524 1201299177 /nfs/dbraw/zinc/29/91/77/1201299177.db2.gz AZSSDJRRVDBYHL-VDHUWJSZSA-N 2 1 375.517 0.803 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccnc(N(C)C)c2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691524 1201299180 /nfs/dbraw/zinc/29/91/80/1201299180.db2.gz AZSSDJRRVDBYHL-VDHUWJSZSA-N 2 1 375.517 0.803 20 0 GCADMP CO[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691759 1201299531 /nfs/dbraw/zinc/29/95/31/1201299531.db2.gz OQBUBSLDCBJCSD-LRCYWBKYSA-N 2 1 386.500 0.624 20 0 GCADMP CO[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081691759 1201299534 /nfs/dbraw/zinc/29/95/34/1201299534.db2.gz OQBUBSLDCBJCSD-LRCYWBKYSA-N 2 1 386.500 0.624 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081691759 1201299538 /nfs/dbraw/zinc/29/95/38/1201299538.db2.gz OQBUBSLDCBJCSD-LRCYWBKYSA-N 2 1 386.500 0.624 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081691759 1201299540 /nfs/dbraw/zinc/29/95/40/1201299540.db2.gz OQBUBSLDCBJCSD-LRCYWBKYSA-N 2 1 386.500 0.624 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccn(C)c(=O)c3)C[C@H]2OC)CC[N@H+]1C ZINC001081699387 1201302010 /nfs/dbraw/zinc/30/20/10/1201302010.db2.gz TZOUCFUCQSYGOL-BSDSXHPESA-N 2 1 376.501 0.431 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccn(C)c(=O)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699387 1201302014 /nfs/dbraw/zinc/30/20/14/1201302014.db2.gz TZOUCFUCQSYGOL-BSDSXHPESA-N 2 1 376.501 0.431 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccn(C)c(=O)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699387 1201302019 /nfs/dbraw/zinc/30/20/19/1201302019.db2.gz TZOUCFUCQSYGOL-BSDSXHPESA-N 2 1 376.501 0.431 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[N@H+]1C ZINC001084357105 1201410491 /nfs/dbraw/zinc/41/04/91/1201410491.db2.gz IABTVOLALCWNMM-YYIAUSFCSA-N 2 1 391.516 0.191 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC001084357105 1201410497 /nfs/dbraw/zinc/41/04/97/1201410497.db2.gz IABTVOLALCWNMM-YYIAUSFCSA-N 2 1 391.516 0.191 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC001084357105 1201410502 /nfs/dbraw/zinc/41/05/02/1201410502.db2.gz IABTVOLALCWNMM-YYIAUSFCSA-N 2 1 391.516 0.191 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000731008684 1201469531 /nfs/dbraw/zinc/46/95/31/1201469531.db2.gz MJIICHJIQYPTIQ-LJQANCHMSA-N 2 1 388.512 0.722 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000731008684 1201469540 /nfs/dbraw/zinc/46/95/40/1201469540.db2.gz MJIICHJIQYPTIQ-LJQANCHMSA-N 2 1 388.512 0.722 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000731502084 1201485560 /nfs/dbraw/zinc/48/55/60/1201485560.db2.gz GJQWYYJNXWFQCU-IAGOWNOFSA-N 2 1 381.521 0.092 20 0 GCADMP Cc1noc(CCC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970185 1201513704 /nfs/dbraw/zinc/51/37/04/1201513704.db2.gz SDGCHMGMBDXUSF-NRSFXHEJSA-N 2 1 391.516 0.953 20 0 GCADMP Cc1noc(CCC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970185 1201513714 /nfs/dbraw/zinc/51/37/14/1201513714.db2.gz SDGCHMGMBDXUSF-NRSFXHEJSA-N 2 1 391.516 0.953 20 0 GCADMP Cc1noc(CCC[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970185 1201513721 /nfs/dbraw/zinc/51/37/21/1201513721.db2.gz SDGCHMGMBDXUSF-NRSFXHEJSA-N 2 1 391.516 0.953 20 0 GCADMP Cc1noc(CCC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084970185 1201513728 /nfs/dbraw/zinc/51/37/28/1201513728.db2.gz SDGCHMGMBDXUSF-NRSFXHEJSA-N 2 1 391.516 0.953 20 0 GCADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970184 1201514389 /nfs/dbraw/zinc/51/43/89/1201514389.db2.gz SCEIUQIRJDDPBT-SKWUIDRYSA-N 2 1 375.517 0.870 20 0 GCADMP Cc1nn(C)cc1C[NH+]1CC[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970184 1201514393 /nfs/dbraw/zinc/51/43/93/1201514393.db2.gz SCEIUQIRJDDPBT-SKWUIDRYSA-N 2 1 375.517 0.870 20 0 GCADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970184 1201514395 /nfs/dbraw/zinc/51/43/95/1201514395.db2.gz SCEIUQIRJDDPBT-SKWUIDRYSA-N 2 1 375.517 0.870 20 0 GCADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]21 ZINC001084970184 1201514396 /nfs/dbraw/zinc/51/43/96/1201514396.db2.gz SCEIUQIRJDDPBT-SKWUIDRYSA-N 2 1 375.517 0.870 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)NC(C)(C)C2=O)CC[N@H+]1C ZINC001085202373 1201633628 /nfs/dbraw/zinc/63/36/28/1201633628.db2.gz ZITINAJBSJBYKB-KLHDSHLOSA-N 2 1 393.532 0.674 20 0 GCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085243118 1201648073 /nfs/dbraw/zinc/64/80/73/1201648073.db2.gz VSSLBRNTDOBCEY-BNEJOLLZSA-N 2 1 378.521 0.631 20 0 GCADMP Cc1nc(C)n(CC[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085243118 1201648074 /nfs/dbraw/zinc/64/80/74/1201648074.db2.gz VSSLBRNTDOBCEY-BNEJOLLZSA-N 2 1 378.521 0.631 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734277546 1201649811 /nfs/dbraw/zinc/64/98/11/1201649811.db2.gz XHIREYXCPMZXFO-GOSISDBHSA-N 2 1 395.548 0.482 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000735597336 1201696181 /nfs/dbraw/zinc/69/61/81/1201696181.db2.gz WIGIEIRIKPIJTA-HZPDHXFCSA-N 2 1 384.440 0.494 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000735597336 1201696182 /nfs/dbraw/zinc/69/61/82/1201696182.db2.gz WIGIEIRIKPIJTA-HZPDHXFCSA-N 2 1 384.440 0.494 20 0 GCADMP CN(C1CCOCC1)S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000739950242 1201744059 /nfs/dbraw/zinc/74/40/59/1201744059.db2.gz WUPBYYOAWSANKU-UHFFFAOYSA-N 2 1 397.545 0.539 20 0 GCADMP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@@H]1CCC[NH+](C)C1 ZINC000741253782 1201769525 /nfs/dbraw/zinc/76/95/25/1201769525.db2.gz XKMXDKGVOZFXSU-OAHLLOKOSA-N 2 1 379.505 0.936 20 0 GCADMP C[NH+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@@H]1CCC[N@H+](C)C1 ZINC000741253782 1201769529 /nfs/dbraw/zinc/76/95/29/1201769529.db2.gz XKMXDKGVOZFXSU-OAHLLOKOSA-N 2 1 379.505 0.936 20 0 GCADMP C[NH+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741253782 1201769534 /nfs/dbraw/zinc/76/95/34/1201769534.db2.gz XKMXDKGVOZFXSU-OAHLLOKOSA-N 2 1 379.505 0.936 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)O1 ZINC001006305864 1201872033 /nfs/dbraw/zinc/87/20/33/1201872033.db2.gz JVMYFWVWEKISQF-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C3)O1 ZINC001006305864 1201872037 /nfs/dbraw/zinc/87/20/37/1201872037.db2.gz JVMYFWVWEKISQF-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C3)O1 ZINC001006305864 1201872040 /nfs/dbraw/zinc/87/20/40/1201872040.db2.gz JVMYFWVWEKISQF-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[N@H+]2CCC(C)(C)C2)C3)O1 ZINC001006305864 1201872043 /nfs/dbraw/zinc/87/20/43/1201872043.db2.gz JVMYFWVWEKISQF-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001169167748 1201934688 /nfs/dbraw/zinc/93/46/88/1201934688.db2.gz KZYOTIARQBJZOT-GJZGRUSLSA-N 2 1 376.505 0.534 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC001169197619 1201936247 /nfs/dbraw/zinc/93/62/47/1201936247.db2.gz WEWQVUXUZPFKPP-BZUAXINKSA-N 2 1 390.532 0.922 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001169197619 1201936248 /nfs/dbraw/zinc/93/62/48/1201936248.db2.gz WEWQVUXUZPFKPP-BZUAXINKSA-N 2 1 390.532 0.922 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2nccn2CC1 ZINC001169208578 1201938164 /nfs/dbraw/zinc/93/81/64/1201938164.db2.gz OZWZYJRILIDLKP-HNNXBMFYSA-N 2 1 399.499 0.747 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001169208578 1201938165 /nfs/dbraw/zinc/93/81/65/1201938165.db2.gz OZWZYJRILIDLKP-HNNXBMFYSA-N 2 1 399.499 0.747 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001169208578 1201938168 /nfs/dbraw/zinc/93/81/68/1201938168.db2.gz OZWZYJRILIDLKP-HNNXBMFYSA-N 2 1 399.499 0.747 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001169205591 1201940109 /nfs/dbraw/zinc/94/01/09/1201940109.db2.gz FYCSBJPZJCJCTA-HRCADAONSA-N 2 1 388.516 0.486 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001169205591 1201940111 /nfs/dbraw/zinc/94/01/11/1201940111.db2.gz FYCSBJPZJCJCTA-HRCADAONSA-N 2 1 388.516 0.486 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001169205591 1201940113 /nfs/dbraw/zinc/94/01/13/1201940113.db2.gz FYCSBJPZJCJCTA-HRCADAONSA-N 2 1 388.516 0.486 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398616 1201945974 /nfs/dbraw/zinc/94/59/74/1201945974.db2.gz SALNCVGGOFBVAA-BRSBDYLESA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398616 1201945976 /nfs/dbraw/zinc/94/59/76/1201945976.db2.gz SALNCVGGOFBVAA-BRSBDYLESA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398616 1201945978 /nfs/dbraw/zinc/94/59/78/1201945978.db2.gz SALNCVGGOFBVAA-BRSBDYLESA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397478 1201946253 /nfs/dbraw/zinc/94/62/53/1201946253.db2.gz OBCXAMSTABSCTB-ZBRFXRBCSA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397478 1201946254 /nfs/dbraw/zinc/94/62/54/1201946254.db2.gz OBCXAMSTABSCTB-ZBRFXRBCSA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CO1 ZINC001169397478 1201946255 /nfs/dbraw/zinc/94/62/55/1201946255.db2.gz OBCXAMSTABSCTB-ZBRFXRBCSA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CO1 ZINC001169397478 1201946257 /nfs/dbraw/zinc/94/62/57/1201946257.db2.gz OBCXAMSTABSCTB-ZBRFXRBCSA-N 2 1 377.489 0.783 20 0 GCADMP CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001169467405 1201949419 /nfs/dbraw/zinc/94/94/19/1201949419.db2.gz MOJSFXOGFFBQOM-CQSZACIVSA-N 2 1 379.505 0.971 20 0 GCADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001169467405 1201949421 /nfs/dbraw/zinc/94/94/21/1201949421.db2.gz MOJSFXOGFFBQOM-CQSZACIVSA-N 2 1 379.505 0.971 20 0 GCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001109418071 1202041554 /nfs/dbraw/zinc/04/15/54/1202041554.db2.gz WPURLDMVRYHEQH-WCVJEAGWSA-N 2 1 377.489 0.134 20 0 GCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001109418071 1202041555 /nfs/dbraw/zinc/04/15/55/1202041555.db2.gz WPURLDMVRYHEQH-WCVJEAGWSA-N 2 1 377.489 0.134 20 0 GCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001109418071 1202041556 /nfs/dbraw/zinc/04/15/56/1202041556.db2.gz WPURLDMVRYHEQH-WCVJEAGWSA-N 2 1 377.489 0.134 20 0 GCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109418168 1202041608 /nfs/dbraw/zinc/04/16/08/1202041608.db2.gz ZYOSCUMWVLDVDT-NCOADZHNSA-N 2 1 376.501 0.731 20 0 GCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109418168 1202041612 /nfs/dbraw/zinc/04/16/12/1202041612.db2.gz ZYOSCUMWVLDVDT-NCOADZHNSA-N 2 1 376.501 0.731 20 0 GCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109418168 1202041615 /nfs/dbraw/zinc/04/16/15/1202041615.db2.gz ZYOSCUMWVLDVDT-NCOADZHNSA-N 2 1 376.501 0.731 20 0 GCADMP CN1CC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C3)C1=O ZINC001109447617 1202053546 /nfs/dbraw/zinc/05/35/46/1202053546.db2.gz WZRHSAGPCJHXTK-LTIDMASMSA-N 2 1 378.517 0.297 20 0 GCADMP CN1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C3)C1=O ZINC001109447617 1202053550 /nfs/dbraw/zinc/05/35/50/1202053550.db2.gz WZRHSAGPCJHXTK-LTIDMASMSA-N 2 1 378.517 0.297 20 0 GCADMP COCCOC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485055 1202061428 /nfs/dbraw/zinc/06/14/28/1202061428.db2.gz IHLRFXVLTZDPLZ-BDXSIMOUSA-N 2 1 381.517 0.360 20 0 GCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109655212 1202099001 /nfs/dbraw/zinc/09/90/01/1202099001.db2.gz LKYTZVODYPXCFB-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001109688187 1202104268 /nfs/dbraw/zinc/10/42/68/1202104268.db2.gz BAXAEEPZIUVVMM-WBTNSWJXSA-N 2 1 379.505 0.236 20 0 GCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109688295 1202104338 /nfs/dbraw/zinc/10/43/38/1202104338.db2.gz HHSCICKAQZRRDU-QLCXLMDBSA-N 2 1 380.533 0.277 20 0 GCADMP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[NH+]1CCCC1 ZINC001109735409 1202115170 /nfs/dbraw/zinc/11/51/70/1202115170.db2.gz FRAHMAFFWHDQRD-MHORFTMASA-N 2 1 376.505 0.501 20 0 GCADMP C[C@@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900590 1202146068 /nfs/dbraw/zinc/14/60/68/1202146068.db2.gz XIVFUMNAFIDUHJ-DHXZDTOLSA-N 2 1 378.517 0.486 20 0 GCADMP C[C@@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900590 1202146070 /nfs/dbraw/zinc/14/60/70/1202146070.db2.gz XIVFUMNAFIDUHJ-DHXZDTOLSA-N 2 1 378.517 0.486 20 0 GCADMP CC1CCN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)CC1 ZINC001109977578 1202165163 /nfs/dbraw/zinc/16/51/63/1202165163.db2.gz PMTUBFFEQJAVOO-SQNIBIBYSA-N 2 1 380.533 0.545 20 0 GCADMP CC1CCN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)CC1 ZINC001109977578 1202165165 /nfs/dbraw/zinc/16/51/65/1202165165.db2.gz PMTUBFFEQJAVOO-SQNIBIBYSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@H](C(=O)N1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979726 1202165975 /nfs/dbraw/zinc/16/59/75/1202165975.db2.gz AWFSOZIZOIOZHO-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979726 1202165977 /nfs/dbraw/zinc/16/59/77/1202165977.db2.gz AWFSOZIZOIOZHO-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP CC(C)[N@H+](C)[C@@H]1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001157001984 1202172657 /nfs/dbraw/zinc/17/26/57/1202172657.db2.gz RHJKPDBVPRIALS-MRXNPFEDSA-N 2 1 391.520 0.464 20 0 GCADMP CC(C)[N@@H+](C)[C@@H]1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001157001984 1202172658 /nfs/dbraw/zinc/17/26/58/1202172658.db2.gz RHJKPDBVPRIALS-MRXNPFEDSA-N 2 1 391.520 0.464 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002817 1202173222 /nfs/dbraw/zinc/17/32/22/1202173222.db2.gz WJYPEJWFOZKXBE-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002817 1202173224 /nfs/dbraw/zinc/17/32/24/1202173224.db2.gz WJYPEJWFOZKXBE-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110013731 1202174964 /nfs/dbraw/zinc/17/49/64/1202174964.db2.gz YOWJJMNFDSLKKO-WCVJEAGWSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110013731 1202174965 /nfs/dbraw/zinc/17/49/65/1202174965.db2.gz YOWJJMNFDSLKKO-WCVJEAGWSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110013731 1202174966 /nfs/dbraw/zinc/17/49/66/1202174966.db2.gz YOWJJMNFDSLKKO-WCVJEAGWSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NCC ZINC001110013731 1202174967 /nfs/dbraw/zinc/17/49/67/1202174967.db2.gz YOWJJMNFDSLKKO-WCVJEAGWSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001110022392 1202175981 /nfs/dbraw/zinc/17/59/81/1202175981.db2.gz WHLVBPFGCTVTOU-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001110022392 1202175983 /nfs/dbraw/zinc/17/59/83/1202175983.db2.gz WHLVBPFGCTVTOU-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001110022392 1202175985 /nfs/dbraw/zinc/17/59/85/1202175985.db2.gz WHLVBPFGCTVTOU-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001110022392 1202175987 /nfs/dbraw/zinc/17/59/87/1202175987.db2.gz WHLVBPFGCTVTOU-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCC(F)(F)F ZINC001110017624 1202176039 /nfs/dbraw/zinc/17/60/39/1202176039.db2.gz FUMAYXUDSMDONC-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110017624 1202176040 /nfs/dbraw/zinc/17/60/40/1202176040.db2.gz FUMAYXUDSMDONC-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110017624 1202176044 /nfs/dbraw/zinc/17/60/44/1202176044.db2.gz FUMAYXUDSMDONC-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787668129 1205398222 /nfs/dbraw/zinc/39/82/22/1205398222.db2.gz DAQMWZUEPCHCAH-WMZOPIPTSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787703835 1205399159 /nfs/dbraw/zinc/39/91/59/1205399159.db2.gz DNTTXIDMBZXCHZ-XWTMOSNGSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787703835 1205399161 /nfs/dbraw/zinc/39/91/61/1205399161.db2.gz DNTTXIDMBZXCHZ-XWTMOSNGSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910563 1205407188 /nfs/dbraw/zinc/40/71/88/1205407188.db2.gz ONZYQTSVHOUDJC-FGTMMUONSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787910563 1205407189 /nfs/dbraw/zinc/40/71/89/1205407189.db2.gz ONZYQTSVHOUDJC-FGTMMUONSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787910563 1205407191 /nfs/dbraw/zinc/40/71/91/1205407191.db2.gz ONZYQTSVHOUDJC-FGTMMUONSA-N 2 1 380.533 0.594 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000790209527 1205458760 /nfs/dbraw/zinc/45/87/60/1205458760.db2.gz OGFUIYFJQLLRQG-ZWKOTPCHSA-N 2 1 381.565 0.367 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000790209521 1205459014 /nfs/dbraw/zinc/45/90/14/1205459014.db2.gz OGFUIYFJQLLRQG-MSOLQXFVSA-N 2 1 381.565 0.367 20 0 GCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273886 1205461543 /nfs/dbraw/zinc/46/15/43/1205461543.db2.gz OLMXRJKVYRQXJR-KSZLIROESA-N 2 1 378.517 0.489 20 0 GCADMP COC(=O)CC[N@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCOCC1 ZINC000790363443 1205462721 /nfs/dbraw/zinc/46/27/21/1205462721.db2.gz AVMZZNQWXPHSAH-IBGZPJMESA-N 2 1 381.473 0.905 20 0 GCADMP COC(=O)CC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCOCC1 ZINC000790363443 1205462722 /nfs/dbraw/zinc/46/27/22/1205462722.db2.gz AVMZZNQWXPHSAH-IBGZPJMESA-N 2 1 381.473 0.905 20 0 GCADMP O=S(=O)(C[C@H]1CCCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000792753816 1205493310 /nfs/dbraw/zinc/49/33/10/1205493310.db2.gz UHRUTGJZKCYFQE-KRWDZBQOSA-N 2 1 382.530 0.940 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718019 1205503355 /nfs/dbraw/zinc/50/33/55/1205503355.db2.gz AEAQOSYGOIPAII-IAGOWNOFSA-N 2 1 395.548 0.036 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000793717048 1205503521 /nfs/dbraw/zinc/50/35/21/1205503521.db2.gz DGGVIOHSIFHRDF-FHWLQOOXSA-N 2 1 388.512 0.693 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000793725138 1205503697 /nfs/dbraw/zinc/50/36/97/1205503697.db2.gz PUGZLFWMRFWAQS-KRWDZBQOSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)([NH+](C)C)C1 ZINC000793815136 1205507256 /nfs/dbraw/zinc/50/72/56/1205507256.db2.gz WFQUWFTYPCCJCG-WWNBULGVSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)([NH+](C)C)C1 ZINC000793815139 1205507413 /nfs/dbraw/zinc/50/74/13/1205507413.db2.gz WFQUWFTYPCCJCG-YLAKUSLOSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793915349 1205509453 /nfs/dbraw/zinc/50/94/53/1205509453.db2.gz XSGIMLPBKYKAKA-ADHGMGHFSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793915349 1205509454 /nfs/dbraw/zinc/50/94/54/1205509454.db2.gz XSGIMLPBKYKAKA-ADHGMGHFSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793915349 1205509455 /nfs/dbraw/zinc/50/94/55/1205509455.db2.gz XSGIMLPBKYKAKA-ADHGMGHFSA-N 2 1 380.533 0.448 20 0 GCADMP CC(C)COCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129854989 1205521128 /nfs/dbraw/zinc/52/11/28/1205521128.db2.gz DRPLKUHDUQCGQO-TVFCKZIOSA-N 2 1 378.521 0.632 20 0 GCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@@H]1n1ccnn1 ZINC001129858039 1205521145 /nfs/dbraw/zinc/52/11/45/1205521145.db2.gz MIZJYDYWUBWCPV-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000806210528 1205551920 /nfs/dbraw/zinc/55/19/20/1205551920.db2.gz SLHUPVOBVFSGQP-SOLBZPMBSA-N 2 1 379.549 0.260 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000806210528 1205551921 /nfs/dbraw/zinc/55/19/21/1205551921.db2.gz SLHUPVOBVFSGQP-SOLBZPMBSA-N 2 1 379.549 0.260 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000806502855 1205557872 /nfs/dbraw/zinc/55/78/72/1205557872.db2.gz JDLJXKMMOPDZNO-WDSOQIARSA-N 2 1 393.576 0.602 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000806502855 1205557873 /nfs/dbraw/zinc/55/78/73/1205557873.db2.gz JDLJXKMMOPDZNO-WDSOQIARSA-N 2 1 393.576 0.602 20 0 GCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000806505207 1205558009 /nfs/dbraw/zinc/55/80/09/1205558009.db2.gz VZBDXEBXRNUIMX-KSZLIROESA-N 2 1 379.549 0.214 20 0 GCADMP COCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n2)O1 ZINC001130783477 1205570203 /nfs/dbraw/zinc/57/02/03/1205570203.db2.gz ZWRCSGQATPZGNW-LXTVHRRPSA-N 2 1 380.493 0.217 20 0 GCADMP COCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783477 1205570206 /nfs/dbraw/zinc/57/02/06/1205570206.db2.gz ZWRCSGQATPZGNW-LXTVHRRPSA-N 2 1 380.493 0.217 20 0 GCADMP COCC[NH2+]C[C@@H]1CC[C@H](c2nc(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)n[nH]2)O1 ZINC001130783477 1205570207 /nfs/dbraw/zinc/57/02/07/1205570207.db2.gz ZWRCSGQATPZGNW-LXTVHRRPSA-N 2 1 380.493 0.217 20 0 GCADMP CCOC(=O)C1=C(Nc2ccc(C(=O)NC3CC[NH+](C)CC3)nn2)CC[NH2+]C1 ZINC001170516756 1205573942 /nfs/dbraw/zinc/57/39/42/1205573942.db2.gz YBKIPTIQFVQOJM-UHFFFAOYSA-N 2 1 388.472 0.523 20 0 GCADMP NC(=O)C[C@H]1CC[N@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227803 1205603146 /nfs/dbraw/zinc/60/31/46/1205603146.db2.gz DNWPHFZXQSOBPU-DYESRHJHSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@H]1CC[N@@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227803 1205603148 /nfs/dbraw/zinc/60/31/48/1205603148.db2.gz DNWPHFZXQSOBPU-DYESRHJHSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@H]1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227803 1205603150 /nfs/dbraw/zinc/60/31/50/1205603150.db2.gz DNWPHFZXQSOBPU-DYESRHJHSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@H]1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227803 1205603154 /nfs/dbraw/zinc/60/31/54/1205603154.db2.gz DNWPHFZXQSOBPU-DYESRHJHSA-N 2 1 399.495 0.728 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)NC)CC2)CC[N@H+]1C ZINC001131500040 1205613325 /nfs/dbraw/zinc/61/33/25/1205613325.db2.gz GMIJXXFLQUEOGY-FAJBIJEISA-N 2 1 380.533 0.448 20 0 GCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086700090 1205660171 /nfs/dbraw/zinc/66/01/71/1205660171.db2.gz WTVGFYGMJUDJOZ-QKPAOTATSA-N 2 1 379.505 0.973 20 0 GCADMP COCCc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086700090 1205660172 /nfs/dbraw/zinc/66/01/72/1205660172.db2.gz WTVGFYGMJUDJOZ-QKPAOTATSA-N 2 1 379.505 0.973 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001086700832 1205660662 /nfs/dbraw/zinc/66/06/62/1205660662.db2.gz ONXXHVZBLLVMSR-VVLHAWIVSA-N 2 1 390.532 0.913 20 0 GCADMP O=C(CNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296863 1205689239 /nfs/dbraw/zinc/68/92/39/1205689239.db2.gz MLKJNZSVSCYHJT-IRXDYDNUSA-N 2 1 381.521 0.141 20 0 GCADMP O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@@]1(CO)COCC[NH2+]1 ZINC001171662440 1205708649 /nfs/dbraw/zinc/70/86/49/1205708649.db2.gz YTZXEYBOHOSWEQ-LJQANCHMSA-N 2 1 396.919 0.319 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172013417 1205711363 /nfs/dbraw/zinc/71/13/63/1205711363.db2.gz IGPLZWQODCWSIN-AWEZNQCLSA-N 2 1 375.473 0.478 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172013417 1205711366 /nfs/dbraw/zinc/71/13/66/1205711366.db2.gz IGPLZWQODCWSIN-AWEZNQCLSA-N 2 1 375.473 0.478 20 0 GCADMP Cc1cn([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001172107785 1205713171 /nfs/dbraw/zinc/71/31/71/1205713171.db2.gz CFUHGTWNBJMJQR-RHJCGQNESA-N 2 1 378.473 0.511 20 0 GCADMP Cc1cn([C@H]2C[C@H]([NH2+][C@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001172107785 1205713173 /nfs/dbraw/zinc/71/31/73/1205713173.db2.gz CFUHGTWNBJMJQR-RHJCGQNESA-N 2 1 378.473 0.511 20 0 GCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)C1 ZINC001172176981 1205714131 /nfs/dbraw/zinc/71/41/31/1205714131.db2.gz ZNWNRISAKHZPHK-ROUUACIJSA-N 2 1 392.544 0.642 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC2)C1 ZINC001172176981 1205714132 /nfs/dbraw/zinc/71/41/32/1205714132.db2.gz ZNWNRISAKHZPHK-ROUUACIJSA-N 2 1 392.544 0.642 20 0 GCADMP COCCC[NH+]1CCC([NH2+]Cc2ccnc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC001172249252 1205714851 /nfs/dbraw/zinc/71/48/51/1205714851.db2.gz ZSHCRADDRZTKAI-UHFFFAOYSA-N 2 1 396.557 0.907 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001172252154 1205715155 /nfs/dbraw/zinc/71/51/55/1205715155.db2.gz OYNFTZAPJZFXLS-GUDVDZBRSA-N 2 1 381.517 0.578 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)C[C@H]32)CC1 ZINC001172252154 1205715156 /nfs/dbraw/zinc/71/51/56/1205715156.db2.gz OYNFTZAPJZFXLS-GUDVDZBRSA-N 2 1 381.517 0.578 20 0 GCADMP CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251156 1205715291 /nfs/dbraw/zinc/71/52/91/1205715291.db2.gz LEVHZSBTKLMKKC-UYAOXDASSA-N 2 1 383.533 0.873 20 0 GCADMP CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251156 1205715293 /nfs/dbraw/zinc/71/52/93/1205715293.db2.gz LEVHZSBTKLMKKC-UYAOXDASSA-N 2 1 383.533 0.873 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001172251785 1205715380 /nfs/dbraw/zinc/71/53/80/1205715380.db2.gz JXQDZIBIPLXLEZ-XLIONFOSSA-N 2 1 383.533 0.541 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)CC1 ZINC001172251785 1205715381 /nfs/dbraw/zinc/71/53/81/1205715381.db2.gz JXQDZIBIPLXLEZ-XLIONFOSSA-N 2 1 383.533 0.541 20 0 GCADMP CC[N@H+]1CC[C@H](N(C[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363191 1205719865 /nfs/dbraw/zinc/71/98/65/1205719865.db2.gz JOBNSQROQAIGFH-AYBZRNKSSA-N 2 1 379.480 0.911 20 0 GCADMP COC(=O)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509065 1205722085 /nfs/dbraw/zinc/72/20/85/1205722085.db2.gz QFQKFIXVAYSQJT-ROUUACIJSA-N 2 1 377.485 0.737 20 0 GCADMP COC(=O)[C@@H]1C[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CCN1C(=O)c1ccccc1 ZINC001173494620 1205722621 /nfs/dbraw/zinc/72/26/21/1205722621.db2.gz BFGGAOANFNNROE-RYRKJORJSA-N 2 1 386.452 0.764 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755730 1205727439 /nfs/dbraw/zinc/72/74/39/1205727439.db2.gz WBDPUFVNZGNYHJ-BRSBDYLESA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755730 1205727441 /nfs/dbraw/zinc/72/74/41/1205727441.db2.gz WBDPUFVNZGNYHJ-BRSBDYLESA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755730 1205727442 /nfs/dbraw/zinc/72/74/42/1205727442.db2.gz WBDPUFVNZGNYHJ-BRSBDYLESA-N 2 1 391.520 0.268 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755944 1205727661 /nfs/dbraw/zinc/72/76/61/1205727661.db2.gz XEBJLZQKGYTGBD-KBPBESRZSA-N 2 1 388.476 0.495 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173763399 1205728059 /nfs/dbraw/zinc/72/80/59/1205728059.db2.gz REMPYLVGFGEMRV-IAGOWNOFSA-N 2 1 397.531 0.799 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173763399 1205728060 /nfs/dbraw/zinc/72/80/60/1205728060.db2.gz REMPYLVGFGEMRV-IAGOWNOFSA-N 2 1 397.531 0.799 20 0 GCADMP C[NH+]1CCN(CC(=O)N(Cc2cnc3n2CC[NH2+]CC3)c2ccccn2)CC1 ZINC001178948087 1205797455 /nfs/dbraw/zinc/79/74/55/1205797455.db2.gz FAQBQQSLUBQUOX-UHFFFAOYSA-N 2 1 383.500 0.204 20 0 GCADMP C[NH+]1CCN(CC(=O)N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001178948875 1205797522 /nfs/dbraw/zinc/79/75/22/1205797522.db2.gz PHEIOVIUYFAHFO-DNVCBOLYSA-N 2 1 377.464 0.322 20 0 GCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)NCCN3CCC[N@H+](C)CC3)CC2)CC1 ZINC001179015334 1205799674 /nfs/dbraw/zinc/79/96/74/1205799674.db2.gz WBHKTXKMRCYGBL-UHFFFAOYSA-N 2 1 393.576 0.463 20 0 GCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156796 1205803999 /nfs/dbraw/zinc/80/39/99/1205803999.db2.gz UHXRFCBVXQCMNT-LSDHHAIUSA-N 2 1 382.505 0.565 20 0 GCADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NC3(C[NH3+])COC3)C2)CC1 ZINC001179380882 1205809375 /nfs/dbraw/zinc/80/93/75/1205809375.db2.gz WIGBIQQBXFZKJW-HNNXBMFYSA-N 2 1 396.532 0.942 20 0 GCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[NH+]3C2)C1 ZINC001180761026 1205831584 /nfs/dbraw/zinc/83/15/84/1205831584.db2.gz SUCZQXDZEQRTCF-OWCLPIDISA-N 2 1 382.505 0.374 20 0 GCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[NH+]3C2)C1 ZINC001180761026 1205831586 /nfs/dbraw/zinc/83/15/86/1205831586.db2.gz SUCZQXDZEQRTCF-OWCLPIDISA-N 2 1 382.505 0.374 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)C1 ZINC001180761026 1205831589 /nfs/dbraw/zinc/83/15/89/1205831589.db2.gz SUCZQXDZEQRTCF-OWCLPIDISA-N 2 1 382.505 0.374 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)C1 ZINC001180761026 1205831591 /nfs/dbraw/zinc/83/15/91/1205831591.db2.gz SUCZQXDZEQRTCF-OWCLPIDISA-N 2 1 382.505 0.374 20 0 GCADMP [NH3+]CCN(CCNC(=O)C12CC(C1)CC[N@H+]2Cc1ccccc1)N(O)N=O ZINC001181495229 1205844986 /nfs/dbraw/zinc/84/49/86/1205844986.db2.gz QPTUOFULPIIMGE-UHFFFAOYSA-N 2 1 376.461 0.706 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978312 1205852478 /nfs/dbraw/zinc/85/24/78/1205852478.db2.gz NTPGLWBWKSRREU-YLJYHZDGSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978312 1205852479 /nfs/dbraw/zinc/85/24/79/1205852479.db2.gz NTPGLWBWKSRREU-YLJYHZDGSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C3)C2)C1 ZINC001181978312 1205852480 /nfs/dbraw/zinc/85/24/80/1205852480.db2.gz NTPGLWBWKSRREU-YLJYHZDGSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C(C)C)C3)C2)C1 ZINC001181978312 1205852481 /nfs/dbraw/zinc/85/24/81/1205852481.db2.gz NTPGLWBWKSRREU-YLJYHZDGSA-N 2 1 380.533 0.404 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)C1 ZINC001181975266 1205853245 /nfs/dbraw/zinc/85/32/45/1205853245.db2.gz BNDMWUAQYZPDBG-GOSISDBHSA-N 2 1 393.576 0.414 20 0 GCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001182032836 1205854072 /nfs/dbraw/zinc/85/40/72/1205854072.db2.gz UYCGZWHWTGPRQK-WMZOPIPTSA-N 2 1 377.460 0.946 20 0 GCADMP COC(=O)[C@]1(NC(=O)C2(O)CC[NH+](C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182035861 1205854167 /nfs/dbraw/zinc/85/41/67/1205854167.db2.gz HFAATRODXQNDCC-IBGZPJMESA-N 2 1 375.469 0.377 20 0 GCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001183669160 1205897327 /nfs/dbraw/zinc/89/73/27/1205897327.db2.gz BGYQKPHSEXUCPB-GOSISDBHSA-N 2 1 383.533 0.777 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[NH+]2C1 ZINC001185262300 1205920005 /nfs/dbraw/zinc/92/00/05/1205920005.db2.gz MEEMZPVRZVWWCR-IXDOHACOSA-N 2 1 395.548 0.290 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001185262300 1205920007 /nfs/dbraw/zinc/92/00/07/1205920007.db2.gz MEEMZPVRZVWWCR-IXDOHACOSA-N 2 1 395.548 0.290 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001185262300 1205920008 /nfs/dbraw/zinc/92/00/08/1205920008.db2.gz MEEMZPVRZVWWCR-IXDOHACOSA-N 2 1 395.548 0.290 20 0 GCADMP O=C(C[N@H+]1CC[C@@H](O)C1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001186036609 1205933169 /nfs/dbraw/zinc/93/31/69/1205933169.db2.gz BBCXWKALJZJYRB-QGZVFWFLSA-N 2 1 396.495 0.433 20 0 GCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001186036609 1205933171 /nfs/dbraw/zinc/93/31/71/1205933171.db2.gz BBCXWKALJZJYRB-QGZVFWFLSA-N 2 1 396.495 0.433 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045503 1205945296 /nfs/dbraw/zinc/94/52/96/1205945296.db2.gz UGEXVJSQWUPUIS-IPMKNSEASA-N 2 1 386.496 0.357 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839855 1205949070 /nfs/dbraw/zinc/94/90/70/1205949070.db2.gz MEZGFWBPYIGPLT-JKSUJKDBSA-N 2 1 384.521 0.548 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839855 1205949072 /nfs/dbraw/zinc/94/90/72/1205949072.db2.gz MEZGFWBPYIGPLT-JKSUJKDBSA-N 2 1 384.521 0.548 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850054 1205949515 /nfs/dbraw/zinc/94/95/15/1205949515.db2.gz UKHVCIKJUALUOZ-LSDHHAIUSA-N 2 1 382.505 0.694 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850054 1205949517 /nfs/dbraw/zinc/94/95/17/1205949517.db2.gz UKHVCIKJUALUOZ-LSDHHAIUSA-N 2 1 382.505 0.694 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000775434877 1206055328 /nfs/dbraw/zinc/05/53/28/1206055328.db2.gz JCIRYQFCPXPZNX-WMZOPIPTSA-N 2 1 396.532 0.909 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000775434877 1206055333 /nfs/dbraw/zinc/05/53/33/1206055333.db2.gz JCIRYQFCPXPZNX-WMZOPIPTSA-N 2 1 396.532 0.909 20 0 GCADMP Cn1nnc2c1CCN(c1ncnc3c1C[NH2+]C3)[C@@H]2COCC[NH+]1CCCC1 ZINC001164715907 720175439 /nfs/dbraw/zinc/17/54/39/720175439.db2.gz DHUKLUZZRZWAGX-QGZVFWFLSA-N 2 1 384.488 0.425 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164722321 720299324 /nfs/dbraw/zinc/29/93/24/720299324.db2.gz PUTGENAWOLEHFR-HXUWFJFHSA-N 2 1 375.517 0.808 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164722321 720299335 /nfs/dbraw/zinc/29/93/35/720299335.db2.gz PUTGENAWOLEHFR-HXUWFJFHSA-N 2 1 375.517 0.808 20 0 GCADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001164732973 720522106 /nfs/dbraw/zinc/52/21/06/720522106.db2.gz HYLCSRANVOLWQP-HNNXBMFYSA-N 2 1 398.515 0.311 20 0 GCADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc3c(c(N4CCOCC4)n2)C[NH2+]C3)C1 ZINC001164732982 720522399 /nfs/dbraw/zinc/52/23/99/720522399.db2.gz HYLCSRANVOLWQP-OAHLLOKOSA-N 2 1 398.515 0.311 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164741545 720609912 /nfs/dbraw/zinc/60/99/12/720609912.db2.gz LLPXPWGTRADVRZ-STQMWFEESA-N 2 1 387.875 0.908 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164744392 720637662 /nfs/dbraw/zinc/63/76/62/720637662.db2.gz RZFPYQWDJCYUPZ-QWHCGFSZSA-N 2 1 387.875 0.908 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164746654 720789954 /nfs/dbraw/zinc/78/99/54/720789954.db2.gz MGAPQWVKNYBJLM-IRXDYDNUSA-N 2 1 396.499 0.360 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164746654 720789966 /nfs/dbraw/zinc/78/99/66/720789966.db2.gz MGAPQWVKNYBJLM-IRXDYDNUSA-N 2 1 396.499 0.360 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]2C1 ZINC001164850923 720840195 /nfs/dbraw/zinc/84/01/95/720840195.db2.gz FOTMSFXNFMQFSG-CJNGLKHVSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164848695 720841104 /nfs/dbraw/zinc/84/11/04/720841104.db2.gz AWOCVEMXRKKPIE-DLBZAZTESA-N 2 1 376.505 0.060 20 0 GCADMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264498 945485090 /nfs/dbraw/zinc/48/50/90/945485090.db2.gz QECVMIMIPHWCLO-GJZGRUSLSA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264498 945485097 /nfs/dbraw/zinc/48/50/97/945485097.db2.gz QECVMIMIPHWCLO-GJZGRUSLSA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264498 945485104 /nfs/dbraw/zinc/48/51/04/945485104.db2.gz QECVMIMIPHWCLO-GJZGRUSLSA-N 2 1 385.472 0.518 20 0 GCADMP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361052 948126650 /nfs/dbraw/zinc/12/66/50/948126650.db2.gz JLENYBZFZINDFM-QGZVFWFLSA-N 2 1 382.472 0.814 20 0 GCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263827 949411344 /nfs/dbraw/zinc/41/13/44/949411344.db2.gz JZJBXQNYNVMVDY-CHWSQXEVSA-N 2 1 387.463 0.894 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191379 950192614 /nfs/dbraw/zinc/19/26/14/950192614.db2.gz FQLLENIFBPHMTR-WMLDXEAASA-N 2 1 387.488 0.117 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192112 950228763 /nfs/dbraw/zinc/22/87/63/950228763.db2.gz JUJAXDLPWJGWQT-HOCLYGCPSA-N 2 1 387.488 0.117 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197393 950390987 /nfs/dbraw/zinc/39/09/87/950390987.db2.gz MVODMEDJMXZGPE-CABCVRRESA-N 2 1 384.488 0.676 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197394 950393452 /nfs/dbraw/zinc/39/34/52/950393452.db2.gz MVODMEDJMXZGPE-GJZGRUSLSA-N 2 1 384.488 0.676 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204884 950483308 /nfs/dbraw/zinc/48/33/08/950483308.db2.gz DFZKOAFHOOBPSZ-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207730 950600406 /nfs/dbraw/zinc/60/04/06/950600406.db2.gz IXHGZZYPESUENJ-ZDUSSCGKSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207730 950600422 /nfs/dbraw/zinc/60/04/22/950600422.db2.gz IXHGZZYPESUENJ-ZDUSSCGKSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576207730 950600437 /nfs/dbraw/zinc/60/04/37/950600437.db2.gz IXHGZZYPESUENJ-ZDUSSCGKSA-N 2 1 375.452 0.896 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CC[NH+](CC(=O)[O-])CC3)CC2)CC1 ZINC001589741712 950611542 /nfs/dbraw/zinc/61/15/42/950611542.db2.gz WBWYQEKPEDYBBQ-UHFFFAOYSA-N 2 1 380.533 0.848 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216134 950723774 /nfs/dbraw/zinc/72/37/74/950723774.db2.gz YRJASHDCTMTYCR-CKNFYHOISA-N 2 1 381.484 0.755 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216134 950723784 /nfs/dbraw/zinc/72/37/84/950723784.db2.gz YRJASHDCTMTYCR-CKNFYHOISA-N 2 1 381.484 0.755 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)C[C@H]32)C1 ZINC001576216134 950723797 /nfs/dbraw/zinc/72/37/97/950723797.db2.gz YRJASHDCTMTYCR-CKNFYHOISA-N 2 1 381.484 0.755 20 0 GCADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574772629 950974436 /nfs/dbraw/zinc/97/44/36/950974436.db2.gz SZYJTFUISYMVKA-QWHCGFSZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574772629 950974450 /nfs/dbraw/zinc/97/44/50/950974450.db2.gz SZYJTFUISYMVKA-QWHCGFSZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574772629 950974467 /nfs/dbraw/zinc/97/44/67/950974467.db2.gz SZYJTFUISYMVKA-QWHCGFSZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078046 951677186 /nfs/dbraw/zinc/67/71/86/951677186.db2.gz JNEPOKVFUQKJJW-OCCSQVGLSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079729 951695790 /nfs/dbraw/zinc/69/57/90/951695790.db2.gz GAXPGSASECGBKR-MLGOLLRUSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079725 951695845 /nfs/dbraw/zinc/69/58/45/951695845.db2.gz GAXPGSASECGBKR-BLLLJJGKSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089068 951745421 /nfs/dbraw/zinc/74/54/21/951745421.db2.gz CYGDKXSYRKDIRP-SWLSCSKDSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089070 951745914 /nfs/dbraw/zinc/74/59/14/951745914.db2.gz CYGDKXSYRKDIRP-WFASDCNBSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001575094262 951801681 /nfs/dbraw/zinc/80/16/81/951801681.db2.gz MJSPWCZMBBJIGT-HNNXBMFYSA-N 2 1 387.488 0.526 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120195 952500749 /nfs/dbraw/zinc/50/07/49/952500749.db2.gz JFBTZYVWKCRCBL-CPCZMJQVSA-N 2 1 375.502 0.864 20 0 GCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571189333 952928183 /nfs/dbraw/zinc/92/81/83/952928183.db2.gz VELKMMOWNSHSMA-AWEZNQCLSA-N 2 1 381.444 0.458 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571211759 953080285 /nfs/dbraw/zinc/08/02/85/953080285.db2.gz FGKCMISOGALTJK-WQVCFCJDSA-N 2 1 382.472 0.687 20 0 GCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571241517 953247213 /nfs/dbraw/zinc/24/72/13/953247213.db2.gz BVGUIYBCXIKFCU-OAHLLOKOSA-N 2 1 384.419 0.901 20 0 GCADMP Cc1cc(NC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252363 953327873 /nfs/dbraw/zinc/32/78/73/953327873.db2.gz LNWSRGXYBFGYMB-KRWDZBQOSA-N 2 1 384.488 0.879 20 0 GCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252620 953330394 /nfs/dbraw/zinc/33/03/94/953330394.db2.gz RQPAOVNNHARQFT-XYPHTWIQSA-N 2 1 384.488 0.817 20 0 GCADMP C[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001571252589 953331023 /nfs/dbraw/zinc/33/10/23/953331023.db2.gz QNWPTHOISVEIBZ-CZUORRHYSA-N 2 1 384.488 0.935 20 0 GCADMP C[NH+](CC(=O)NCCCNC(=O)C[N@H+](C)[C@H]1CCSC1)[C@H]1CCSC1 ZINC000583398209 530269628 /nfs/dbraw/zinc/26/96/28/530269628.db2.gz GHWPMCLGZHTXSJ-GJZGRUSLSA-N 2 1 388.603 0.484 20 0 GCADMP CN(C)S(=O)(=O)NCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000628274739 530315291 /nfs/dbraw/zinc/31/52/91/530315291.db2.gz KPPMIIRLBZKQCK-UHFFFAOYSA-N 2 1 389.953 0.577 20 0 GCADMP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736011 530322687 /nfs/dbraw/zinc/32/26/87/530322687.db2.gz CNCRIPNRKPLSJS-GFCCVEGCSA-N 2 1 398.305 0.912 20 0 GCADMP O=S(=O)(c1cccc2nsnc21)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000576929419 530613452 /nfs/dbraw/zinc/61/34/52/530613452.db2.gz WDFAGDPCKRMBSI-CYBMUJFWSA-N 2 1 381.527 0.997 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC(=O)OC ZINC000470764006 530696128 /nfs/dbraw/zinc/69/61/28/530696128.db2.gz DUAWMDTYCCHJDL-OAHLLOKOSA-N 2 1 378.539 0.074 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000656375578 530840889 /nfs/dbraw/zinc/84/08/89/530840889.db2.gz ZJMLTRFSWXYGIQ-ZDUSSCGKSA-N 2 1 393.535 0.286 20 0 GCADMP NS(=O)(=O)c1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000507030050 531063132 /nfs/dbraw/zinc/06/31/32/531063132.db2.gz NOZYKOGVFBUFOO-UHFFFAOYSA-N 2 1 382.515 0.810 20 0 GCADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000321416900 531107783 /nfs/dbraw/zinc/10/77/83/531107783.db2.gz RYLLQSSZEAAURT-UHFFFAOYSA-N 2 1 380.290 0.794 20 0 GCADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000738450099 598838075 /nfs/dbraw/zinc/83/80/75/598838075.db2.gz OBNVWRRPPLXVSX-UKRRQHHQSA-N 2 1 387.492 0.338 20 0 GCADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826073281 608020135 /nfs/dbraw/zinc/02/01/35/608020135.db2.gz MNUVCSGYLMDHMZ-TUAOUCFPSA-N 2 1 375.481 0.942 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H](O)c2cc(Br)no2)CC1 ZINC000878230915 641591821 /nfs/dbraw/zinc/59/18/21/641591821.db2.gz ZSCOAVBPPMJQKN-LBPRGKRZSA-N 2 1 389.294 0.860 20 0 GCADMP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925813693 641918911 /nfs/dbraw/zinc/91/89/11/641918911.db2.gz VQUILEUOUWQJCR-GDBMZVCRSA-N 2 1 387.527 0.889 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCSC1 ZINC000929464938 641959429 /nfs/dbraw/zinc/95/94/29/641959429.db2.gz RAUBUBBBYZDAKU-ZQIUZPCESA-N 2 1 386.587 0.236 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@@H]23)CCSC1 ZINC000929464938 641959432 /nfs/dbraw/zinc/95/94/32/641959432.db2.gz RAUBUBBBYZDAKU-ZQIUZPCESA-N 2 1 386.587 0.236 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662973340 1192174815 /nfs/dbraw/zinc/17/48/15/1192174815.db2.gz VZTDVPUDFQBOOT-SIKLNZKXSA-N 2 1 384.524 0.974 20 0 GCADMP C[C@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH+](C)CC1 ZINC000663020405 1192186874 /nfs/dbraw/zinc/18/68/74/1192186874.db2.gz WZGRHGRMLJIQJG-IAGOWNOFSA-N 2 1 389.548 0.161 20 0 GCADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(=O)N1CCCCC1 ZINC000652347719 1192198664 /nfs/dbraw/zinc/19/86/64/1192198664.db2.gz KAOWERTXBFDBMF-WNRNVDISSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652354153 1192202825 /nfs/dbraw/zinc/20/28/25/1192202825.db2.gz OGGJUDAFDCRRBQ-QAPCUYQASA-N 2 1 396.557 0.832 20 0 GCADMP C[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354152 1192203014 /nfs/dbraw/zinc/20/30/14/1192203014.db2.gz OGGJUDAFDCRRBQ-MAUKXSAKSA-N 2 1 396.557 0.832 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000663085049 1192207948 /nfs/dbraw/zinc/20/79/48/1192207948.db2.gz HBXVFZQEJSRDPM-SUMWQHHRSA-N 2 1 396.463 0.540 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000663085049 1192207952 /nfs/dbraw/zinc/20/79/52/1192207952.db2.gz HBXVFZQEJSRDPM-SUMWQHHRSA-N 2 1 396.463 0.540 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)[C@@H](Cc2ccccc2)C1 ZINC000652527852 1192235783 /nfs/dbraw/zinc/23/57/83/1192235783.db2.gz BVRKJVODGDTCPO-UGKGYDQZSA-N 2 1 384.524 0.926 20 0 GCADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)cc1 ZINC000636702842 1192272464 /nfs/dbraw/zinc/27/24/64/1192272464.db2.gz ZUBPGDSTGAIDTN-RTBURBONSA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702842 1192272465 /nfs/dbraw/zinc/27/24/65/1192272465.db2.gz ZUBPGDSTGAIDTN-RTBURBONSA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702842 1192272467 /nfs/dbraw/zinc/27/24/67/1192272467.db2.gz ZUBPGDSTGAIDTN-RTBURBONSA-N 2 1 387.528 0.048 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290353 1192278124 /nfs/dbraw/zinc/27/81/24/1192278124.db2.gz QVKOQZVNDWXLGK-HNNXBMFYSA-N 2 1 380.514 0.984 20 0 GCADMP C[NH+]1CCN(C[C@@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)c2ccccc2)CC1 ZINC000636719345 1192282888 /nfs/dbraw/zinc/28/28/88/1192282888.db2.gz QJDAUZVDSRWJEI-RBUKOAKNSA-N 2 1 375.517 0.341 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCc1cccnc1 ZINC000662337196 1192284646 /nfs/dbraw/zinc/28/46/46/1192284646.db2.gz JUPNGQSPDZDNKN-KRWDZBQOSA-N 2 1 383.500 0.710 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCc1cccnc1 ZINC000662337196 1192284649 /nfs/dbraw/zinc/28/46/49/1192284649.db2.gz JUPNGQSPDZDNKN-KRWDZBQOSA-N 2 1 383.500 0.710 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000563092764 1192321361 /nfs/dbraw/zinc/32/13/61/1192321361.db2.gz KRQRZGBILBIOSM-CALCHBBNSA-N 2 1 377.537 0.648 20 0 GCADMP Cc1c(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)nnn1C1CC[NH2+]CC1 ZINC000662705708 1192330194 /nfs/dbraw/zinc/33/01/94/1192330194.db2.gz ROBHJQZOATXDMH-IAGOWNOFSA-N 2 1 388.516 0.884 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514543 1192371603 /nfs/dbraw/zinc/37/16/03/1192371603.db2.gz ZQCHZTLCZUKJFF-SJORKVTESA-N 3 1 389.548 0.196 20 0 GCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663562302 1192390930 /nfs/dbraw/zinc/39/09/30/1192390930.db2.gz YULPGQPDXAYSCE-OALUTQOASA-N 2 1 381.565 0.811 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000365337752 1192417135 /nfs/dbraw/zinc/41/71/35/1192417135.db2.gz QIQZXNDSDCYGDT-RTBURBONSA-N 2 1 381.565 0.765 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCOCC1 ZINC000365337752 1192417138 /nfs/dbraw/zinc/41/71/38/1192417138.db2.gz QIQZXNDSDCYGDT-RTBURBONSA-N 2 1 381.565 0.765 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652673309 1192429417 /nfs/dbraw/zinc/42/94/17/1192429417.db2.gz KUZWIADWCUDSLE-BCYZHJNNSA-N 2 1 394.560 0.968 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000512093763 1192440481 /nfs/dbraw/zinc/44/04/81/1192440481.db2.gz CKCZGLYOWHLAMY-SFHVURJKSA-N 2 1 386.500 0.780 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000981638308 1192456702 /nfs/dbraw/zinc/45/67/02/1192456702.db2.gz LVEGCLPMDBEDOJ-CYGHRXIMSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000981638308 1192456703 /nfs/dbraw/zinc/45/67/03/1192456703.db2.gz LVEGCLPMDBEDOJ-CYGHRXIMSA-N 2 1 380.533 0.448 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000187308255 1192523484 /nfs/dbraw/zinc/52/34/84/1192523484.db2.gz LHBBIJZSQUJDHE-MSOLQXFVSA-N 2 1 383.581 0.745 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000637477407 1192590754 /nfs/dbraw/zinc/59/07/54/1192590754.db2.gz UAEUXESSJVGTKM-ROUUACIJSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637477407 1192590759 /nfs/dbraw/zinc/59/07/59/1192590759.db2.gz UAEUXESSJVGTKM-ROUUACIJSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637477407 1192590762 /nfs/dbraw/zinc/59/07/62/1192590762.db2.gz UAEUXESSJVGTKM-ROUUACIJSA-N 2 1 377.533 0.951 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000512324517 1192604374 /nfs/dbraw/zinc/60/43/74/1192604374.db2.gz UOZIYSFJLOCBSL-SFHVURJKSA-N 2 1 396.557 0.963 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418752057 1192639076 /nfs/dbraw/zinc/63/90/76/1192639076.db2.gz BEGAKENUPDOHRB-HXUWFJFHSA-N 2 1 388.560 0.349 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000418764578 1192640309 /nfs/dbraw/zinc/64/03/09/1192640309.db2.gz KTOJSMOISALRCE-IBGZPJMESA-N 2 1 375.517 0.434 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418767893 1192641050 /nfs/dbraw/zinc/64/10/50/1192641050.db2.gz RGRCBGUYXKTRHD-CQSZACIVSA-N 2 1 381.443 0.186 20 0 GCADMP [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418823556 1192656204 /nfs/dbraw/zinc/65/62/04/1192656204.db2.gz CCUXOENPBVWFEQ-KRWDZBQOSA-N 2 1 380.533 0.725 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822519 1192656242 /nfs/dbraw/zinc/65/62/42/1192656242.db2.gz ASXCQTXYEDGBPQ-KRWDZBQOSA-N 2 1 382.549 0.970 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000418827317 1192657858 /nfs/dbraw/zinc/65/78/58/1192657858.db2.gz DNPWHBJJYKSCKE-SOUVJXGZSA-N 2 1 378.473 0.762 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418831259 1192659019 /nfs/dbraw/zinc/65/90/19/1192659019.db2.gz KSSCFEKNEHHOGO-UHFFFAOYSA-N 2 1 394.560 0.986 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccco1 ZINC000418836207 1192660530 /nfs/dbraw/zinc/66/05/30/1192660530.db2.gz QUKRJLODPJCEPC-LZLYRXPVSA-N 2 1 392.500 0.743 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000418851392 1192666249 /nfs/dbraw/zinc/66/62/49/1192666249.db2.gz PQYFSZFADLPLLA-UZLBHIALSA-N 2 1 376.501 0.920 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000418848586 1192667746 /nfs/dbraw/zinc/66/77/46/1192667746.db2.gz LSEIEAOQUMRBLU-DKIMLUQUSA-N 2 1 388.512 1.000 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)cs1 ZINC000418856290 1192668154 /nfs/dbraw/zinc/66/81/54/1192668154.db2.gz OUOPWOGMHUJXAO-INIZCTEOSA-N 2 1 393.557 0.887 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NCC(C)(C)[NH3+])CC2)cs1 ZINC000418859674 1192670634 /nfs/dbraw/zinc/67/06/34/1192670634.db2.gz YNMAASYZSSVSMK-UHFFFAOYSA-N 2 1 381.546 0.887 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418874816 1192673907 /nfs/dbraw/zinc/67/39/07/1192673907.db2.gz CJFGWAGXSHHECQ-ZWKOTPCHSA-N 2 1 376.501 0.359 20 0 GCADMP C[C@@]1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCC[NH2+]C1 ZINC000418880476 1192677695 /nfs/dbraw/zinc/67/76/95/1192677695.db2.gz PJSAEZIAISAONB-GHTZIAJQSA-N 2 1 388.512 0.375 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCCO1 ZINC000418884206 1192678800 /nfs/dbraw/zinc/67/88/00/1192678800.db2.gz WKZJOJUJVLICDS-QGZVFWFLSA-N 2 1 376.501 0.591 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418875656 1192675725 /nfs/dbraw/zinc/67/57/25/1192675725.db2.gz DRXGNLNWNHZEHW-SNRMKQJTSA-N 2 1 388.512 0.503 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418876863 1192676238 /nfs/dbraw/zinc/67/62/38/1192676238.db2.gz HCZHOLILQUNMAS-CEXWTWQISA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@H]1C[NH3+] ZINC000418877804 1192676380 /nfs/dbraw/zinc/67/63/80/1192676380.db2.gz KJNYNXIUWGHEKY-LZQZEXGQSA-N 2 1 388.512 0.313 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943405 1192696571 /nfs/dbraw/zinc/69/65/71/1192696571.db2.gz BRPNYBHWHNNGIE-GDBMZVCRSA-N 2 1 392.500 0.509 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943405 1192696574 /nfs/dbraw/zinc/69/65/74/1192696574.db2.gz BRPNYBHWHNNGIE-GDBMZVCRSA-N 2 1 392.500 0.509 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418962609 1192702998 /nfs/dbraw/zinc/70/29/98/1192702998.db2.gz KVFNDDXERNSEHS-HNNXBMFYSA-N 2 1 378.473 0.120 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418962609 1192703002 /nfs/dbraw/zinc/70/30/02/1192703002.db2.gz KVFNDDXERNSEHS-HNNXBMFYSA-N 2 1 378.473 0.120 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963745 1192703497 /nfs/dbraw/zinc/70/34/97/1192703497.db2.gz MLNNYNDSTCMGAJ-JKSUJKDBSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963745 1192703500 /nfs/dbraw/zinc/70/35/00/1192703500.db2.gz MLNNYNDSTCMGAJ-JKSUJKDBSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971551 1192706024 /nfs/dbraw/zinc/70/60/24/1192706024.db2.gz YCDNQCKRPDNGEJ-HZPDHXFCSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971551 1192706029 /nfs/dbraw/zinc/70/60/29/1192706029.db2.gz YCDNQCKRPDNGEJ-HZPDHXFCSA-N 2 1 390.484 0.344 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000112906146 1192719096 /nfs/dbraw/zinc/71/90/96/1192719096.db2.gz VCYVCVSNZXEKMT-SJORKVTESA-N 2 1 380.533 0.234 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000112906146 1192719103 /nfs/dbraw/zinc/71/91/03/1192719103.db2.gz VCYVCVSNZXEKMT-SJORKVTESA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000410584211 1192729133 /nfs/dbraw/zinc/72/91/33/1192729133.db2.gz LEBZTGCDWBWWCE-LMMKCTJWSA-N 2 1 391.560 0.308 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000419034488 1192733361 /nfs/dbraw/zinc/73/33/61/1192733361.db2.gz ZTFYADGTZOYPLU-UHFFFAOYSA-N 2 1 377.420 0.288 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419033476 1192731846 /nfs/dbraw/zinc/73/18/46/1192731846.db2.gz CKPVVUAWVLHPAX-DYVFJYSZSA-N 2 1 388.516 0.764 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000419041118 1192739272 /nfs/dbraw/zinc/73/92/72/1192739272.db2.gz NFXYJAUJWAERQJ-XWTMOSNGSA-N 2 1 382.549 0.873 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)nc(C)[nH+]1 ZINC000419040107 1192737477 /nfs/dbraw/zinc/73/74/77/1192737477.db2.gz LXRRNSAQCGLHBG-KRWDZBQOSA-N 2 1 388.516 0.812 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000419044363 1192738033 /nfs/dbraw/zinc/73/80/33/1192738033.db2.gz TWPKGAIIFXAXQC-XSLAGTTESA-N 2 1 382.549 0.825 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000419043786 1192738601 /nfs/dbraw/zinc/73/86/01/1192738601.db2.gz RSQAUYZOTIWVEC-RHSMWYFYSA-N 2 1 388.516 0.907 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000419045609 1192739944 /nfs/dbraw/zinc/73/99/44/1192739944.db2.gz WRJOLNXSRPYDND-XSLAGTTESA-N 2 1 382.549 0.825 20 0 GCADMP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000419057968 1192751169 /nfs/dbraw/zinc/75/11/69/1192751169.db2.gz BCRMLISHJFPFHY-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419056226 1192753008 /nfs/dbraw/zinc/75/30/08/1192753008.db2.gz LAACTECIGGRZNY-CGTJXYLNSA-N 2 1 376.501 0.351 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419057202 1192753688 /nfs/dbraw/zinc/75/36/88/1192753688.db2.gz NLAIEHLGWBLVHZ-CEXWTWQISA-N 2 1 388.512 0.493 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419064438 1192759485 /nfs/dbraw/zinc/75/94/85/1192759485.db2.gz CLODCEPKOOQCOF-INIZCTEOSA-N 2 1 376.501 0.591 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419064438 1192759489 /nfs/dbraw/zinc/75/94/89/1192759489.db2.gz CLODCEPKOOQCOF-INIZCTEOSA-N 2 1 376.501 0.591 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419076850 1192770899 /nfs/dbraw/zinc/77/08/99/1192770899.db2.gz QHXHSOGNCYEKTJ-VQIMIIECSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419076850 1192770906 /nfs/dbraw/zinc/77/09/06/1192770906.db2.gz QHXHSOGNCYEKTJ-VQIMIIECSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C[C@H](C)[NH2+]1 ZINC000419078551 1192775093 /nfs/dbraw/zinc/77/50/93/1192775093.db2.gz SUNGQZSCMJTMNU-BBWFWOEESA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C[C@H](C)[NH2+]1 ZINC000419078551 1192775098 /nfs/dbraw/zinc/77/50/98/1192775098.db2.gz SUNGQZSCMJTMNU-BBWFWOEESA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419077775 1192775756 /nfs/dbraw/zinc/77/57/56/1192775756.db2.gz JRUABXYVGFMGES-SJORKVTESA-N 2 1 391.520 0.281 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419077772 1192775784 /nfs/dbraw/zinc/77/57/84/1192775784.db2.gz JRUABXYVGFMGES-DLBZAZTESA-N 2 1 391.520 0.281 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078355 1192776005 /nfs/dbraw/zinc/77/60/05/1192776005.db2.gz SOROXBLMEGPNKF-MDZRGWNJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078355 1192776008 /nfs/dbraw/zinc/77/60/08/1192776008.db2.gz SOROXBLMEGPNKF-MDZRGWNJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)c2)CCO1 ZINC000419079002 1192776371 /nfs/dbraw/zinc/77/63/71/1192776371.db2.gz UAXABSLPEUBEPD-MRXNPFEDSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)c2)CCO1 ZINC000419079002 1192776375 /nfs/dbraw/zinc/77/63/75/1192776375.db2.gz UAXABSLPEUBEPD-MRXNPFEDSA-N 2 1 388.512 0.734 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419081603 1192777739 /nfs/dbraw/zinc/77/77/39/1192777739.db2.gz IGIKGAVPIWCMML-HOTGVXAUSA-N 2 1 382.549 0.839 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419081606 1192778164 /nfs/dbraw/zinc/77/81/64/1192778164.db2.gz IGIKGAVPIWCMML-HZPDHXFCSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000419127603 1192797720 /nfs/dbraw/zinc/79/77/20/1192797720.db2.gz RNUUGEMEHARLFA-LJQANCHMSA-N 2 1 389.544 0.362 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000419120355 1192793467 /nfs/dbraw/zinc/79/34/67/1192793467.db2.gz QFEGLDFPGIKIBR-SFHVURJKSA-N 2 1 394.560 0.842 20 0 GCADMP CCCN(C(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419123061 1192795510 /nfs/dbraw/zinc/79/55/10/1192795510.db2.gz UYDLUCGPFRHLKM-ZWKOTPCHSA-N 2 1 382.549 0.840 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419111154 1192798546 /nfs/dbraw/zinc/79/85/46/1192798546.db2.gz CWOGDIXQXXAOMP-SJLPKXTDSA-N 2 1 382.549 0.827 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCN(C)CC1 ZINC000419129930 1192804705 /nfs/dbraw/zinc/80/47/05/1192804705.db2.gz YZTRBHSISTVFDW-GOSISDBHSA-N 2 1 393.576 0.367 20 0 GCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419131563 1192805632 /nfs/dbraw/zinc/80/56/32/1192805632.db2.gz ALFMJVNBUDNZQC-OALUTQOASA-N 2 1 388.512 0.734 20 0 GCADMP Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)[nH+]1 ZINC000419136728 1192809710 /nfs/dbraw/zinc/80/97/10/1192809710.db2.gz PNWKVRGXCMLSNM-GDBMZVCRSA-N 2 1 389.500 0.704 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419150663 1192810782 /nfs/dbraw/zinc/81/07/82/1192810782.db2.gz MTWAZRBOLBYXST-HRCADAONSA-N 2 1 376.526 0.754 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000419153921 1192811881 /nfs/dbraw/zinc/81/18/81/1192811881.db2.gz QHUBVASZYXBLMO-ZYSHUDEJSA-N 2 1 386.496 0.610 20 0 GCADMP O=C1[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1c1ccc(F)cc1 ZINC000419141039 1192812251 /nfs/dbraw/zinc/81/22/51/1192812251.db2.gz KGJUTQHOTFYLIP-LJQANCHMSA-N 2 1 378.492 0.911 20 0 GCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419166577 1192822501 /nfs/dbraw/zinc/82/25/01/1192822501.db2.gz HMINNAYVKIXZKO-IAGOWNOFSA-N 2 1 395.548 0.071 20 0 GCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419165300 1192822803 /nfs/dbraw/zinc/82/28/03/1192822803.db2.gz NILSWADMZLPTFD-HKUYNNGSSA-N 2 1 388.512 0.510 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419169669 1192825089 /nfs/dbraw/zinc/82/50/89/1192825089.db2.gz VALZIDQFFPTVHT-MSOLQXFVSA-N 2 1 376.501 0.493 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168828 1192830548 /nfs/dbraw/zinc/83/05/48/1192830548.db2.gz TUOMQLXVEAAEHJ-QRQLOZEOSA-N 2 1 388.512 0.589 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181047 1192833303 /nfs/dbraw/zinc/83/33/03/1192833303.db2.gz KLOLVNHWCZUCRF-QZTJIDSGSA-N 2 1 393.576 0.509 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1(C)C ZINC000419180928 1192834002 /nfs/dbraw/zinc/83/40/02/1192834002.db2.gz KCACLQVERYCXLU-UHFFFAOYSA-N 2 1 381.565 0.557 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419197164 1192836538 /nfs/dbraw/zinc/83/65/38/1192836538.db2.gz XSOJDGXLBFSLAH-APWZRJJASA-N 2 1 388.512 0.863 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)CCC(F)(F)F ZINC000419200281 1192839563 /nfs/dbraw/zinc/83/95/63/1192839563.db2.gz DZBPVYBXRRDNGE-NEPJUHHUSA-N 2 1 382.427 0.606 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)CCC(F)(F)F ZINC000419200281 1192839566 /nfs/dbraw/zinc/83/95/66/1192839566.db2.gz DZBPVYBXRRDNGE-NEPJUHHUSA-N 2 1 382.427 0.606 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)CCC(F)(F)F ZINC000419200283 1192839719 /nfs/dbraw/zinc/83/97/19/1192839719.db2.gz DZBPVYBXRRDNGE-RYUDHWBXSA-N 2 1 382.427 0.606 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)CCC(F)(F)F ZINC000419200283 1192839726 /nfs/dbraw/zinc/83/97/26/1192839726.db2.gz DZBPVYBXRRDNGE-RYUDHWBXSA-N 2 1 382.427 0.606 20 0 GCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410701438 1192842190 /nfs/dbraw/zinc/84/21/90/1192842190.db2.gz MKOHMNZLNNQUEN-DLBZAZTESA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410701438 1192842197 /nfs/dbraw/zinc/84/21/97/1192842197.db2.gz MKOHMNZLNNQUEN-DLBZAZTESA-N 2 1 382.549 0.887 20 0 GCADMP CN1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+](C)CC1 ZINC000893915163 1192876937 /nfs/dbraw/zinc/87/69/37/1192876937.db2.gz WLYZENSETODVGO-UHFFFAOYSA-N 2 1 378.521 0.411 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332798262 1192902888 /nfs/dbraw/zinc/90/28/88/1192902888.db2.gz NEPUUJSKPJFWLG-XMTFNYHQSA-N 2 1 378.517 0.489 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332798262 1192902889 /nfs/dbraw/zinc/90/28/89/1192902889.db2.gz NEPUUJSKPJFWLG-XMTFNYHQSA-N 2 1 378.517 0.489 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332798262 1192902891 /nfs/dbraw/zinc/90/28/91/1192902891.db2.gz NEPUUJSKPJFWLG-XMTFNYHQSA-N 2 1 378.517 0.489 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419214110 1192907325 /nfs/dbraw/zinc/90/73/25/1192907325.db2.gz MGQQKPIMLRLYRA-INIZCTEOSA-N 2 1 376.501 0.314 20 0 GCADMP COc1ccc(COC[C@@H](O)CN2CCN(C(=O)CN(C)C)CC2)cc1OC ZINC000051760435 1192908248 /nfs/dbraw/zinc/90/82/48/1192908248.db2.gz MEMZKSRBWASICE-KRWDZBQOSA-N 2 1 395.500 0.287 20 0 GCADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000410846507 1192909736 /nfs/dbraw/zinc/90/97/36/1192909736.db2.gz TYZJXHPDIXOXMM-MOPGFXCFSA-N 2 1 392.544 0.357 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000410846507 1192909740 /nfs/dbraw/zinc/90/97/40/1192909740.db2.gz TYZJXHPDIXOXMM-MOPGFXCFSA-N 2 1 392.544 0.357 20 0 GCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000410854999 1192910996 /nfs/dbraw/zinc/91/09/96/1192910996.db2.gz VGLPWRDODQTOHS-FHWLQOOXSA-N 2 1 393.576 0.414 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410989905 1192922669 /nfs/dbraw/zinc/92/26/69/1192922669.db2.gz SDKBTFBZVHJJNS-AEFFLSMTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410989905 1192922671 /nfs/dbraw/zinc/92/26/71/1192922671.db2.gz SDKBTFBZVHJJNS-AEFFLSMTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000410989905 1192922672 /nfs/dbraw/zinc/92/26/72/1192922672.db2.gz SDKBTFBZVHJJNS-AEFFLSMTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000410989905 1192922674 /nfs/dbraw/zinc/92/26/74/1192922674.db2.gz SDKBTFBZVHJJNS-AEFFLSMTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410989905 1192922675 /nfs/dbraw/zinc/92/26/75/1192922675.db2.gz SDKBTFBZVHJJNS-AEFFLSMTSA-N 2 1 379.549 0.023 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694028 1184093042 /nfs/dbraw/zinc/09/30/42/1184093042.db2.gz VEIFMNPWKWLATK-UXPWSPDFSA-N 2 1 399.539 0.954 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694028 1184093048 /nfs/dbraw/zinc/09/30/48/1184093048.db2.gz VEIFMNPWKWLATK-UXPWSPDFSA-N 2 1 399.539 0.954 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000274546875 1184094424 /nfs/dbraw/zinc/09/44/24/1184094424.db2.gz TWJJMGQXWSJXJR-UHFFFAOYSA-N 2 1 391.516 0.197 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000654730175 1184109081 /nfs/dbraw/zinc/10/90/81/1184109081.db2.gz MNONUMVAQYVSNR-KZNAEPCWSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654730175 1184109089 /nfs/dbraw/zinc/10/90/89/1184109089.db2.gz MNONUMVAQYVSNR-KZNAEPCWSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654730175 1184109098 /nfs/dbraw/zinc/10/90/98/1184109098.db2.gz MNONUMVAQYVSNR-KZNAEPCWSA-N 2 1 377.533 0.951 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000274620996 1184124357 /nfs/dbraw/zinc/12/43/57/1184124357.db2.gz FTTSPASMNMWWQV-UHFFFAOYSA-N 2 1 391.560 0.938 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000643542263 1184125998 /nfs/dbraw/zinc/12/59/98/1184125998.db2.gz RTPLKGMOEWYGGU-BHIYHBOVSA-N 2 1 388.512 0.684 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000643542263 1184126000 /nfs/dbraw/zinc/12/60/00/1184126000.db2.gz RTPLKGMOEWYGGU-BHIYHBOVSA-N 2 1 388.512 0.684 20 0 GCADMP CC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1 ZINC000274639769 1184134049 /nfs/dbraw/zinc/13/40/49/1184134049.db2.gz TWZNCAZVXXYLQM-UHFFFAOYSA-N 2 1 377.489 0.892 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)O1 ZINC000616385807 1184204128 /nfs/dbraw/zinc/20/41/28/1184204128.db2.gz IFPNQZHVXALCPU-XLAORIBOSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)O1 ZINC000616385807 1184204136 /nfs/dbraw/zinc/20/41/36/1184204136.db2.gz IFPNQZHVXALCPU-XLAORIBOSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[N@H+]2C)O1 ZINC000616385807 1184204144 /nfs/dbraw/zinc/20/41/44/1184204144.db2.gz IFPNQZHVXALCPU-XLAORIBOSA-N 2 1 380.533 0.639 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000642693386 1184243764 /nfs/dbraw/zinc/24/37/64/1184243764.db2.gz WLROYNYUPQNKFK-VNHYZAJKSA-N 2 1 380.514 0.186 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000642693386 1184243771 /nfs/dbraw/zinc/24/37/71/1184243771.db2.gz WLROYNYUPQNKFK-VNHYZAJKSA-N 2 1 380.514 0.186 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@@H+]1C[C@@H](C)O ZINC001772505614 1184320285 /nfs/dbraw/zinc/32/02/85/1184320285.db2.gz ALDMINALDMXOFZ-GVDBMIGSSA-N 2 1 380.533 0.281 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@H+]1C[C@@H](C)O ZINC001772505614 1184320291 /nfs/dbraw/zinc/32/02/91/1184320291.db2.gz ALDMINALDMXOFZ-GVDBMIGSSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+](C2CC2)C1 ZINC000655557009 1184573523 /nfs/dbraw/zinc/57/35/23/1184573523.db2.gz ATLWMNBHXWWJNO-MSOLQXFVSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557009 1184573528 /nfs/dbraw/zinc/57/35/28/1184573528.db2.gz ATLWMNBHXWWJNO-MSOLQXFVSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557009 1184573534 /nfs/dbraw/zinc/57/35/34/1184573534.db2.gz ATLWMNBHXWWJNO-MSOLQXFVSA-N 2 1 379.549 0.519 20 0 GCADMP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)[NH+](C)C ZINC000471270817 1184600754 /nfs/dbraw/zinc/60/07/54/1184600754.db2.gz VRRRAUAQVHUWMY-LJQANCHMSA-N 2 1 381.565 0.269 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000121299345 1184709155 /nfs/dbraw/zinc/70/91/55/1184709155.db2.gz CVHIXUGHFDKFQF-WSTZPKSXSA-N 2 1 396.576 0.333 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000579928013 1184738738 /nfs/dbraw/zinc/73/87/38/1184738738.db2.gz QLKHWXLNNGJOFE-XDNAFOTISA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000579928013 1184738741 /nfs/dbraw/zinc/73/87/41/1184738741.db2.gz QLKHWXLNNGJOFE-XDNAFOTISA-N 2 1 380.533 0.639 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000646988691 1184777260 /nfs/dbraw/zinc/77/72/60/1184777260.db2.gz YJBSRJIANQUNET-QGZVFWFLSA-N 2 1 395.548 0.036 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000646988691 1184777267 /nfs/dbraw/zinc/77/72/67/1184777267.db2.gz YJBSRJIANQUNET-QGZVFWFLSA-N 2 1 395.548 0.036 20 0 GCADMP CCCN(C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647019544 1184786227 /nfs/dbraw/zinc/78/62/27/1184786227.db2.gz MPKLIUSRVWRHMT-LJQANCHMSA-N 3 1 393.576 0.604 20 0 GCADMP CCCN(C(=O)C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647060482 1184801918 /nfs/dbraw/zinc/80/19/18/1184801918.db2.gz AXZDYTXPGGMNOL-GOSISDBHSA-N 2 1 382.549 0.935 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837571 1184837991 /nfs/dbraw/zinc/83/79/91/1184837991.db2.gz VMTZWQZDZHJORJ-DLBZAZTESA-N 2 1 389.500 0.203 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637882 1184846076 /nfs/dbraw/zinc/84/60/76/1184846076.db2.gz MNZRMLQNYRYKOU-MSOLQXFVSA-N 2 1 389.500 0.442 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971122 1184907114 /nfs/dbraw/zinc/90/71/14/1184907114.db2.gz SXOYLUXNRMXEHQ-AIANPOQGSA-N 2 1 379.509 0.581 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000655971122 1184907118 /nfs/dbraw/zinc/90/71/18/1184907118.db2.gz SXOYLUXNRMXEHQ-AIANPOQGSA-N 2 1 379.509 0.581 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000642754572 1184907928 /nfs/dbraw/zinc/90/79/28/1184907928.db2.gz SYOBNMYCWODOPH-QWFCFKBJSA-N 2 1 399.539 0.524 20 0 GCADMP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000656029235 1184965512 /nfs/dbraw/zinc/96/55/12/1184965512.db2.gz XEPPJEKVWQZLOK-HCXYKTFWSA-N 2 1 392.544 0.864 20 0 GCADMP C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580053815 1185036450 /nfs/dbraw/zinc/03/64/50/1185036450.db2.gz URYFDTFPABACFS-WDSOQIARSA-N 2 1 375.517 0.560 20 0 GCADMP C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580053815 1185036458 /nfs/dbraw/zinc/03/64/58/1185036458.db2.gz URYFDTFPABACFS-WDSOQIARSA-N 2 1 375.517 0.560 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000580062611 1185039774 /nfs/dbraw/zinc/03/97/74/1185039774.db2.gz GWQKKADSTWDKAC-RDJZCZTQSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000580062611 1185039788 /nfs/dbraw/zinc/03/97/88/1185039788.db2.gz GWQKKADSTWDKAC-RDJZCZTQSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000580301701 1185144565 /nfs/dbraw/zinc/14/45/65/1185144565.db2.gz POUSKUMSHOVBSB-ROUUACIJSA-N 2 1 387.528 0.511 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818901 1185150135 /nfs/dbraw/zinc/15/01/35/1185150135.db2.gz FJRMVVWCNDEHOG-KRWDZBQOSA-N 2 1 389.500 0.599 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000580445360 1185233104 /nfs/dbraw/zinc/23/31/04/1185233104.db2.gz UVRROIAHXHDCGY-JKSUJKDBSA-N 2 1 391.516 0.493 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000580458433 1185237035 /nfs/dbraw/zinc/23/70/35/1185237035.db2.gz PIQYWDKUYRQVKM-GOSISDBHSA-N 2 1 389.544 0.234 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580476933 1185245469 /nfs/dbraw/zinc/24/54/69/1185245469.db2.gz PEKSMRSXPPVXCH-UHOSZYNNSA-N 2 1 392.544 0.614 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580476930 1185245601 /nfs/dbraw/zinc/24/56/01/1185245601.db2.gz PEKSMRSXPPVXCH-BHIYHBOVSA-N 2 1 392.544 0.614 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000275916273 1185272210 /nfs/dbraw/zinc/27/22/10/1185272210.db2.gz HBDMSKFTEFKKOJ-UHFFFAOYSA-N 2 1 389.544 0.825 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026497 1185305919 /nfs/dbraw/zinc/30/59/19/1185305919.db2.gz WHEWRVHWRXEZRI-GFCCVEGCSA-N 2 1 377.514 0.855 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026497 1185305926 /nfs/dbraw/zinc/30/59/26/1185305926.db2.gz WHEWRVHWRXEZRI-GFCCVEGCSA-N 2 1 377.514 0.855 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000580730802 1185317322 /nfs/dbraw/zinc/31/73/22/1185317322.db2.gz MSCCYBVRDVNRFK-ZACQAIPSSA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[NH+](C)CC1 ZINC000656288359 1185334821 /nfs/dbraw/zinc/33/48/21/1185334821.db2.gz AYHQHYLJZHJBDR-OTWHNJEPSA-N 2 1 393.576 0.508 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000580762042 1185347631 /nfs/dbraw/zinc/34/76/31/1185347631.db2.gz DUQSMUJGIFEDLI-INIZCTEOSA-N 2 1 395.529 0.838 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000580762042 1185347639 /nfs/dbraw/zinc/34/76/39/1185347639.db2.gz DUQSMUJGIFEDLI-INIZCTEOSA-N 2 1 395.529 0.838 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000413402790 1185359029 /nfs/dbraw/zinc/35/90/29/1185359029.db2.gz VWSGCZURXNAMFE-RBUKOAKNSA-N 2 1 398.548 0.353 20 0 GCADMP Cc1nnc(N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001707885947 1185402029 /nfs/dbraw/zinc/40/20/29/1185402029.db2.gz CJVRRHLXVBQMAH-UYAOXDASSA-N 2 1 391.564 0.258 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000656316405 1185404056 /nfs/dbraw/zinc/40/40/56/1185404056.db2.gz RNKCDXHTVSOWFW-MANSERQUSA-N 2 1 392.544 0.879 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000557767822 1185416274 /nfs/dbraw/zinc/41/62/74/1185416274.db2.gz UBWPXGCQUPPCIM-GOSISDBHSA-N 2 1 376.501 0.244 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354295 1185448406 /nfs/dbraw/zinc/44/84/06/1185448406.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354295 1185448411 /nfs/dbraw/zinc/44/84/11/1185448411.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354295 1185448415 /nfs/dbraw/zinc/44/84/15/1185448415.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354295 1185448417 /nfs/dbraw/zinc/44/84/17/1185448417.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354295 1185448422 /nfs/dbraw/zinc/44/84/22/1185448422.db2.gz BTEKDEJUTBZVJX-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656353387 1185449799 /nfs/dbraw/zinc/44/97/99/1185449799.db2.gz ANRYNDQYNAJILU-ROUUACIJSA-N 2 1 380.533 0.689 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000656356203 1185454897 /nfs/dbraw/zinc/45/48/97/1185454897.db2.gz RNTPPYHVJJVNEV-MOPGFXCFSA-N 2 1 392.544 0.690 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356460 1185457286 /nfs/dbraw/zinc/45/72/86/1185457286.db2.gz DMTIKFPNOMEVQD-UHOSZYNNSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356460 1185457290 /nfs/dbraw/zinc/45/72/90/1185457290.db2.gz DMTIKFPNOMEVQD-UHOSZYNNSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356460 1185457292 /nfs/dbraw/zinc/45/72/92/1185457292.db2.gz DMTIKFPNOMEVQD-UHOSZYNNSA-N 2 1 392.544 0.831 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356876 1185457702 /nfs/dbraw/zinc/45/77/02/1185457702.db2.gz HUZHPNAHEBGSSR-FHWLQOOXSA-N 2 1 392.544 0.690 20 0 GCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656361021 1185464526 /nfs/dbraw/zinc/46/45/26/1185464526.db2.gz XMOQILZOXYLMKR-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152421 1185503573 /nfs/dbraw/zinc/50/35/73/1185503573.db2.gz BZEVKIGOFGWBSG-NQIIRXRSSA-N 2 1 393.576 0.591 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408379 1185505175 /nfs/dbraw/zinc/50/51/75/1185505175.db2.gz CPNYLXWEQWLSSA-ROUUACIJSA-N 2 1 376.501 0.460 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408379 1185505177 /nfs/dbraw/zinc/50/51/77/1185505177.db2.gz CPNYLXWEQWLSSA-ROUUACIJSA-N 2 1 376.501 0.460 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074947 1185548501 /nfs/dbraw/zinc/54/85/01/1185548501.db2.gz SYNWASKJYOQKML-INIZCTEOSA-N 2 1 394.520 0.343 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4cc(C[NH+](C)C)on4)C[C@H]32)CC[N@@H+]1C ZINC001021804395 1185563050 /nfs/dbraw/zinc/56/30/50/1185563050.db2.gz ZFEVKYZUFSFOGG-CXHZTBPHSA-N 2 1 389.500 0.749 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)c4cc(C[NH+](C)C)on4)C[C@H]32)CC[N@H+]1C ZINC001021804395 1185563055 /nfs/dbraw/zinc/56/30/55/1185563055.db2.gz ZFEVKYZUFSFOGG-CXHZTBPHSA-N 2 1 389.500 0.749 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104345252 1185612384 /nfs/dbraw/zinc/61/23/84/1185612384.db2.gz FDCVKANGTDWKDU-JOCBIADPSA-N 2 1 380.533 0.306 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)NCC1CC1 ZINC001104345252 1185612390 /nfs/dbraw/zinc/61/23/90/1185612390.db2.gz FDCVKANGTDWKDU-JOCBIADPSA-N 2 1 380.533 0.306 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104345743 1185614339 /nfs/dbraw/zinc/61/43/39/1185614339.db2.gz RBTCJPIPNMLZFC-YFHUEUNASA-N 2 1 380.533 0.401 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N(C)C1CC1 ZINC001104345743 1185614347 /nfs/dbraw/zinc/61/43/47/1185614347.db2.gz RBTCJPIPNMLZFC-YFHUEUNASA-N 2 1 380.533 0.401 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104346791 1185618792 /nfs/dbraw/zinc/61/87/92/1185618792.db2.gz JHEBZPYWFHQQEK-QBPKDAKJSA-N 2 1 389.562 0.214 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCCS(C)(=O)=O ZINC001104346791 1185618804 /nfs/dbraw/zinc/61/88/04/1185618804.db2.gz JHEBZPYWFHQQEK-QBPKDAKJSA-N 2 1 389.562 0.214 20 0 GCADMP [NH3+]CCCOC1CC[NH+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 ZINC000430581759 1185638672 /nfs/dbraw/zinc/63/86/72/1185638672.db2.gz OVPJZHHALWAFMQ-UHFFFAOYSA-N 2 1 379.457 0.740 20 0 GCADMP COc1ccc(C)cc1NC(=O)CNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430586374 1185645875 /nfs/dbraw/zinc/64/58/75/1185645875.db2.gz WGEACJOWDRFSLV-UHFFFAOYSA-N 2 1 392.500 0.888 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000581423499 1185685534 /nfs/dbraw/zinc/68/55/34/1185685534.db2.gz UOURRKSMUGBDMJ-JCECYMMASA-N 2 1 380.533 0.530 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000581423499 1185685536 /nfs/dbraw/zinc/68/55/36/1185685536.db2.gz UOURRKSMUGBDMJ-JCECYMMASA-N 2 1 380.533 0.530 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430603760 1185691674 /nfs/dbraw/zinc/69/16/74/1185691674.db2.gz LEDUCRMGDXSBRE-OAHLLOKOSA-N 2 1 387.484 0.539 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000430603760 1185691685 /nfs/dbraw/zinc/69/16/85/1185691685.db2.gz LEDUCRMGDXSBRE-OAHLLOKOSA-N 2 1 387.484 0.539 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000581440822 1185692201 /nfs/dbraw/zinc/69/22/01/1185692201.db2.gz SDQAKJPXTLWPPI-IPMKNSEASA-N 2 1 385.512 0.850 20 0 GCADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609592 1185752010 /nfs/dbraw/zinc/75/20/10/1185752010.db2.gz HQJLIQNYECLHTO-OLZOCXBDSA-N 2 1 379.436 0.649 20 0 GCADMP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000430611263 1185762311 /nfs/dbraw/zinc/76/23/11/1185762311.db2.gz NZBYDBKQNJUIKG-OAHLLOKOSA-N 2 1 390.484 0.786 20 0 GCADMP COc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000430611263 1185762315 /nfs/dbraw/zinc/76/23/15/1185762315.db2.gz NZBYDBKQNJUIKG-OAHLLOKOSA-N 2 1 390.484 0.786 20 0 GCADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000430614062 1185768190 /nfs/dbraw/zinc/76/81/90/1185768190.db2.gz XQMVKSOYDFLFEJ-QGZVFWFLSA-N 2 1 376.476 0.894 20 0 GCADMP COCCOCC[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639723210 1185769805 /nfs/dbraw/zinc/76/98/05/1185769805.db2.gz CBYMFWPAGNSVCK-NRFANRHFSA-N 2 1 377.529 0.904 20 0 GCADMP COCCOCC[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639723210 1185769814 /nfs/dbraw/zinc/76/98/14/1185769814.db2.gz CBYMFWPAGNSVCK-NRFANRHFSA-N 2 1 377.529 0.904 20 0 GCADMP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430617086 1185783969 /nfs/dbraw/zinc/78/39/69/1185783969.db2.gz JVTGPZWXBPPGAQ-KBPBESRZSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430617086 1185783972 /nfs/dbraw/zinc/78/39/72/1185783972.db2.gz JVTGPZWXBPPGAQ-KBPBESRZSA-N 2 1 378.473 0.818 20 0 GCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430616799 1185784176 /nfs/dbraw/zinc/78/41/76/1185784176.db2.gz HXEUBVBQQGCECQ-AWEZNQCLSA-N 2 1 378.439 0.930 20 0 GCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430616799 1185784180 /nfs/dbraw/zinc/78/41/80/1185784180.db2.gz HXEUBVBQQGCECQ-AWEZNQCLSA-N 2 1 378.439 0.930 20 0 GCADMP COc1ccc(OC)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430617088 1185784326 /nfs/dbraw/zinc/78/43/26/1185784326.db2.gz JVTGPZWXBPPGAQ-UONOGXRCSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430617088 1185784328 /nfs/dbraw/zinc/78/43/28/1185784328.db2.gz JVTGPZWXBPPGAQ-UONOGXRCSA-N 2 1 378.473 0.818 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1OC ZINC000430617402 1185789111 /nfs/dbraw/zinc/78/91/11/1185789111.db2.gz MJJSXDPQFKZXPD-MRXNPFEDSA-N 2 1 392.500 0.449 20 0 GCADMP COc1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1S(=O)(=O)N(C)C ZINC000430618492 1185792210 /nfs/dbraw/zinc/79/22/10/1185792210.db2.gz URLUJLAVZRDVPE-UHFFFAOYSA-N 2 1 384.502 0.555 20 0 GCADMP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619906 1185793203 /nfs/dbraw/zinc/79/32/03/1185793203.db2.gz BLXWEOQUYSAVFY-ZFWWWQNUSA-N 2 1 375.473 0.160 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000430620522 1185796722 /nfs/dbraw/zinc/79/67/22/1185796722.db2.gz IEDUGJUKOSEZSI-OAHLLOKOSA-N 2 1 394.466 0.767 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642808243 1185805768 /nfs/dbraw/zinc/80/57/68/1185805768.db2.gz UMBWRRQUPLYVEK-KFKAGJAMSA-N 2 1 388.512 0.588 20 0 GCADMP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430625012 1185807201 /nfs/dbraw/zinc/80/72/01/1185807201.db2.gz JWNFBVMWZHLCIG-KRWDZBQOSA-N 2 1 376.501 0.831 20 0 GCADMP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626478 1185810955 /nfs/dbraw/zinc/81/09/55/1185810955.db2.gz LCVOWXOZJOXAIM-FUHWJXTLSA-N 2 1 388.512 0.844 20 0 GCADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430629482 1185817883 /nfs/dbraw/zinc/81/78/83/1185817883.db2.gz QFBGGCXSUBFRAH-KRWDZBQOSA-N 2 1 376.501 0.585 20 0 GCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430631379 1185819538 /nfs/dbraw/zinc/81/95/38/1185819538.db2.gz BDYYQHBPUSYKJU-OAHLLOKOSA-N 2 1 398.529 0.103 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430639391 1185842971 /nfs/dbraw/zinc/84/29/71/1185842971.db2.gz HYVYSYOETMGCDK-KRWDZBQOSA-N 3 1 379.549 0.119 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430639391 1185842975 /nfs/dbraw/zinc/84/29/75/1185842975.db2.gz HYVYSYOETMGCDK-KRWDZBQOSA-N 2 1 379.549 0.119 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641347 1185849848 /nfs/dbraw/zinc/84/98/48/1185849848.db2.gz SJECBNUCJOZRJN-JKSUJKDBSA-N 2 1 376.505 0.508 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641347 1185849856 /nfs/dbraw/zinc/84/98/56/1185849856.db2.gz SJECBNUCJOZRJN-JKSUJKDBSA-N 2 1 376.505 0.508 20 0 GCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642783 1185849925 /nfs/dbraw/zinc/84/99/25/1185849925.db2.gz KWTUIIKVIHPRRX-AWEZNQCLSA-N 2 1 387.484 0.537 20 0 GCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430642783 1185849931 /nfs/dbraw/zinc/84/99/31/1185849931.db2.gz KWTUIIKVIHPRRX-AWEZNQCLSA-N 2 1 387.484 0.537 20 0 GCADMP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643326 1185856009 /nfs/dbraw/zinc/85/60/09/1185856009.db2.gz XFIVDNDSYZGSDE-INIZCTEOSA-N 2 1 378.542 0.990 20 0 GCADMP Cc1ccc(SCCNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430643326 1185856013 /nfs/dbraw/zinc/85/60/13/1185856013.db2.gz XFIVDNDSYZGSDE-INIZCTEOSA-N 2 1 378.542 0.990 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCC1(c2ccccc2)CC1 ZINC000430646132 1185862104 /nfs/dbraw/zinc/86/21/04/1185862104.db2.gz DJPLISDQZVJXOU-SFHVURJKSA-N 2 1 384.524 0.978 20 0 GCADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000581716499 1185863135 /nfs/dbraw/zinc/86/31/35/1185863135.db2.gz XLPORBRHVSVVOC-PBHICJAKSA-N 2 1 394.903 0.698 20 0 GCADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000581716500 1185863306 /nfs/dbraw/zinc/86/33/06/1185863306.db2.gz XLPORBRHVSVVOC-RHSMWYFYSA-N 2 1 394.903 0.698 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000581716600 1185863523 /nfs/dbraw/zinc/86/35/23/1185863523.db2.gz HUZFBEBXVSFSAF-HZPDHXFCSA-N 2 1 393.557 0.269 20 0 GCADMP O=C([C@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1)N1CC[NH2+]CC1 ZINC000430647981 1185863887 /nfs/dbraw/zinc/86/38/87/1185863887.db2.gz QSTQJMSDTDRMPH-INIZCTEOSA-N 2 1 384.480 0.817 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656890038 1185870309 /nfs/dbraw/zinc/87/03/09/1185870309.db2.gz DPRVWJCFENFCLH-KZNAEPCWSA-N 2 1 391.578 0.716 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](OC)[C@@H]1CCOC1 ZINC000656890038 1185870319 /nfs/dbraw/zinc/87/03/19/1185870319.db2.gz DPRVWJCFENFCLH-KZNAEPCWSA-N 2 1 391.578 0.716 20 0 GCADMP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430651128 1185872820 /nfs/dbraw/zinc/87/28/20/1185872820.db2.gz VRGIZSWIOUYPPZ-MRXNPFEDSA-N 2 1 395.525 0.613 20 0 GCADMP CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430651128 1185872824 /nfs/dbraw/zinc/87/28/24/1185872824.db2.gz VRGIZSWIOUYPPZ-MRXNPFEDSA-N 2 1 395.525 0.613 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1cccs1 ZINC000430656027 1185882490 /nfs/dbraw/zinc/88/24/90/1185882490.db2.gz SRTQTEDZCGYZKK-CQSZACIVSA-N 2 1 393.513 0.218 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891482575 1185887344 /nfs/dbraw/zinc/88/73/44/1185887344.db2.gz KBZJSVDUTDSXKH-OALUTQOASA-N 2 1 387.528 0.943 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430658393 1185899888 /nfs/dbraw/zinc/89/98/88/1185899888.db2.gz XKJASKGXNHGVAJ-QZTJIDSGSA-N 2 1 387.528 0.416 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519413 1185903351 /nfs/dbraw/zinc/90/33/51/1185903351.db2.gz XSOJANOQMQNVIZ-TWMKSMIVSA-N 2 1 379.505 0.683 20 0 GCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563299 1185922014 /nfs/dbraw/zinc/92/20/14/1185922014.db2.gz CQYOPBZNJAIPAZ-PXNSSMCTSA-N 2 1 381.565 0.799 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C(F)(F)F ZINC000891567085 1185922355 /nfs/dbraw/zinc/92/23/55/1185922355.db2.gz VKBGPMIIIDTDMJ-RBSFLKMASA-N 2 1 393.454 0.172 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670071 1185963935 /nfs/dbraw/zinc/96/39/35/1185963935.db2.gz NISFWHYVANVISW-NXOAAHMSSA-N 2 1 379.505 0.541 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419897875 1185975876 /nfs/dbraw/zinc/97/58/76/1185975876.db2.gz OZEPWMDMGIMFRD-ROUUACIJSA-N 2 1 387.528 0.653 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419897878 1185975963 /nfs/dbraw/zinc/97/59/63/1185975963.db2.gz OZEPWMDMGIMFRD-ZWKOTPCHSA-N 2 1 387.528 0.653 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419891208 1185977371 /nfs/dbraw/zinc/97/73/71/1185977371.db2.gz IIXHZFJKFIFMBI-QZTJIDSGSA-N 2 1 382.549 0.970 20 0 GCADMP CC(C)[NH+](C)CCNS(=O)(=O)c1c[nH]c(C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000548368577 1186010301 /nfs/dbraw/zinc/01/03/01/1186010301.db2.gz KLMDNBXNSJUCNU-UHFFFAOYSA-N 2 1 387.550 0.703 20 0 GCADMP CC(C)[NH+](C)CCNC(=O)c1cc(S(=O)(=O)NCC[N@H+](C)C(C)C)c[nH]1 ZINC000548368577 1186010304 /nfs/dbraw/zinc/01/03/04/1186010304.db2.gz KLMDNBXNSJUCNU-UHFFFAOYSA-N 2 1 387.550 0.703 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@]3(CCOC)CC[NH2+]C3)CC2)CC1 ZINC000430726827 1186024540 /nfs/dbraw/zinc/02/45/40/1186024540.db2.gz WEYLFSGTEGWGOI-NRFANRHFSA-N 2 1 394.560 0.795 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998497 1186036639 /nfs/dbraw/zinc/03/66/39/1186036639.db2.gz IREXBDDIFILVER-QZTJIDSGSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998497 1186036646 /nfs/dbraw/zinc/03/66/46/1186036646.db2.gz IREXBDDIFILVER-QZTJIDSGSA-N 2 1 394.560 0.888 20 0 GCADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@]2(C)C1 ZINC000933741043 1186055797 /nfs/dbraw/zinc/05/57/97/1186055797.db2.gz UVBPAYGSNJXUCP-KDOFPFPSSA-N 2 1 377.489 0.546 20 0 GCADMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@]2(C)C1 ZINC000933741043 1186055802 /nfs/dbraw/zinc/05/58/02/1186055802.db2.gz UVBPAYGSNJXUCP-KDOFPFPSSA-N 2 1 377.489 0.546 20 0 GCADMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@]2(C)C1 ZINC000933741043 1186055808 /nfs/dbraw/zinc/05/58/08/1186055808.db2.gz UVBPAYGSNJXUCP-KDOFPFPSSA-N 2 1 377.489 0.546 20 0 GCADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C[C@]2(C)C1 ZINC000933741043 1186055812 /nfs/dbraw/zinc/05/58/12/1186055812.db2.gz UVBPAYGSNJXUCP-KDOFPFPSSA-N 2 1 377.489 0.546 20 0 GCADMP CNS(=O)(=O)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)nc1 ZINC000276824017 1186093357 /nfs/dbraw/zinc/09/33/57/1186093357.db2.gz ORLYCEKXWOGGIN-UHFFFAOYSA-N 2 1 398.533 0.479 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C[C@H](O)Cn2cccn2)c1 ZINC000562988024 1186097870 /nfs/dbraw/zinc/09/78/70/1186097870.db2.gz LFDXQYOCGLXBCO-IBGZPJMESA-N 2 1 387.484 0.695 20 0 GCADMP COc1nccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001087181482 1186117541 /nfs/dbraw/zinc/11/75/41/1186117541.db2.gz ULNWAFPGSQDJMZ-XYVMCAHJSA-N 2 1 391.516 0.921 20 0 GCADMP COc1nccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001087181482 1186117543 /nfs/dbraw/zinc/11/75/43/1186117543.db2.gz ULNWAFPGSQDJMZ-XYVMCAHJSA-N 2 1 391.516 0.921 20 0 GCADMP COC1CC[NH+](CCNS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)CC1 ZINC000684581995 1186186964 /nfs/dbraw/zinc/18/69/64/1186186964.db2.gz VISBFUBAEFFFFM-UHFFFAOYSA-N 2 1 387.550 0.451 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1(C)C ZINC000431306193 1186333983 /nfs/dbraw/zinc/33/39/83/1186333983.db2.gz OYFSMRDORFHPAD-UHFFFAOYSA-N 2 1 396.580 0.304 20 0 GCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC1CCC([NH+]2CCNCC2)CC1 ZINC000892132747 1186364052 /nfs/dbraw/zinc/36/40/52/1186364052.db2.gz ULJCLAKOPLJKID-DAWZGUTISA-N 2 1 379.549 0.661 20 0 GCADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431333711 1186367724 /nfs/dbraw/zinc/36/77/24/1186367724.db2.gz PMXKRFFHADOLNA-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP OCCN1CCC[C@@H]2[C@H]1CC[NH+]2CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261313 1186388474 /nfs/dbraw/zinc/38/84/74/1186388474.db2.gz DZURJUHNFVDESR-YSFYHYPLSA-N 2 1 394.604 0.829 20 0 GCADMP OCCN1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC[NH+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261313 1186388477 /nfs/dbraw/zinc/38/84/77/1186388477.db2.gz DZURJUHNFVDESR-YSFYHYPLSA-N 2 1 394.604 0.829 20 0 GCADMP OCCN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC[NH+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261313 1186388481 /nfs/dbraw/zinc/38/84/81/1186388481.db2.gz DZURJUHNFVDESR-YSFYHYPLSA-N 2 1 394.604 0.829 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000559462622 1186393668 /nfs/dbraw/zinc/39/36/68/1186393668.db2.gz HFJVNIDWZWGEOB-GOSISDBHSA-N 2 1 381.565 0.365 20 0 GCADMP C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@H]1CC[NH3+] ZINC000653242315 1186417935 /nfs/dbraw/zinc/41/79/35/1186417935.db2.gz NRFPRHNLDJIBGO-FGTMMUONSA-N 2 1 380.533 0.676 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892187837 1186419772 /nfs/dbraw/zinc/41/97/72/1186419772.db2.gz NJLZWAITSYOGBB-MKXGPGLRSA-N 2 1 379.549 0.470 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000559555252 1186433763 /nfs/dbraw/zinc/43/37/63/1186433763.db2.gz ZKWSOQRQTRZQFO-QGZVFWFLSA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000582140834 1186433780 /nfs/dbraw/zinc/43/37/80/1186433780.db2.gz CENVVOXSAAAIIM-ZIFCJYIRSA-N 2 1 392.544 0.546 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CN1CCN(C)C(=O)C1 ZINC000548697136 1186443988 /nfs/dbraw/zinc/44/39/88/1186443988.db2.gz MTVFHYJTUDZGKJ-UHFFFAOYSA-N 2 1 393.576 0.415 20 0 GCADMP CN1CCN(c2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)cc2Cl)CC1 ZINC000892217847 1186456883 /nfs/dbraw/zinc/45/68/83/1186456883.db2.gz FIVQACITKXNUFU-UHFFFAOYSA-N 2 1 397.907 0.071 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195541 1186460668 /nfs/dbraw/zinc/46/06/68/1186460668.db2.gz HNYGUTXRDHYRLU-QZTJIDSGSA-N 2 1 381.565 0.367 20 0 GCADMP CN1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000582230721 1186470307 /nfs/dbraw/zinc/47/03/07/1186470307.db2.gz XGHRNKDSQZOUMK-FQEVSTJZSA-N 2 1 388.560 0.479 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511094660 1186476832 /nfs/dbraw/zinc/47/68/32/1186476832.db2.gz YULUOMMPBUAHFN-INIZCTEOSA-N 2 1 388.578 0.579 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511094660 1186476838 /nfs/dbraw/zinc/47/68/38/1186476838.db2.gz YULUOMMPBUAHFN-INIZCTEOSA-N 2 1 388.578 0.579 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235125 1186481109 /nfs/dbraw/zinc/48/11/09/1186481109.db2.gz FBJGICJEBAKLSJ-HHARLNAUSA-N 2 1 377.489 0.580 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000511097123 1186492158 /nfs/dbraw/zinc/49/21/58/1186492158.db2.gz VNLRNZZCHWUGES-OKZBNKHCSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000511097123 1186492162 /nfs/dbraw/zinc/49/21/62/1186492162.db2.gz VNLRNZZCHWUGES-OKZBNKHCSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC000972145066 1186494182 /nfs/dbraw/zinc/49/41/82/1186494182.db2.gz YGESZCZJSLPTQJ-NXWXRZEISA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC000972145066 1186494186 /nfs/dbraw/zinc/49/41/86/1186494186.db2.gz YGESZCZJSLPTQJ-NXWXRZEISA-N 2 1 392.544 0.497 20 0 GCADMP C[NH+](C)Cc1cccc(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000559903377 1186506226 /nfs/dbraw/zinc/50/62/26/1186506226.db2.gz QFPHBEIMOLGALH-UHFFFAOYSA-N 2 1 376.501 0.280 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000582407582 1186523452 /nfs/dbraw/zinc/52/34/52/1186523452.db2.gz MRKAHRSTFXHFQZ-SFHVURJKSA-N 2 1 381.565 0.765 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000582555215 1186565572 /nfs/dbraw/zinc/56/55/72/1186565572.db2.gz KAARTMNTCDZKGJ-MRXNPFEDSA-N 2 1 380.533 0.546 20 0 GCADMP Cn1cc([C@@H]2C[N@@H+](CC(=O)N3CCN(Cc4ccccc4)CC3)C[C@H]2CO)cn1 ZINC000277699856 1186569545 /nfs/dbraw/zinc/56/95/45/1186569545.db2.gz HQAZMMBCWKTURH-SFTDATJTSA-N 2 1 397.523 0.772 20 0 GCADMP Cn1cc([C@@H]2CN(CC(=O)N3CCN(Cc4ccccc4)CC3)C[C@H]2CO)cn1 ZINC000277699856 1186569552 /nfs/dbraw/zinc/56/95/52/1186569552.db2.gz HQAZMMBCWKTURH-SFTDATJTSA-N 2 1 397.523 0.772 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@H](C[NH3+])C1 ZINC000582600497 1186580929 /nfs/dbraw/zinc/58/09/29/1186580929.db2.gz TVGJGZSMCOABEC-KNQAVFIVSA-N 2 1 399.539 0.212 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000582658115 1186599527 /nfs/dbraw/zinc/59/95/27/1186599527.db2.gz PPQPYSKCCQGHSI-GOSISDBHSA-N 2 1 394.560 0.794 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000582680703 1186607901 /nfs/dbraw/zinc/60/79/01/1186607901.db2.gz LRECSKAJIOBUDS-MSOLQXFVSA-N 2 1 379.549 0.073 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788246 1186610407 /nfs/dbraw/zinc/61/04/07/1186610407.db2.gz ZXXJNDWNXPBUEP-WOJBJXKFSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277788246 1186610410 /nfs/dbraw/zinc/61/04/10/1186610410.db2.gz ZXXJNDWNXPBUEP-WOJBJXKFSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277788246 1186610412 /nfs/dbraw/zinc/61/04/12/1186610412.db2.gz ZXXJNDWNXPBUEP-WOJBJXKFSA-N 2 1 389.544 0.823 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@@H+]1C1CC1 ZINC000119131344 1186660911 /nfs/dbraw/zinc/66/09/11/1186660911.db2.gz KNYZPXSRQLTNIX-IAGOWNOFSA-N 2 1 387.532 0.913 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[N@H+]1C1CC1 ZINC000119131344 1186660913 /nfs/dbraw/zinc/66/09/13/1186660913.db2.gz KNYZPXSRQLTNIX-IAGOWNOFSA-N 2 1 387.532 0.913 20 0 GCADMP CC[NH+]1CCC(CNC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000582801046 1186680956 /nfs/dbraw/zinc/68/09/56/1186680956.db2.gz LNBRXXPAZIZXKM-MRXNPFEDSA-N 2 1 380.533 0.546 20 0 GCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000582863935 1186716632 /nfs/dbraw/zinc/71/66/32/1186716632.db2.gz GXVPWWYNTZITLD-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000582863935 1186716633 /nfs/dbraw/zinc/71/66/33/1186716633.db2.gz GXVPWWYNTZITLD-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC000972430713 1186720853 /nfs/dbraw/zinc/72/08/53/1186720853.db2.gz KEDOEVMTOYKEQL-FCGDIQPGSA-N 2 1 392.544 0.498 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC000972430713 1186720855 /nfs/dbraw/zinc/72/08/55/1186720855.db2.gz KEDOEVMTOYKEQL-FCGDIQPGSA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582895918 1186724793 /nfs/dbraw/zinc/72/47/93/1186724793.db2.gz WCXIHMKGLBQQFK-ROUUACIJSA-N 2 1 387.528 0.409 20 0 GCADMP Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000583012389 1186747675 /nfs/dbraw/zinc/74/76/75/1186747675.db2.gz SNIKYQDWMQBZCF-KRWDZBQOSA-N 2 1 382.468 0.665 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074641 1186763976 /nfs/dbraw/zinc/76/39/76/1186763976.db2.gz SZPGTESJCIIYLZ-BZSNNMDCSA-N 2 1 380.533 0.641 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074644 1186764075 /nfs/dbraw/zinc/76/40/75/1186764075.db2.gz SZPGTESJCIIYLZ-OKZBNKHCSA-N 2 1 380.533 0.641 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000150740599 1186764392 /nfs/dbraw/zinc/76/43/92/1186764392.db2.gz AGKABWHFEOBOAI-GOSISDBHSA-N 2 1 379.549 0.914 20 0 GCADMP Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262228169 1186769012 /nfs/dbraw/zinc/76/90/12/1186769012.db2.gz VCMQCMHWDAOCCV-GOSISDBHSA-N 2 1 388.512 0.728 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000657738236 1186786539 /nfs/dbraw/zinc/78/65/39/1186786539.db2.gz WUWPRKPSCYMKOU-GOSISDBHSA-N 2 1 379.549 0.025 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000657738236 1186786541 /nfs/dbraw/zinc/78/65/41/1186786541.db2.gz WUWPRKPSCYMKOU-GOSISDBHSA-N 2 1 379.549 0.025 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625781 1186799322 /nfs/dbraw/zinc/79/93/22/1186799322.db2.gz SFDRZONMHHXBDQ-MRXNPFEDSA-N 2 1 377.489 0.198 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650303 1186799883 /nfs/dbraw/zinc/79/98/83/1186799883.db2.gz FCSWLFYGQMOUHB-MRXNPFEDSA-N 2 1 391.516 0.507 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000583231796 1186802816 /nfs/dbraw/zinc/80/28/16/1186802816.db2.gz PAVKQKUQSGPBAM-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000583231796 1186802820 /nfs/dbraw/zinc/80/28/20/1186802820.db2.gz PAVKQKUQSGPBAM-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583320447 1186826180 /nfs/dbraw/zinc/82/61/80/1186826180.db2.gz UWZPLGRIVNATDL-QXAKKESOSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583320447 1186826182 /nfs/dbraw/zinc/82/61/82/1186826182.db2.gz UWZPLGRIVNATDL-QXAKKESOSA-N 2 1 388.512 0.650 20 0 GCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392504 1186843878 /nfs/dbraw/zinc/84/38/78/1186843878.db2.gz IKEJGSASJRVWCX-IPMKNSEASA-N 2 1 385.512 0.504 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458541248 1186861994 /nfs/dbraw/zinc/86/19/94/1186861994.db2.gz AEPWPQBUWUJGFI-IPMKNSEASA-N 2 1 382.549 0.900 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000163212744 1186887223 /nfs/dbraw/zinc/88/72/23/1186887223.db2.gz KCYZAFQNUDMNPV-UHFFFAOYSA-N 2 1 387.528 0.927 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000583656877 1186913044 /nfs/dbraw/zinc/91/30/44/1186913044.db2.gz PSQNDLHCURFUFL-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778182 1186937357 /nfs/dbraw/zinc/93/73/57/1186937357.db2.gz GIQUVWUSUZAREV-QFBILLFUSA-N 2 1 391.560 0.071 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001211603445 1186966097 /nfs/dbraw/zinc/96/60/97/1186966097.db2.gz BLQPGWIIJSAHBY-RSPOEFSDSA-N 2 1 375.513 0.920 20 0 GCADMP COCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 ZINC000158700388 1186989000 /nfs/dbraw/zinc/98/90/00/1186989000.db2.gz OBRMNBUAZCDOII-UHFFFAOYSA-N 2 1 399.561 0.880 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)CC2)cc[nH+]1 ZINC000584051121 1186990108 /nfs/dbraw/zinc/99/01/08/1186990108.db2.gz IIOJFPVQGJMNPB-AWEZNQCLSA-N 2 1 385.476 0.021 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](CN2CCN(C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)C1 ZINC000584222023 1187016874 /nfs/dbraw/zinc/01/68/74/1187016874.db2.gz SWEMIISICUDIJT-QWFCFKBJSA-N 2 1 381.565 0.750 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277348 1187019688 /nfs/dbraw/zinc/01/96/88/1187019688.db2.gz GPSLNLZKSYFYRJ-OAGGEKHMSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277348 1187019691 /nfs/dbraw/zinc/01/96/91/1187019691.db2.gz GPSLNLZKSYFYRJ-OAGGEKHMSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277348 1187019694 /nfs/dbraw/zinc/01/96/94/1187019694.db2.gz GPSLNLZKSYFYRJ-OAGGEKHMSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000584292157 1187026529 /nfs/dbraw/zinc/02/65/29/1187026529.db2.gz VWBUEKHWOOLZTQ-WOJBJXKFSA-N 3 1 379.593 0.983 20 0 GCADMP O=C(CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000584345629 1187035522 /nfs/dbraw/zinc/03/55/22/1187035522.db2.gz HUDZNKFEOZBHBC-GOSISDBHSA-N 2 1 398.429 0.989 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)O1 ZINC000972608548 1187038746 /nfs/dbraw/zinc/03/87/46/1187038746.db2.gz UTVREWQNOWLRMZ-NCXUSEDFSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)O1 ZINC000972608548 1187038748 /nfs/dbraw/zinc/03/87/48/1187038748.db2.gz UTVREWQNOWLRMZ-NCXUSEDFSA-N 2 1 392.544 0.641 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611840127 1187047330 /nfs/dbraw/zinc/04/73/30/1187047330.db2.gz ZTARILXRHDSGAT-SJORKVTESA-N 2 1 380.533 0.593 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329790273 1187049453 /nfs/dbraw/zinc/04/94/53/1187049453.db2.gz SYQLTUONTDFHGH-MOPGFXCFSA-N 2 1 392.544 0.644 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329790282 1187049762 /nfs/dbraw/zinc/04/97/62/1187049762.db2.gz SYQLTUONTDFHGH-RBUKOAKNSA-N 2 1 392.544 0.644 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000375748615 1187058976 /nfs/dbraw/zinc/05/89/76/1187058976.db2.gz IPLWKQYLPCLQHN-CVEARBPZSA-N 2 1 390.532 1.325 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000584438104 1187064278 /nfs/dbraw/zinc/06/42/78/1187064278.db2.gz KHJOTYIWPASFRY-SFHVURJKSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000584438104 1187064283 /nfs/dbraw/zinc/06/42/83/1187064283.db2.gz KHJOTYIWPASFRY-SFHVURJKSA-N 2 1 378.517 0.443 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)C2)CC1 ZINC000584456006 1187070498 /nfs/dbraw/zinc/07/04/98/1187070498.db2.gz XXXAEIVOQIEGNX-GOSISDBHSA-N 2 1 379.549 0.166 20 0 GCADMP CN1CCN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000584459102 1187080623 /nfs/dbraw/zinc/08/06/23/1187080623.db2.gz ZIQVRTABAYHHNR-JKSUJKDBSA-N 2 1 380.562 0.321 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000563912364 1187087205 /nfs/dbraw/zinc/08/72/05/1187087205.db2.gz RLNFYOZOKKPONY-BPQIPLTHSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000685342086 1187107804 /nfs/dbraw/zinc/10/78/04/1187107804.db2.gz VYQHBSXMANTQIW-YJBOKZPZSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342086 1187107808 /nfs/dbraw/zinc/10/78/08/1187107808.db2.gz VYQHBSXMANTQIW-YJBOKZPZSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342876 1187108002 /nfs/dbraw/zinc/10/80/02/1187108002.db2.gz JXCPQIHJVRUROK-FHWLQOOXSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342876 1187108007 /nfs/dbraw/zinc/10/80/07/1187108007.db2.gz JXCPQIHJVRUROK-FHWLQOOXSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685342877 1187108436 /nfs/dbraw/zinc/10/84/36/1187108436.db2.gz JXCPQIHJVRUROK-GBESFXJTSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342877 1187108438 /nfs/dbraw/zinc/10/84/38/1187108438.db2.gz JXCPQIHJVRUROK-GBESFXJTSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342879 1187109282 /nfs/dbraw/zinc/10/92/82/1187109282.db2.gz JXCPQIHJVRUROK-OTWHNJEPSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342879 1187109283 /nfs/dbraw/zinc/10/92/83/1187109283.db2.gz JXCPQIHJVRUROK-OTWHNJEPSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000685344443 1187110329 /nfs/dbraw/zinc/11/03/29/1187110329.db2.gz XACHSGBHFRVLNF-MAUKXSAKSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344443 1187110333 /nfs/dbraw/zinc/11/03/33/1187110333.db2.gz XACHSGBHFRVLNF-MAUKXSAKSA-N 2 1 394.491 0.551 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501352 1187137183 /nfs/dbraw/zinc/13/71/83/1187137183.db2.gz XNSYVYYKVZIXDI-RTBURBONSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)C1 ZINC000685501352 1187137185 /nfs/dbraw/zinc/13/71/85/1187137185.db2.gz XNSYVYYKVZIXDI-RTBURBONSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)CC2)C1 ZINC000685501352 1187137188 /nfs/dbraw/zinc/13/71/88/1187137188.db2.gz XNSYVYYKVZIXDI-RTBURBONSA-N 2 1 391.560 0.358 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000685520192 1187142429 /nfs/dbraw/zinc/14/24/29/1187142429.db2.gz LCKBPZSOIWCWCU-KRWDZBQOSA-N 2 1 381.565 0.319 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000685520192 1187142432 /nfs/dbraw/zinc/14/24/32/1187142432.db2.gz LCKBPZSOIWCWCU-KRWDZBQOSA-N 2 1 381.565 0.319 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000685520192 1187142435 /nfs/dbraw/zinc/14/24/35/1187142435.db2.gz LCKBPZSOIWCWCU-KRWDZBQOSA-N 2 1 381.565 0.319 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC[N@H+]1C ZINC001023848133 1187157715 /nfs/dbraw/zinc/15/77/15/1187157715.db2.gz ZEEOQKHZDKAJEN-QBPKDAKJSA-N 2 1 380.533 0.279 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)C[C@H]2O)CC[N@H+]1C ZINC001023979146 1187210776 /nfs/dbraw/zinc/21/07/76/1187210776.db2.gz QMIJPMDSWOPIQA-BSDSXHPESA-N 2 1 392.544 0.281 20 0 GCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658084567 1187242897 /nfs/dbraw/zinc/24/28/97/1187242897.db2.gz DHSXUYSEHYTGNK-SFHVURJKSA-N 2 1 381.565 0.271 20 0 GCADMP C[C@H](CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+](C)C ZINC000658423558 1187294752 /nfs/dbraw/zinc/29/47/52/1187294752.db2.gz VYRYWJSPEOENDH-MRXNPFEDSA-N 2 1 376.501 0.956 20 0 GCADMP CC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C[C@H]2CCOC2)CC1 ZINC000612154363 1187314745 /nfs/dbraw/zinc/31/47/45/1187314745.db2.gz ZZXAACLOBYCUQJ-KURKYZTESA-N 2 1 390.532 0.992 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000658622889 1187389701 /nfs/dbraw/zinc/38/97/01/1187389701.db2.gz ISJFVHCWJGSEOX-QGZVFWFLSA-N 2 1 381.565 0.460 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000658622889 1187389702 /nfs/dbraw/zinc/38/97/02/1187389702.db2.gz ISJFVHCWJGSEOX-QGZVFWFLSA-N 2 1 381.565 0.460 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658649834 1187398556 /nfs/dbraw/zinc/39/85/56/1187398556.db2.gz RSGBJSGKQNPRGO-HNNXBMFYSA-N 2 1 376.505 0.906 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@H]2C1 ZINC000612223820 1187411863 /nfs/dbraw/zinc/41/18/63/1187411863.db2.gz LORFNMLXTNSOLB-UXHICEINSA-N 2 1 399.539 0.962 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658780906 1187461186 /nfs/dbraw/zinc/46/11/86/1187461186.db2.gz GUNJWINYDGGNFZ-LJQANCHMSA-N 2 1 393.576 0.558 20 0 GCADMP C[NH+](C)CC1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000612350236 1187469160 /nfs/dbraw/zinc/46/91/60/1187469160.db2.gz PQZUAWUKPYJKRN-UHFFFAOYSA-N 2 1 389.548 0.972 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000612445440 1187492642 /nfs/dbraw/zinc/49/26/42/1187492642.db2.gz LHOUACUEKWAILJ-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000612445440 1187492644 /nfs/dbraw/zinc/49/26/44/1187492644.db2.gz LHOUACUEKWAILJ-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445440 1187492645 /nfs/dbraw/zinc/49/26/45/1187492645.db2.gz LHOUACUEKWAILJ-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445440 1187492649 /nfs/dbraw/zinc/49/26/49/1187492649.db2.gz LHOUACUEKWAILJ-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612484286 1187505549 /nfs/dbraw/zinc/50/55/49/1187505549.db2.gz AGKDEBIIAJLAGH-ROUUACIJSA-N 2 1 380.533 0.404 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[N@@H+]1CCO ZINC000658803742 1187516723 /nfs/dbraw/zinc/51/67/23/1187516723.db2.gz RFQXTKOVUCQIPA-QGZVFWFLSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CC[N@H+]1CCO ZINC000658803742 1187516726 /nfs/dbraw/zinc/51/67/26/1187516726.db2.gz RFQXTKOVUCQIPA-QGZVFWFLSA-N 2 1 380.533 0.378 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000668778113 1187521613 /nfs/dbraw/zinc/52/16/13/1187521613.db2.gz ISGOUXJCVIZFDO-HOTGVXAUSA-N 2 1 395.548 0.034 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000668778113 1187521618 /nfs/dbraw/zinc/52/16/18/1187521618.db2.gz ISGOUXJCVIZFDO-HOTGVXAUSA-N 2 1 395.548 0.034 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000668778113 1187521620 /nfs/dbraw/zinc/52/16/20/1187521620.db2.gz ISGOUXJCVIZFDO-HOTGVXAUSA-N 2 1 395.548 0.034 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC([NH+]3CCN(C(C)C)CC3)CC2)C1 ZINC000612545784 1187521776 /nfs/dbraw/zinc/52/17/76/1187521776.db2.gz MTSWLBGPELZYGB-GOSISDBHSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612545784 1187521778 /nfs/dbraw/zinc/52/17/78/1187521778.db2.gz MTSWLBGPELZYGB-GOSISDBHSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612545784 1187521782 /nfs/dbraw/zinc/52/17/82/1187521782.db2.gz MTSWLBGPELZYGB-GOSISDBHSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000612545327 1187521836 /nfs/dbraw/zinc/52/18/36/1187521836.db2.gz JMYKRMLNMOYSTL-QGZVFWFLSA-N 2 1 380.533 0.690 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000612545537 1187522286 /nfs/dbraw/zinc/52/22/86/1187522286.db2.gz LAYAQPGYBGRCJP-IBGZPJMESA-N 2 1 394.560 0.938 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000413845042 1187543955 /nfs/dbraw/zinc/54/39/55/1187543955.db2.gz JMIFPWRWSIKPQS-FJIDUMEYSA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000413845042 1187543959 /nfs/dbraw/zinc/54/39/59/1187543959.db2.gz JMIFPWRWSIKPQS-FJIDUMEYSA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000413845042 1187543964 /nfs/dbraw/zinc/54/39/64/1187543964.db2.gz JMIFPWRWSIKPQS-FJIDUMEYSA-N 2 1 382.549 0.363 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[NH+](CC)CC2)[C@H](C)C1 ZINC000570304603 1187566234 /nfs/dbraw/zinc/56/62/34/1187566234.db2.gz DAJAARDDCBWVGL-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@H+](CC)CC2)[C@H](C)C1 ZINC000570304603 1187566237 /nfs/dbraw/zinc/56/62/37/1187566237.db2.gz DAJAARDDCBWVGL-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[N@@H+](CC)CC2)[C@H](C)C1 ZINC000570304603 1187566240 /nfs/dbraw/zinc/56/62/40/1187566240.db2.gz DAJAARDDCBWVGL-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP COC(=O)[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+](C)C1 ZINC000413907981 1187577723 /nfs/dbraw/zinc/57/77/23/1187577723.db2.gz UFDXQDUDLFZARZ-KRWDZBQOSA-N 2 1 389.500 0.157 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000570414645 1187598995 /nfs/dbraw/zinc/59/89/95/1187598995.db2.gz ROJIKUQMABONAU-ROUUACIJSA-N 2 1 398.548 0.077 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000570414645 1187599002 /nfs/dbraw/zinc/59/90/02/1187599002.db2.gz ROJIKUQMABONAU-ROUUACIJSA-N 2 1 398.548 0.077 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)C1 ZINC000570414645 1187599009 /nfs/dbraw/zinc/59/90/09/1187599009.db2.gz ROJIKUQMABONAU-ROUUACIJSA-N 2 1 398.548 0.077 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)CC[N@H+]1C ZINC001024745915 1187605575 /nfs/dbraw/zinc/60/55/75/1187605575.db2.gz RAWRASFAVKNVMP-YLFCFFPRSA-N 2 1 378.517 0.033 20 0 GCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658856211 1187653100 /nfs/dbraw/zinc/65/31/00/1187653100.db2.gz UDQPVXJCHJKLBY-LJQANCHMSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000589035798 1187726013 /nfs/dbraw/zinc/72/60/13/1187726013.db2.gz NTQGLLXLJJUTJJ-OKZBNKHCSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000332833628 1187787014 /nfs/dbraw/zinc/78/70/14/1187787014.db2.gz HNVLHBLRBXCSFT-AEFFLSMTSA-N 2 1 378.517 0.466 20 0 GCADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000332833628 1187787021 /nfs/dbraw/zinc/78/70/21/1187787021.db2.gz HNVLHBLRBXCSFT-AEFFLSMTSA-N 2 1 378.517 0.466 20 0 GCADMP C[C@H](O)CN1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)[C@@H](C)C1 ZINC000249266486 1187821521 /nfs/dbraw/zinc/82/15/21/1187821521.db2.gz IFXHMEUVINXSFZ-IRXDYDNUSA-N 2 1 380.558 0.779 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000658963550 1187821607 /nfs/dbraw/zinc/82/16/07/1187821607.db2.gz RKORCXKMBCALPP-KRWDZBQOSA-N 2 1 384.484 0.774 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000658963550 1187821608 /nfs/dbraw/zinc/82/16/08/1187821608.db2.gz RKORCXKMBCALPP-KRWDZBQOSA-N 2 1 384.484 0.774 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000658990760 1187832983 /nfs/dbraw/zinc/83/29/83/1187832983.db2.gz HDRVWLUTHBEQSI-CQSZACIVSA-N 2 1 383.518 0.742 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000658990760 1187832987 /nfs/dbraw/zinc/83/29/87/1187832987.db2.gz HDRVWLUTHBEQSI-CQSZACIVSA-N 2 1 383.518 0.742 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000658993225 1187833913 /nfs/dbraw/zinc/83/39/13/1187833913.db2.gz IXRAWMYAAIFPMH-ZHALLVOQSA-N 2 1 392.544 0.641 20 0 GCADMP O=C(Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659096933 1187877262 /nfs/dbraw/zinc/87/72/62/1187877262.db2.gz FPTGZDRLKPCAMX-IRXDYDNUSA-N 2 1 382.468 0.747 20 0 GCADMP C[NH+](C)CCCN1C(=O)C[C@@H]([N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000647600975 1187908119 /nfs/dbraw/zinc/90/81/19/1187908119.db2.gz QRSMYAYDPKZDHF-ZWKOTPCHSA-N 2 1 386.496 0.704 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423498013 1187915807 /nfs/dbraw/zinc/91/58/07/1187915807.db2.gz AWZCDMCSUMUZDW-MSOLQXFVSA-N 2 1 381.565 0.460 20 0 GCADMP CN(C)C(=O)CN1CCN(C(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134915056 1187928012 /nfs/dbraw/zinc/92/80/12/1187928012.db2.gz LDBJDTAMBACMPB-MJGOQNOKSA-N 2 1 391.560 0.168 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345082 1187945578 /nfs/dbraw/zinc/94/55/78/1187945578.db2.gz YNZPOWLQCRQITN-OALUTQOASA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345082 1187945581 /nfs/dbraw/zinc/94/55/81/1187945581.db2.gz YNZPOWLQCRQITN-OALUTQOASA-N 2 1 393.576 0.556 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344786 1187946048 /nfs/dbraw/zinc/94/60/48/1187946048.db2.gz KQXDZUBIZRMBLL-RTBURBONSA-N 2 1 391.560 0.310 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344786 1187946050 /nfs/dbraw/zinc/94/60/50/1187946050.db2.gz KQXDZUBIZRMBLL-RTBURBONSA-N 2 1 391.560 0.310 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000166152022 1187948863 /nfs/dbraw/zinc/94/88/63/1187948863.db2.gz LXORSKSOUUAONL-UXLLHSPISA-N 2 1 376.505 0.916 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000166152022 1187948864 /nfs/dbraw/zinc/94/88/64/1187948864.db2.gz LXORSKSOUUAONL-UXLLHSPISA-N 2 1 376.505 0.916 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H]1C ZINC000659433442 1187958152 /nfs/dbraw/zinc/95/81/52/1187958152.db2.gz KDEPEKHNMBOHBJ-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H]1C ZINC000659433442 1187958156 /nfs/dbraw/zinc/95/81/56/1187958156.db2.gz KDEPEKHNMBOHBJ-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1C ZINC000659433442 1187958158 /nfs/dbraw/zinc/95/81/58/1187958158.db2.gz KDEPEKHNMBOHBJ-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H]1C ZINC000659433442 1187958160 /nfs/dbraw/zinc/95/81/60/1187958160.db2.gz KDEPEKHNMBOHBJ-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659452446 1187960924 /nfs/dbraw/zinc/96/09/24/1187960924.db2.gz BVOFGVYWBMKANM-IIDMSEBBSA-N 2 1 381.471 0.955 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000659456310 1187961050 /nfs/dbraw/zinc/96/10/50/1187961050.db2.gz KMEFWQJMGSJISM-HIFRSBDPSA-N 2 1 380.493 0.577 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551598 1187971151 /nfs/dbraw/zinc/97/11/51/1187971151.db2.gz WXQJLBNNXCYPCI-RTBURBONSA-N 2 1 375.517 0.480 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551598 1187971154 /nfs/dbraw/zinc/97/11/54/1187971154.db2.gz WXQJLBNNXCYPCI-RTBURBONSA-N 2 1 375.517 0.480 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1(C)C ZINC000659688570 1187998244 /nfs/dbraw/zinc/99/82/44/1187998244.db2.gz BIQDNVUGKWKCGY-SFHVURJKSA-N 2 1 393.576 0.367 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000659756341 1188020738 /nfs/dbraw/zinc/02/07/38/1188020738.db2.gz QVCDRZNVLLODJM-JQHSSLGASA-N 2 1 381.565 0.506 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000415406209 1188073731 /nfs/dbraw/zinc/07/37/31/1188073731.db2.gz XDRXFXYKSGVHLK-UHFFFAOYSA-N 2 1 388.512 0.958 20 0 GCADMP CN(CCC[N@@H+](C)CC(=O)N1CCC(C(=O)N2CCCC2)CC1)CC[NH+](C)C ZINC000377601697 1188084310 /nfs/dbraw/zinc/08/43/10/1188084310.db2.gz APEROOSWFVXXPI-UHFFFAOYSA-N 2 1 395.592 0.663 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@H](C)O1 ZINC000377647161 1188094897 /nfs/dbraw/zinc/09/48/97/1188094897.db2.gz LTVIZVBNTMGVCJ-ZIFCJYIRSA-N 2 1 394.560 0.744 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CCC1 ZINC000415559520 1188106275 /nfs/dbraw/zinc/10/62/75/1188106275.db2.gz LFGRFROTGJDVHQ-UHFFFAOYSA-N 2 1 399.495 0.910 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000415602327 1188119880 /nfs/dbraw/zinc/11/98/80/1188119880.db2.gz RFTXRFGLEOLRIV-BFYDXBDKSA-N 2 1 390.484 0.420 20 0 GCADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000415604439 1188121758 /nfs/dbraw/zinc/12/17/58/1188121758.db2.gz FRXCASQQEVBFGY-UHFFFAOYSA-N 2 1 399.442 0.486 20 0 GCADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000377735503 1188126217 /nfs/dbraw/zinc/12/62/17/1188126217.db2.gz ZTWAMRPXTWVACW-IBGZPJMESA-N 2 1 381.565 0.957 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(O)C[NH+]4CCC3CC4)CC2)CC1 ZINC000584538872 1188144432 /nfs/dbraw/zinc/14/44/32/1188144432.db2.gz CWKICNHNWLWTKU-NRFANRHFSA-N 3 1 378.561 0.756 20 0 GCADMP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415781042 1188163606 /nfs/dbraw/zinc/16/36/06/1188163606.db2.gz DSVCLDGWTZTRQS-INIZCTEOSA-N 2 1 387.484 0.766 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472905953 1189372993 /nfs/dbraw/zinc/37/29/93/1189372993.db2.gz JKMSKVRLZLPATC-QGZVFWFLSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000415839868 1189376953 /nfs/dbraw/zinc/37/69/53/1189376953.db2.gz FPPQIUSEFCDCHI-FUHWJXTLSA-N 2 1 388.512 0.943 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000106928685 1189447838 /nfs/dbraw/zinc/44/78/38/1189447838.db2.gz NETSNISCKKXGPE-RCCFBDPRSA-N 2 1 379.549 0.071 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526452 1189528195 /nfs/dbraw/zinc/52/81/95/1189528195.db2.gz NTQJNIGINCEYLT-CEXWTWQISA-N 2 1 379.549 0.519 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)n2)[C@H](C)C1 ZINC000893258903 1189549786 /nfs/dbraw/zinc/54/97/86/1189549786.db2.gz MCTZQDVNTOGFTO-BDXSIMOUSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)n2)[C@H](C)C1 ZINC000893258903 1189549788 /nfs/dbraw/zinc/54/97/88/1189549788.db2.gz MCTZQDVNTOGFTO-BDXSIMOUSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)n2)[C@H](C)C1 ZINC000893258903 1189549793 /nfs/dbraw/zinc/54/97/93/1189549793.db2.gz MCTZQDVNTOGFTO-BDXSIMOUSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)n2)[C@@H](C)C1 ZINC000893258905 1189550078 /nfs/dbraw/zinc/55/00/78/1189550078.db2.gz MCTZQDVNTOGFTO-OWSLCNJRSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893258905 1189550084 /nfs/dbraw/zinc/55/00/84/1189550084.db2.gz MCTZQDVNTOGFTO-OWSLCNJRSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893258905 1189550091 /nfs/dbraw/zinc/55/00/91/1189550091.db2.gz MCTZQDVNTOGFTO-OWSLCNJRSA-N 2 1 392.548 0.259 20 0 GCADMP COC(=O)C1(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378614725 1189550933 /nfs/dbraw/zinc/55/09/33/1189550933.db2.gz DQLFHMISCAUHFP-OAHLLOKOSA-N 2 1 382.505 0.424 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000416828498 1189586643 /nfs/dbraw/zinc/58/66/43/1189586643.db2.gz DXAMRIFDQGUXNZ-AEFFLSMTSA-N 2 1 375.517 0.987 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000416881065 1189591097 /nfs/dbraw/zinc/59/10/97/1189591097.db2.gz ZVEAJXXWJONHQE-IRXDYDNUSA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCOCC1 ZINC000416934035 1189594548 /nfs/dbraw/zinc/59/45/48/1189594548.db2.gz CLCDLFNJVIDRRI-MSOLQXFVSA-N 2 1 393.536 0.830 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416926306 1189594873 /nfs/dbraw/zinc/59/48/73/1189594873.db2.gz UKIJJMXISWFZPD-BBWFWOEESA-N 2 1 397.564 0.903 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416926306 1189594875 /nfs/dbraw/zinc/59/48/75/1189594875.db2.gz UKIJJMXISWFZPD-BBWFWOEESA-N 2 1 397.564 0.903 20 0 GCADMP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000416941011 1189596382 /nfs/dbraw/zinc/59/63/82/1189596382.db2.gz BIYOVVUIPRLTPO-IAGOWNOFSA-N 2 1 375.521 0.615 20 0 GCADMP C[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C[NH3+])C1 ZINC000416941983 1189596529 /nfs/dbraw/zinc/59/65/29/1189596529.db2.gz CTCIDHPUAFBYOG-DLBZAZTESA-N 2 1 375.521 0.758 20 0 GCADMP C[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H]1C[NH3+] ZINC000416941010 1189596664 /nfs/dbraw/zinc/59/66/64/1189596664.db2.gz BIYOVVUIPRLTPO-DLBZAZTESA-N 2 1 375.521 0.615 20 0 GCADMP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416946723 1189599367 /nfs/dbraw/zinc/59/93/67/1189599367.db2.gz ISULQYJEBZXQGA-KRWDZBQOSA-N 2 1 375.521 0.772 20 0 GCADMP [NH3+][C@H]1CCC[C@H](CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416960295 1189603036 /nfs/dbraw/zinc/60/30/36/1189603036.db2.gz VWLHRSSWZIBJAJ-IRXDYDNUSA-N 2 1 375.521 0.805 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594769 1189604889 /nfs/dbraw/zinc/60/48/89/1189604889.db2.gz DCMHNYUPHMLDOP-IAGOWNOFSA-N 2 1 382.549 0.839 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000364036715 1189625091 /nfs/dbraw/zinc/62/50/91/1189625091.db2.gz LZWHRSZNNSPYCE-JXFKEZNVSA-N 2 1 393.532 0.581 20 0 GCADMP [NH3+]C[C@H](NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CC1 ZINC000417160677 1189626117 /nfs/dbraw/zinc/62/61/17/1189626117.db2.gz IENRGAQLXQFRNY-SFHVURJKSA-N 2 1 389.500 0.884 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417161949 1189626203 /nfs/dbraw/zinc/62/62/03/1189626203.db2.gz KBAZUFDZCMRMQT-GOSISDBHSA-N 2 1 389.500 0.980 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000417165305 1189627070 /nfs/dbraw/zinc/62/70/70/1189627070.db2.gz RASTZGVTDYJFHI-SFHVURJKSA-N 2 1 389.500 0.899 20 0 GCADMP O=C(C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000660170641 1189632113 /nfs/dbraw/zinc/63/21/13/1189632113.db2.gz BYONWQMPUCEUNU-GOSISDBHSA-N 2 1 392.544 0.787 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C4CCOCC4)CC3)CC[C@@H]21 ZINC000660207985 1189659478 /nfs/dbraw/zinc/65/94/78/1189659478.db2.gz MZIGMVUIYDLCKR-AEFFLSMTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@@H]21 ZINC000660207985 1189659480 /nfs/dbraw/zinc/65/94/80/1189659480.db2.gz MZIGMVUIYDLCKR-AEFFLSMTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@@H]21 ZINC000660207985 1189659484 /nfs/dbraw/zinc/65/94/84/1189659484.db2.gz MZIGMVUIYDLCKR-AEFFLSMTSA-N 2 1 378.517 0.252 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417435350 1189662070 /nfs/dbraw/zinc/66/20/70/1189662070.db2.gz YGDSPIUZKNUFKU-SQNIBIBYSA-N 2 1 379.549 0.960 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000417462722 1189668754 /nfs/dbraw/zinc/66/87/54/1189668754.db2.gz YERQAJXQDHYIAV-SFHVURJKSA-N 2 1 380.489 0.513 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000584850334 1189691466 /nfs/dbraw/zinc/69/14/66/1189691466.db2.gz OVTBKZMXYBNNEJ-BMFZPTHFSA-N 2 1 375.473 0.251 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417725476 1189701308 /nfs/dbraw/zinc/70/13/08/1189701308.db2.gz GHLMUFOSFMVTBY-IEBWSBKVSA-N 2 1 375.517 0.956 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000417757713 1189702825 /nfs/dbraw/zinc/70/28/25/1189702825.db2.gz ULCRBJVAYWVEPG-IRXDYDNUSA-N 2 1 383.537 0.245 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115610 1189724553 /nfs/dbraw/zinc/72/45/53/1189724553.db2.gz OSOQSXUKMACAMQ-IRXDYDNUSA-N 2 1 383.537 0.516 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110600 1189724640 /nfs/dbraw/zinc/72/46/40/1189724640.db2.gz FKCJOKHHPLVUKW-HUUCEWRRSA-N 2 1 395.470 0.623 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000418168639 1189730262 /nfs/dbraw/zinc/73/02/62/1189730262.db2.gz LQWABXGPGVFSRR-INIZCTEOSA-N 2 1 382.553 0.042 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000364329048 1189747276 /nfs/dbraw/zinc/74/72/76/1189747276.db2.gz FDAZVPJZSRMZHC-RTBURBONSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCO1 ZINC000364329048 1189747285 /nfs/dbraw/zinc/74/72/85/1189747285.db2.gz FDAZVPJZSRMZHC-RTBURBONSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCO1 ZINC000364329048 1189747291 /nfs/dbraw/zinc/74/72/91/1189747291.db2.gz FDAZVPJZSRMZHC-RTBURBONSA-N 2 1 381.565 0.909 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)C2)C1 ZINC000652693966 1189799299 /nfs/dbraw/zinc/79/92/99/1189799299.db2.gz KMRMESINJGFDRR-ZKXLYKBJSA-N 2 1 378.517 0.474 20 0 GCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000660535829 1189894603 /nfs/dbraw/zinc/89/46/03/1189894603.db2.gz LFGLFROGVHYQAG-GBESFXJTSA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)CC2)C1 ZINC000660535829 1189894609 /nfs/dbraw/zinc/89/46/09/1189894609.db2.gz LFGLFROGVHYQAG-GBESFXJTSA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)CC2)C1 ZINC000660535829 1189894614 /nfs/dbraw/zinc/89/46/14/1189894614.db2.gz LFGLFROGVHYQAG-GBESFXJTSA-N 2 1 391.560 0.168 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582853 1189911522 /nfs/dbraw/zinc/91/15/22/1189911522.db2.gz AKSIIFQPXNKATP-QZTJIDSGSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000660582853 1189911523 /nfs/dbraw/zinc/91/15/23/1189911523.db2.gz AKSIIFQPXNKATP-QZTJIDSGSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000660582853 1189911525 /nfs/dbraw/zinc/91/15/25/1189911525.db2.gz AKSIIFQPXNKATP-QZTJIDSGSA-N 2 1 379.549 0.995 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000660713381 1189939250 /nfs/dbraw/zinc/93/92/50/1189939250.db2.gz RQCDUJDYDJEZSK-FUHWJXTLSA-N 2 1 392.548 0.744 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660709556 1189941248 /nfs/dbraw/zinc/94/12/48/1189941248.db2.gz FQOKQNZWXJVSAZ-QGZVFWFLSA-N 2 1 379.549 0.960 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660709556 1189941250 /nfs/dbraw/zinc/94/12/50/1189941250.db2.gz FQOKQNZWXJVSAZ-QGZVFWFLSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1CC(C)(C)O ZINC000660791404 1189951236 /nfs/dbraw/zinc/95/12/36/1189951236.db2.gz MJQVNXKSQIYHJS-OXQOHEQNSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@H+]1CC(C)(C)O ZINC000660791404 1189951238 /nfs/dbraw/zinc/95/12/38/1189951238.db2.gz MJQVNXKSQIYHJS-OXQOHEQNSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791404 1189951242 /nfs/dbraw/zinc/95/12/42/1189951242.db2.gz MJQVNXKSQIYHJS-OXQOHEQNSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791404 1189951244 /nfs/dbraw/zinc/95/12/44/1189951244.db2.gz MJQVNXKSQIYHJS-OXQOHEQNSA-N 2 1 380.533 0.234 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660828918 1189955306 /nfs/dbraw/zinc/95/53/06/1189955306.db2.gz CFFQMMLEBFGFGO-MJGOQNOKSA-N 2 1 381.565 0.813 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660852698 1189957564 /nfs/dbraw/zinc/95/75/64/1189957564.db2.gz FVALSLIGIHJREH-ZWKOTPCHSA-N 2 1 395.548 0.482 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900241 1189963550 /nfs/dbraw/zinc/96/35/50/1189963550.db2.gz KRLYUKOEVHYLNK-XLIONFOSSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900241 1189963555 /nfs/dbraw/zinc/96/35/55/1189963555.db2.gz KRLYUKOEVHYLNK-XLIONFOSSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900241 1189963558 /nfs/dbraw/zinc/96/35/58/1189963558.db2.gz KRLYUKOEVHYLNK-XLIONFOSSA-N 2 1 378.517 0.111 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@H]3C2)CC[N@@H+]1C ZINC000975737206 1189969503 /nfs/dbraw/zinc/96/95/03/1189969503.db2.gz KIZDPNWTAYSRCS-HCXYKTFWSA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@H]3C2)CC[N@H+]1C ZINC000975737206 1189969506 /nfs/dbraw/zinc/96/95/06/1189969506.db2.gz KIZDPNWTAYSRCS-HCXYKTFWSA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)O1 ZINC000975821863 1189984407 /nfs/dbraw/zinc/98/44/07/1189984407.db2.gz MMCPTQHKLFMYCP-VSZNYVQBSA-N 2 1 390.528 0.251 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@@H]32)O1 ZINC000975821863 1189984413 /nfs/dbraw/zinc/98/44/13/1189984413.db2.gz MMCPTQHKLFMYCP-VSZNYVQBSA-N 2 1 390.528 0.251 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662743370 1190015248 /nfs/dbraw/zinc/01/52/48/1190015248.db2.gz ZADZWUHPJYSZHI-IBGZPJMESA-N 2 1 397.527 0.749 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662743370 1190015253 /nfs/dbraw/zinc/01/52/53/1190015253.db2.gz ZADZWUHPJYSZHI-IBGZPJMESA-N 2 1 397.527 0.749 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000661232739 1190019790 /nfs/dbraw/zinc/01/97/90/1190019790.db2.gz OLPXUCSTMOUVDE-QRVBRYPASA-N 2 1 391.560 0.310 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000661232739 1190019796 /nfs/dbraw/zinc/01/97/96/1190019796.db2.gz OLPXUCSTMOUVDE-QRVBRYPASA-N 2 1 391.560 0.310 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000661232739 1190019806 /nfs/dbraw/zinc/01/98/06/1190019806.db2.gz OLPXUCSTMOUVDE-QRVBRYPASA-N 2 1 391.560 0.310 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758003 1190021682 /nfs/dbraw/zinc/02/16/82/1190021682.db2.gz NIIJDKLXFYYQPJ-SJORKVTESA-N 2 1 375.521 0.445 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661305118 1190027857 /nfs/dbraw/zinc/02/78/57/1190027857.db2.gz NJXNELKRNKPWMV-GOSISDBHSA-N 2 1 396.532 0.420 20 0 GCADMP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000662788922 1190030652 /nfs/dbraw/zinc/03/06/52/1190030652.db2.gz XECROUMRGFZOOY-KRWDZBQOSA-N 2 1 380.533 0.452 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@@H]2C1 ZINC000661403657 1190043750 /nfs/dbraw/zinc/04/37/50/1190043750.db2.gz YAIQTOPSSKTITP-ZWKOTPCHSA-N 2 1 378.517 0.110 20 0 GCADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCCC[C@H]1C ZINC000512665129 1193729396 /nfs/dbraw/zinc/72/93/96/1193729396.db2.gz DQSSIXKYNKTWTE-MOPGFXCFSA-N 2 1 383.581 0.939 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419229112 1193736588 /nfs/dbraw/zinc/73/65/88/1193736588.db2.gz NQLDKIULPKTGHK-OGWHTMIXSA-N 2 1 388.512 0.445 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2sccc2C1 ZINC000419232656 1193742892 /nfs/dbraw/zinc/74/28/92/1193742892.db2.gz LAQUHZSBFRKVKT-IMJJTQAJSA-N 2 1 376.526 0.964 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2sccc2C1 ZINC000419232656 1193742895 /nfs/dbraw/zinc/74/28/95/1193742895.db2.gz LAQUHZSBFRKVKT-IMJJTQAJSA-N 2 1 376.526 0.964 20 0 GCADMP C[C@@H]1CN(c2cnc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)cn2)C[C@H](C)[NH+]1CCO ZINC000663973164 1193743467 /nfs/dbraw/zinc/74/34/67/1193743467.db2.gz WXYHSQAVNRJPQW-USTZCAOPSA-N 2 1 392.548 0.259 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419245438 1193758012 /nfs/dbraw/zinc/75/80/12/1193758012.db2.gz VUXCKOVMNLVIGE-AYOQOUSVSA-N 2 1 388.512 0.514 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419245438 1193758016 /nfs/dbraw/zinc/75/80/16/1193758016.db2.gz VUXCKOVMNLVIGE-AYOQOUSVSA-N 2 1 388.512 0.514 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419245437 1193758142 /nfs/dbraw/zinc/75/81/42/1193758142.db2.gz VUXCKOVMNLVIGE-ATZDWAIDSA-N 2 1 388.512 0.514 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419245437 1193758145 /nfs/dbraw/zinc/75/81/45/1193758145.db2.gz VUXCKOVMNLVIGE-ATZDWAIDSA-N 2 1 388.512 0.514 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000549880154 1193761809 /nfs/dbraw/zinc/76/18/09/1193761809.db2.gz STBXAIVRYWXQSA-GOSISDBHSA-N 2 1 382.549 0.698 20 0 GCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CCCN2CCC([NH3+])CC2)c1 ZINC000433149175 1193765908 /nfs/dbraw/zinc/76/59/08/1193765908.db2.gz CUYDNWSOFLMBMA-UHFFFAOYSA-N 2 1 389.544 0.798 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419272690 1193778718 /nfs/dbraw/zinc/77/87/18/1193778718.db2.gz VUKGLDCRKGZYNQ-LPHOPBHVSA-N 2 1 388.512 0.721 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCCCC1 ZINC000419273749 1193780550 /nfs/dbraw/zinc/78/05/50/1193780550.db2.gz XFRXRMCUYQCEPR-UHFFFAOYSA-N 2 1 388.512 0.913 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000549883133 1193781083 /nfs/dbraw/zinc/78/10/83/1193781083.db2.gz MYWNWONGHSKUEJ-UHFFFAOYSA-N 2 1 394.560 0.940 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCCC[C@H]3NS(C)(=O)=O)cn2)CC1 ZINC000512861373 1193788967 /nfs/dbraw/zinc/78/89/67/1193788967.db2.gz OEYDMPIJIJGWKL-IAGOWNOFSA-N 2 1 396.561 0.426 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCCC[C@H]3NS(C)(=O)=O)cn2)CC1 ZINC000512861372 1193789270 /nfs/dbraw/zinc/78/92/70/1193789270.db2.gz OEYDMPIJIJGWKL-DLBZAZTESA-N 2 1 396.561 0.426 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000419306608 1193799896 /nfs/dbraw/zinc/79/98/96/1193799896.db2.gz YHWHVIJZWKDKLF-KURKYZTESA-N 2 1 380.533 0.452 20 0 GCADMP C[NH+]1CCN(C(=O)[C@@H]2CCCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412112562 1193806278 /nfs/dbraw/zinc/80/62/78/1193806278.db2.gz BYIBQVUMWSPHRK-ROUUACIJSA-N 2 1 394.585 0.969 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324807 1193807535 /nfs/dbraw/zinc/80/75/35/1193807535.db2.gz CPRJCXMATSXKQZ-MSOLQXFVSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324807 1193807542 /nfs/dbraw/zinc/80/75/42/1193807542.db2.gz CPRJCXMATSXKQZ-MSOLQXFVSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324807 1193807549 /nfs/dbraw/zinc/80/75/49/1193807549.db2.gz CPRJCXMATSXKQZ-MSOLQXFVSA-N 2 1 397.564 0.729 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](N3CCOCC3)C(F)(F)F)cn2)CC1 ZINC000512977135 1193816163 /nfs/dbraw/zinc/81/61/63/1193816163.db2.gz GVQCSKFPCPBRIB-OAHLLOKOSA-N 2 1 388.438 0.581 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000419329971 1193822014 /nfs/dbraw/zinc/82/20/14/1193822014.db2.gz FQOSCAMFSLTIQY-LJQANCHMSA-N 2 1 387.528 0.261 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419330641 1193823043 /nfs/dbraw/zinc/82/30/43/1193823043.db2.gz GNHFOLNHQMIXSR-LJQANCHMSA-N 2 1 389.544 0.540 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395943 1193825246 /nfs/dbraw/zinc/82/52/46/1193825246.db2.gz BUQCVPOYUFANBO-IAGOWNOFSA-N 2 1 383.537 0.374 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395943 1193825247 /nfs/dbraw/zinc/82/52/47/1193825247.db2.gz BUQCVPOYUFANBO-IAGOWNOFSA-N 2 1 383.537 0.374 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395943 1193825250 /nfs/dbraw/zinc/82/52/50/1193825250.db2.gz BUQCVPOYUFANBO-IAGOWNOFSA-N 2 1 383.537 0.374 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433397508 1193825800 /nfs/dbraw/zinc/82/58/00/1193825800.db2.gz DEKJCKQZTVIUPJ-MRXNPFEDSA-N 2 1 376.505 0.968 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000419335512 1193828700 /nfs/dbraw/zinc/82/87/00/1193828700.db2.gz HOFWUCWACFEWMJ-SJORKVTESA-N 2 1 394.903 0.779 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000419336450 1193830110 /nfs/dbraw/zinc/83/01/10/1193830110.db2.gz KKKJJWNTQXDWAG-LJQANCHMSA-N 2 1 387.528 0.390 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000419343633 1193836088 /nfs/dbraw/zinc/83/60/88/1193836088.db2.gz QWCDHDOBXSKXJF-VQIMIIECSA-N 2 1 387.528 0.246 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000419341657 1193836176 /nfs/dbraw/zinc/83/61/76/1193836176.db2.gz OMWBPDYNUUYCQS-IBGZPJMESA-N 2 1 387.528 0.294 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419353546 1193848245 /nfs/dbraw/zinc/84/82/45/1193848245.db2.gz JVUHEJSLRWHYEG-PBHICJAKSA-N 2 1 398.454 0.221 20 0 GCADMP Cn1ccnc1[C@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129330 1193857252 /nfs/dbraw/zinc/85/72/52/1193857252.db2.gz FEOWXOOWELQFBC-WBVHZDCISA-N 2 1 392.548 0.947 20 0 GCADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419362416 1193866097 /nfs/dbraw/zinc/86/60/97/1193866097.db2.gz VBYDEXGYPMGTPS-IAGOWNOFSA-N 2 1 394.903 0.698 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCO1 ZINC000433462832 1193866122 /nfs/dbraw/zinc/86/61/22/1193866122.db2.gz LZYPFSBOSDXERZ-SFHVURJKSA-N 2 1 395.548 0.437 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419364874 1193869987 /nfs/dbraw/zinc/86/99/87/1193869987.db2.gz XEMFCDJULBHELR-QGZVFWFLSA-N 2 1 390.532 0.200 20 0 GCADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576415582 1193875783 /nfs/dbraw/zinc/87/57/83/1193875783.db2.gz IQAMMIPILPOCFR-OALUTQOASA-N 2 1 394.560 0.938 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576415582 1193875786 /nfs/dbraw/zinc/87/57/86/1193875786.db2.gz IQAMMIPILPOCFR-OALUTQOASA-N 2 1 394.560 0.938 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388449 1193897992 /nfs/dbraw/zinc/89/79/92/1193897992.db2.gz DRFAOJFXXFUOHP-IRXDYDNUSA-N 2 1 376.526 0.541 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388449 1193897994 /nfs/dbraw/zinc/89/79/94/1193897994.db2.gz DRFAOJFXXFUOHP-IRXDYDNUSA-N 2 1 376.526 0.541 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388447 1193898174 /nfs/dbraw/zinc/89/81/74/1193898174.db2.gz DRFAOJFXXFUOHP-IAGOWNOFSA-N 2 1 376.526 0.541 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388447 1193898181 /nfs/dbraw/zinc/89/81/81/1193898181.db2.gz DRFAOJFXXFUOHP-IAGOWNOFSA-N 2 1 376.526 0.541 20 0 GCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389457 1193900273 /nfs/dbraw/zinc/90/02/73/1193900273.db2.gz FIJUUWUUHINTCV-FXAWDEMLSA-N 2 1 390.553 0.918 20 0 GCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389457 1193900274 /nfs/dbraw/zinc/90/02/74/1193900274.db2.gz FIJUUWUUHINTCV-FXAWDEMLSA-N 2 1 390.553 0.918 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419390038 1193902347 /nfs/dbraw/zinc/90/23/47/1193902347.db2.gz FXFCNVDNBHXGCG-SJORKVTESA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419390038 1193902349 /nfs/dbraw/zinc/90/23/49/1193902349.db2.gz FXFCNVDNBHXGCG-SJORKVTESA-N 2 1 376.526 0.574 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000513474828 1193955464 /nfs/dbraw/zinc/95/54/64/1193955464.db2.gz HRYAUJHWXFHSEN-CVEARBPZSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664205974 1193959255 /nfs/dbraw/zinc/95/92/55/1193959255.db2.gz HZZFRDXXMNSRLS-XGXHKWSGSA-N 2 1 376.501 0.592 20 0 GCADMP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664205974 1193959257 /nfs/dbraw/zinc/95/92/57/1193959257.db2.gz HZZFRDXXMNSRLS-XGXHKWSGSA-N 2 1 376.501 0.592 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCC[C@@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017738 1193959287 /nfs/dbraw/zinc/95/92/87/1193959287.db2.gz UDNSZRSAEZALMA-CVEARBPZSA-N 2 1 382.534 0.178 20 0 GCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000333524218 1193965805 /nfs/dbraw/zinc/96/58/05/1193965805.db2.gz ZZYCJEGPCLDMDN-IBGZPJMESA-N 2 1 394.560 0.792 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000513601828 1193966101 /nfs/dbraw/zinc/96/61/01/1193966101.db2.gz AGBHVNOEJWCASO-CQSZACIVSA-N 2 1 375.473 0.535 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261807119 1194010648 /nfs/dbraw/zinc/01/06/48/1194010648.db2.gz JGMJRPRGXBFMIN-IEBWSBKVSA-N 3 1 393.576 0.556 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261807119 1194010653 /nfs/dbraw/zinc/01/06/53/1194010653.db2.gz JGMJRPRGXBFMIN-IEBWSBKVSA-N 2 1 393.576 0.556 20 0 GCADMP CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000466943544 1194012056 /nfs/dbraw/zinc/01/20/56/1194012056.db2.gz PQMKBCQZHQRHEO-QZTJIDSGSA-N 2 1 388.516 0.693 20 0 GCADMP COCC[NH+](C)CCCNC(=O)/C=C/C=C/C(=O)NCCC[N@H+](C)CCOC ZINC000280755550 1194018047 /nfs/dbraw/zinc/01/80/47/1194018047.db2.gz AMRQUIHFIUERHK-NXZHAISVSA-N 2 1 398.548 0.268 20 0 GCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398595 1194018702 /nfs/dbraw/zinc/01/87/02/1194018702.db2.gz HYAWLUABRUJAFO-SFHVURJKSA-N 2 1 388.537 0.756 20 0 GCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398595 1194018706 /nfs/dbraw/zinc/01/87/06/1194018706.db2.gz HYAWLUABRUJAFO-SFHVURJKSA-N 2 1 388.537 0.756 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419400137 1194019598 /nfs/dbraw/zinc/01/95/98/1194019598.db2.gz LIGJXKZFMHPCQK-DLBZAZTESA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419400137 1194019601 /nfs/dbraw/zinc/01/96/01/1194019601.db2.gz LIGJXKZFMHPCQK-DLBZAZTESA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419404254 1194020736 /nfs/dbraw/zinc/02/07/36/1194020736.db2.gz SQVAWRNCRHCLQI-KSZLIROESA-N 2 1 388.537 0.398 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419404254 1194020746 /nfs/dbraw/zinc/02/07/46/1194020746.db2.gz SQVAWRNCRHCLQI-KSZLIROESA-N 2 1 388.537 0.398 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419406441 1194021498 /nfs/dbraw/zinc/02/14/98/1194021498.db2.gz WVMXMQQQLLOYCZ-YTQUADARSA-N 2 1 388.512 0.508 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406657 1194021913 /nfs/dbraw/zinc/02/19/13/1194021913.db2.gz XBHDXDTZJDWTJS-NVXWUHKLSA-N 2 1 378.542 0.834 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406657 1194021916 /nfs/dbraw/zinc/02/19/16/1194021916.db2.gz XBHDXDTZJDWTJS-NVXWUHKLSA-N 2 1 378.542 0.834 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419647 1194022824 /nfs/dbraw/zinc/02/28/24/1194022824.db2.gz SDRAOHSVLHXIAY-QYZOEREBSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419647 1194022827 /nfs/dbraw/zinc/02/28/27/1194022827.db2.gz SDRAOHSVLHXIAY-QYZOEREBSA-N 2 1 388.512 0.650 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419559 1194022860 /nfs/dbraw/zinc/02/28/60/1194022860.db2.gz SAJZWNHLIIDANB-NZSAHSFTSA-N 2 1 390.528 0.896 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419559 1194022865 /nfs/dbraw/zinc/02/28/65/1194022865.db2.gz SAJZWNHLIIDANB-NZSAHSFTSA-N 2 1 390.528 0.896 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NCC1=CC[NH2+]CC1 ZINC000419420616 1194023264 /nfs/dbraw/zinc/02/32/64/1194023264.db2.gz NQWURSRJEXQCFD-UHFFFAOYSA-N 2 1 399.539 0.346 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421426 1194023584 /nfs/dbraw/zinc/02/35/84/1194023584.db2.gz VTAXODPLFLITDX-QZTJIDSGSA-N 2 1 376.501 0.508 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421426 1194023588 /nfs/dbraw/zinc/02/35/88/1194023588.db2.gz VTAXODPLFLITDX-QZTJIDSGSA-N 2 1 376.501 0.508 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419421268 1194024464 /nfs/dbraw/zinc/02/44/64/1194024464.db2.gz OKEZDKDZGHJZAZ-IBGZPJMESA-N 2 1 389.544 0.410 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419421275 1194024531 /nfs/dbraw/zinc/02/45/31/1194024531.db2.gz OLMLGLGICWAAOD-HXUWFJFHSA-N 2 1 399.539 0.517 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419421275 1194024537 /nfs/dbraw/zinc/02/45/37/1194024537.db2.gz OLMLGLGICWAAOD-HXUWFJFHSA-N 2 1 399.539 0.517 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419421275 1194024540 /nfs/dbraw/zinc/02/45/40/1194024540.db2.gz OLMLGLGICWAAOD-HXUWFJFHSA-N 2 1 399.539 0.517 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423114 1194025179 /nfs/dbraw/zinc/02/51/79/1194025179.db2.gz YCUPMASXZXBUCW-BPQIPLTHSA-N 2 1 376.501 0.493 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423114 1194025183 /nfs/dbraw/zinc/02/51/83/1194025183.db2.gz YCUPMASXZXBUCW-BPQIPLTHSA-N 2 1 376.501 0.493 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427179 1194027162 /nfs/dbraw/zinc/02/71/62/1194027162.db2.gz YTUZSNOGOCLUBF-RTBURBONSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427179 1194027167 /nfs/dbraw/zinc/02/71/67/1194027167.db2.gz YTUZSNOGOCLUBF-RTBURBONSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427179 1194027172 /nfs/dbraw/zinc/02/71/72/1194027172.db2.gz YTUZSNOGOCLUBF-RTBURBONSA-N 2 1 387.528 0.335 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427144 1194027717 /nfs/dbraw/zinc/02/77/17/1194027717.db2.gz YOICSTYSWLJREV-WMZOPIPTSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419427144 1194027720 /nfs/dbraw/zinc/02/77/20/1194027720.db2.gz YOICSTYSWLJREV-WMZOPIPTSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419427144 1194027723 /nfs/dbraw/zinc/02/77/23/1194027723.db2.gz YOICSTYSWLJREV-WMZOPIPTSA-N 2 1 375.517 0.192 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410807 1194028897 /nfs/dbraw/zinc/02/88/97/1194028897.db2.gz GUQFEGYZZUWFMD-RBUKOAKNSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410807 1194028901 /nfs/dbraw/zinc/02/89/01/1194028901.db2.gz GUQFEGYZZUWFMD-RBUKOAKNSA-N 2 1 388.512 0.732 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419413803 1194030417 /nfs/dbraw/zinc/03/04/17/1194030417.db2.gz FYXCRHGRXFJXEK-IEBWSBKVSA-N 2 1 389.544 0.596 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419413803 1194030421 /nfs/dbraw/zinc/03/04/21/1194030421.db2.gz FYXCRHGRXFJXEK-IEBWSBKVSA-N 2 1 389.544 0.596 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419413803 1194030425 /nfs/dbraw/zinc/03/04/25/1194030425.db2.gz FYXCRHGRXFJXEK-IEBWSBKVSA-N 2 1 389.544 0.596 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416271 1194032335 /nfs/dbraw/zinc/03/23/35/1194032335.db2.gz OMVMFHGCBZWVJG-RTBURBONSA-N 2 1 390.528 0.850 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416271 1194032339 /nfs/dbraw/zinc/03/23/39/1194032339.db2.gz OMVMFHGCBZWVJG-RTBURBONSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419454036 1194033309 /nfs/dbraw/zinc/03/33/09/1194033309.db2.gz SRWPILJERBSGGL-MSOLQXFVSA-N 2 1 387.528 0.429 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455964 1194034112 /nfs/dbraw/zinc/03/41/12/1194034112.db2.gz YKXGEQDZCLFPBT-QGZVFWFLSA-N 2 1 389.544 0.947 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000419445690 1194035487 /nfs/dbraw/zinc/03/54/87/1194035487.db2.gz FBQXQFPRVNGGOO-KURKYZTESA-N 2 1 387.528 0.557 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000419445188 1194035532 /nfs/dbraw/zinc/03/55/32/1194035532.db2.gz DOKVZIUIJRUULI-YQVWRLOYSA-N 2 1 387.528 0.509 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419446096 1194036131 /nfs/dbraw/zinc/03/61/31/1194036131.db2.gz FVIKHKSRGNFBNI-AEFFLSMTSA-N 2 1 375.517 0.413 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419448412 1194036248 /nfs/dbraw/zinc/03/62/48/1194036248.db2.gz IMBHAZMWDFKECH-PKOBYXMFSA-N 2 1 387.528 0.524 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419446098 1194036374 /nfs/dbraw/zinc/03/63/74/1194036374.db2.gz FVIKHKSRGNFBNI-SJLPKXTDSA-N 2 1 375.517 0.413 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000419453841 1194037585 /nfs/dbraw/zinc/03/75/85/1194037585.db2.gz SJYBIJDPQOCONV-DYESRHJHSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419454888 1194038309 /nfs/dbraw/zinc/03/83/09/1194038309.db2.gz UZCUPBJKOKPQBM-FGTMMUONSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCC1=CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487461 1194049114 /nfs/dbraw/zinc/04/91/14/1194049114.db2.gz BGSGBVYFFWBBHK-KRWDZBQOSA-N 2 1 385.512 0.349 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000419532455 1194050346 /nfs/dbraw/zinc/05/03/46/1194050346.db2.gz MTTNGCSPCVJYCL-ATLSCFEFSA-N 2 1 388.512 0.852 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513306 1194050711 /nfs/dbraw/zinc/05/07/11/1194050711.db2.gz ZDDGJRDADJIPAO-GUDVDZBRSA-N 2 1 399.539 0.381 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000419523114 1194053933 /nfs/dbraw/zinc/05/39/33/1194053933.db2.gz ACAOBCBMWISIOB-GOSISDBHSA-N 2 1 376.501 0.680 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419522749 1194053957 /nfs/dbraw/zinc/05/39/57/1194053957.db2.gz NJRKIIDYZCBVQX-DLBZAZTESA-N 2 1 395.548 0.069 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419549847 1194057655 /nfs/dbraw/zinc/05/76/55/1194057655.db2.gz VWJOVUORZOIQPY-WDSOQIARSA-N 2 1 390.528 0.926 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419594717 1194067205 /nfs/dbraw/zinc/06/72/05/1194067205.db2.gz UYPWPQDQIQHJJZ-KSZLIROESA-N 2 1 380.533 0.722 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000419697674 1194087781 /nfs/dbraw/zinc/08/77/81/1194087781.db2.gz QXHIDQGQHMUXBF-QZTJIDSGSA-N 2 1 380.533 0.722 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000419727830 1194088667 /nfs/dbraw/zinc/08/86/67/1194088667.db2.gz XBJNLLNLISBWEH-KRWDZBQOSA-N 2 1 380.439 0.899 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419769216 1194102136 /nfs/dbraw/zinc/10/21/36/1194102136.db2.gz DKRUXIHZMBPPGG-JKSUJKDBSA-N 2 1 395.548 0.069 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419805785 1194107545 /nfs/dbraw/zinc/10/75/45/1194107545.db2.gz DVPMIAKUVLPOFW-KHYOSLBOSA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419805785 1194107549 /nfs/dbraw/zinc/10/75/49/1194107549.db2.gz DVPMIAKUVLPOFW-KHYOSLBOSA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419805938 1194107609 /nfs/dbraw/zinc/10/76/09/1194107609.db2.gz FDSYPTFPTQRKGF-FCEWJHQRSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000419805938 1194107610 /nfs/dbraw/zinc/10/76/10/1194107610.db2.gz FDSYPTFPTQRKGF-FCEWJHQRSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419820850 1194109816 /nfs/dbraw/zinc/10/98/16/1194109816.db2.gz MRUWKALAKULJKT-BBWFWOEESA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419820850 1194109820 /nfs/dbraw/zinc/10/98/20/1194109820.db2.gz MRUWKALAKULJKT-BBWFWOEESA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419820854 1194110048 /nfs/dbraw/zinc/11/00/48/1194110048.db2.gz MRUWKALAKULJKT-IXDOHACOSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000419820854 1194110050 /nfs/dbraw/zinc/11/00/50/1194110050.db2.gz MRUWKALAKULJKT-IXDOHACOSA-N 2 1 388.512 0.719 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824208 1194110468 /nfs/dbraw/zinc/11/04/68/1194110468.db2.gz MMAXPRCTAADPCP-SJORKVTESA-N 2 1 381.565 0.271 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000419826167 1194110804 /nfs/dbraw/zinc/11/08/04/1194110804.db2.gz QOSKWCCKCFVOFP-IRXDYDNUSA-N 2 1 388.512 0.734 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419851134 1194115180 /nfs/dbraw/zinc/11/51/80/1194115180.db2.gz IGTURLXHAJNJJU-UHFFFAOYSA-N 2 1 389.500 0.171 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833118 1194116607 /nfs/dbraw/zinc/11/66/07/1194116607.db2.gz SJTSCQDTFOKUMP-AEFFLSMTSA-N 2 1 381.565 0.400 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419838543 1194118267 /nfs/dbraw/zinc/11/82/67/1194118267.db2.gz GAEUDPCQHSWGMF-SOLBZPMBSA-N 2 1 380.533 0.593 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419845102 1194119842 /nfs/dbraw/zinc/11/98/42/1194119842.db2.gz PJKZIGRBIFAYFP-UHOSZYNNSA-N 2 1 393.576 0.650 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000419859382 1194124125 /nfs/dbraw/zinc/12/41/25/1194124125.db2.gz YULVJQUUGCNDDR-UHFFFAOYSA-N 2 1 393.576 0.513 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000419860699 1194124159 /nfs/dbraw/zinc/12/41/59/1194124159.db2.gz CJRCZTVYWQLWQA-SFHVURJKSA-N 2 1 379.549 0.311 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419864336 1194125266 /nfs/dbraw/zinc/12/52/66/1194125266.db2.gz IMXMYXCSVUAHHG-IBGZPJMESA-N 2 1 387.528 0.036 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419863446 1194125508 /nfs/dbraw/zinc/12/55/08/1194125508.db2.gz ROMGTZYXIPPTKZ-AWEZNQCLSA-N 2 1 394.438 0.215 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000419867915 1194126832 /nfs/dbraw/zinc/12/68/32/1194126832.db2.gz LGSOXSWLTQAFQC-UHFFFAOYSA-N 2 1 387.528 0.132 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419871682 1194128578 /nfs/dbraw/zinc/12/85/78/1194128578.db2.gz XRWQLNYKIMCDLR-SFHVURJKSA-N 2 1 388.512 0.845 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419871682 1194128581 /nfs/dbraw/zinc/12/85/81/1194128581.db2.gz XRWQLNYKIMCDLR-SFHVURJKSA-N 2 1 388.512 0.845 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419875556 1194129615 /nfs/dbraw/zinc/12/96/15/1194129615.db2.gz HFLWHXTUDYRFDN-JQHSSLGASA-N 2 1 379.549 0.260 20 0 GCADMP [NH3+]C1CCC(NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000419884024 1194132249 /nfs/dbraw/zinc/13/22/49/1194132249.db2.gz WVDIHJUHJRUWPY-UHFFFAOYSA-N 2 1 394.438 0.486 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419896716 1194135732 /nfs/dbraw/zinc/13/57/32/1194135732.db2.gz QCJJGUHEBYEGOS-JKSUJKDBSA-N 2 1 378.542 0.939 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000419903027 1194137242 /nfs/dbraw/zinc/13/72/42/1194137242.db2.gz URCRJIBRPFQDAS-RBUKOAKNSA-N 2 1 388.512 0.811 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419930825 1194140277 /nfs/dbraw/zinc/14/02/77/1194140277.db2.gz BZLJCDXZEKXZSA-GOSISDBHSA-N 2 1 388.512 0.988 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419930825 1194140280 /nfs/dbraw/zinc/14/02/80/1194140280.db2.gz BZLJCDXZEKXZSA-GOSISDBHSA-N 2 1 388.512 0.988 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419912387 1194142306 /nfs/dbraw/zinc/14/23/06/1194142306.db2.gz LFQYTKSWVYNXEU-GOSISDBHSA-N 2 1 387.528 0.383 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000419911729 1194142773 /nfs/dbraw/zinc/14/27/73/1194142773.db2.gz UTJGSNWPDJGQSY-UHFFFAOYSA-N 2 1 376.501 0.845 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000419911729 1194142776 /nfs/dbraw/zinc/14/27/76/1194142776.db2.gz UTJGSNWPDJGQSY-UHFFFAOYSA-N 2 1 376.501 0.845 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000419951725 1194143853 /nfs/dbraw/zinc/14/38/53/1194143853.db2.gz NQEFPTVFHQXEDJ-MRXNPFEDSA-N 2 1 376.501 0.701 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000419951725 1194143855 /nfs/dbraw/zinc/14/38/55/1194143855.db2.gz NQEFPTVFHQXEDJ-MRXNPFEDSA-N 2 1 376.501 0.701 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419933445 1194144728 /nfs/dbraw/zinc/14/47/28/1194144728.db2.gz GZBGPNKHVIVQGA-NQIIRXRSSA-N 2 1 388.512 0.340 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000419935790 1194145045 /nfs/dbraw/zinc/14/50/45/1194145045.db2.gz SSIDTNZWRFSRDJ-FPAYPSAMSA-N 2 1 388.512 0.903 20 0 GCADMP C[NH+]1CCC(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)(N2CCCCC2)CC1 ZINC000419938015 1194145510 /nfs/dbraw/zinc/14/55/10/1194145510.db2.gz OPLJWGSCGURMDG-QGZVFWFLSA-N 2 1 379.549 0.311 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972849 1194150254 /nfs/dbraw/zinc/15/02/54/1194150254.db2.gz ZTPNXRCZCGOHEZ-QAPCUYQASA-N 2 1 380.533 0.722 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419978619 1194151320 /nfs/dbraw/zinc/15/13/20/1194151320.db2.gz OLFGUTIDISBOLK-KSZLIROESA-N 2 1 381.565 0.493 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419981256 1194151800 /nfs/dbraw/zinc/15/18/00/1194151800.db2.gz TWTFHOTZLGDALU-GHTZIAJQSA-N 2 1 390.528 0.571 20 0 GCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419988599 1194153453 /nfs/dbraw/zinc/15/34/53/1194153453.db2.gz ZTPHAQNYNJUQJD-QZTJIDSGSA-N 2 1 379.549 0.121 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419991726 1194153927 /nfs/dbraw/zinc/15/39/27/1194153927.db2.gz HCYYXUZMOYWINA-ZDUSSCGKSA-N 2 1 382.427 0.199 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419998639 1194154964 /nfs/dbraw/zinc/15/49/64/1194154964.db2.gz NGOXPPZBSIRADA-IBGZPJMESA-N 2 1 389.544 0.362 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419998640 1194155098 /nfs/dbraw/zinc/15/50/98/1194155098.db2.gz NGOXPPZBSIRADA-LJQANCHMSA-N 2 1 389.544 0.362 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419999551 1194155486 /nfs/dbraw/zinc/15/54/86/1194155486.db2.gz NAHYEWAYWPASTR-RXVVDRJESA-N 2 1 388.512 0.340 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000420009008 1194157027 /nfs/dbraw/zinc/15/70/27/1194157027.db2.gz CFVXSMONGDNNEM-DFBDCSAJSA-N 2 1 380.533 0.720 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)c1 ZINC000420012535 1194162020 /nfs/dbraw/zinc/16/20/20/1194162020.db2.gz BAORRPIPYUKPES-HUUCEWRRSA-N 2 1 375.473 0.268 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)c1 ZINC000420012533 1194162273 /nfs/dbraw/zinc/16/22/73/1194162273.db2.gz BAORRPIPYUKPES-CABCVRRESA-N 2 1 375.473 0.268 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000420062907 1194164941 /nfs/dbraw/zinc/16/49/41/1194164941.db2.gz SCBGMBDCWROQSH-IBGZPJMESA-N 2 1 398.507 0.871 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420055528 1194171113 /nfs/dbraw/zinc/17/11/13/1194171113.db2.gz AAEHHJPNXDDFSK-MVJTYMMSSA-N 2 1 380.533 0.720 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420055528 1194171114 /nfs/dbraw/zinc/17/11/14/1194171114.db2.gz AAEHHJPNXDDFSK-MVJTYMMSSA-N 2 1 380.533 0.720 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420084514 1194174508 /nfs/dbraw/zinc/17/45/08/1194174508.db2.gz ABKOXTUYQZTDHU-ZWKOTPCHSA-N 2 1 393.576 0.780 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420100187 1194177851 /nfs/dbraw/zinc/17/78/51/1194177851.db2.gz KHWGULATZYFOPT-PFRQMTDMSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000420100187 1194177853 /nfs/dbraw/zinc/17/78/53/1194177853.db2.gz KHWGULATZYFOPT-PFRQMTDMSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420111447 1194181484 /nfs/dbraw/zinc/18/14/84/1194181484.db2.gz WUAURXQPYVYLRP-FVJLSDCUSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC3(C)CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420093607 1194183701 /nfs/dbraw/zinc/18/37/01/1194183701.db2.gz WYXFNXUIYLTRDR-CALCHBBNSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420119167 1194187108 /nfs/dbraw/zinc/18/71/08/1194187108.db2.gz NEXKAVFMLUFYCT-BLIXFSHQSA-N 2 1 388.512 0.196 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000420119139 1194187228 /nfs/dbraw/zinc/18/72/28/1194187228.db2.gz IXXWYCQFVOCHQB-ROUUACIJSA-N 2 1 387.528 0.524 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420125438 1194188877 /nfs/dbraw/zinc/18/88/77/1194188877.db2.gz PVOHTFHNXLIBQF-GHTZIAJQSA-N 2 1 390.528 0.716 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420139908 1194192420 /nfs/dbraw/zinc/19/24/20/1194192420.db2.gz PEAGNCMXYIJIQX-UHFFFAOYSA-N 2 1 385.512 0.303 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000420181438 1194197298 /nfs/dbraw/zinc/19/72/98/1194197298.db2.gz IFGWNLGJCNYGBG-UHFFFAOYSA-N 2 1 398.507 0.836 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420184722 1194198582 /nfs/dbraw/zinc/19/85/82/1194198582.db2.gz BBBGCWNWLDVBII-MSOLQXFVSA-N 2 1 387.528 0.511 20 0 GCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814876 1194199061 /nfs/dbraw/zinc/19/90/61/1194199061.db2.gz JVONRHFWXKRKAD-JQHSSLGASA-N 2 1 388.516 0.496 20 0 GCADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420168582 1194200115 /nfs/dbraw/zinc/20/01/15/1194200115.db2.gz LBSLXGHSYQFBRL-UHFFFAOYSA-N 2 1 383.443 0.857 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000420169350 1194200166 /nfs/dbraw/zinc/20/01/66/1194200166.db2.gz VMKYEMFBZKOXGC-NUJGCVRESA-N 2 1 378.517 0.513 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000420173357 1194201441 /nfs/dbraw/zinc/20/14/41/1194201441.db2.gz VBHCVUAJLLSFFA-QGZVFWFLSA-N 2 1 382.549 0.842 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420206443 1194205511 /nfs/dbraw/zinc/20/55/11/1194205511.db2.gz JVYUVIVTWKXAQV-VAMGGRTRSA-N 2 1 384.524 0.878 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420188516 1194206127 /nfs/dbraw/zinc/20/61/27/1194206127.db2.gz NALLDAOBBNWZTR-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420194689 1194209053 /nfs/dbraw/zinc/20/90/53/1194209053.db2.gz SSRKROOSSWRZHR-PKOBYXMFSA-N 2 1 394.560 0.984 20 0 GCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624370 1194210472 /nfs/dbraw/zinc/21/04/72/1194210472.db2.gz NSCIUXJPHZHAPA-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619562 1194214627 /nfs/dbraw/zinc/21/46/27/1194214627.db2.gz CCCAJQWVROXVJI-HKUYNNGSSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000501619562 1194214630 /nfs/dbraw/zinc/21/46/30/1194214630.db2.gz CCCAJQWVROXVJI-HKUYNNGSSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000501619562 1194214634 /nfs/dbraw/zinc/21/46/34/1194214634.db2.gz CCCAJQWVROXVJI-HKUYNNGSSA-N 2 1 394.560 0.984 20 0 GCADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501642038 1194217965 /nfs/dbraw/zinc/21/79/65/1194217965.db2.gz QIUIAHAAQLTYRW-KRWDZBQOSA-N 2 1 380.533 0.282 20 0 GCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501642038 1194217969 /nfs/dbraw/zinc/21/79/69/1194217969.db2.gz QIUIAHAAQLTYRW-KRWDZBQOSA-N 2 1 380.533 0.282 20 0 GCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501642038 1194217973 /nfs/dbraw/zinc/21/79/73/1194217973.db2.gz QIUIAHAAQLTYRW-KRWDZBQOSA-N 2 1 380.533 0.282 20 0 GCADMP C[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C[C@@H](O)C[NH3+] ZINC000420348759 1194222300 /nfs/dbraw/zinc/22/23/00/1194222300.db2.gz AUJUWXASKREWLE-HNNXBMFYSA-N 2 1 384.502 0.051 20 0 GCADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347246 1194222538 /nfs/dbraw/zinc/22/25/38/1194222538.db2.gz FYULBXMLLCHWPS-QGZVFWFLSA-N 2 1 376.501 0.560 20 0 GCADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347246 1194222539 /nfs/dbraw/zinc/22/25/39/1194222539.db2.gz FYULBXMLLCHWPS-QGZVFWFLSA-N 2 1 376.501 0.560 20 0 GCADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000420359597 1194223713 /nfs/dbraw/zinc/22/37/13/1194223713.db2.gz GDZIMOKWBWRDQG-LBTNJELSSA-N 2 1 382.530 0.359 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400834 1194225644 /nfs/dbraw/zinc/22/56/44/1194225644.db2.gz IRXKTMZQTJOKHN-IJEWVQPXSA-N 2 1 382.530 0.298 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400834 1194225645 /nfs/dbraw/zinc/22/56/45/1194225645.db2.gz IRXKTMZQTJOKHN-IJEWVQPXSA-N 2 1 382.530 0.298 20 0 GCADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420374239 1194227319 /nfs/dbraw/zinc/22/73/19/1194227319.db2.gz HFPNVMAGSXGISM-IRXDYDNUSA-N 2 1 394.541 0.436 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420374239 1194227324 /nfs/dbraw/zinc/22/73/24/1194227324.db2.gz HFPNVMAGSXGISM-IRXDYDNUSA-N 2 1 394.541 0.436 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407555 1194229145 /nfs/dbraw/zinc/22/91/45/1194229145.db2.gz OLDIGUTWNYPECK-ORIJERBGSA-N 2 1 382.530 0.816 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407555 1194229149 /nfs/dbraw/zinc/22/91/49/1194229149.db2.gz OLDIGUTWNYPECK-ORIJERBGSA-N 2 1 382.530 0.816 20 0 GCADMP COc1cccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[NH+](C)C)c1 ZINC000420849909 1194269024 /nfs/dbraw/zinc/26/90/24/1194269024.db2.gz UWJURLZLLMMMIL-FUHWJXTLSA-N 2 1 376.501 0.967 20 0 GCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000983074364 1194368920 /nfs/dbraw/zinc/36/89/20/1194368920.db2.gz SRXPTEPBQDYNAM-BRSBDYLESA-N 2 1 391.516 0.511 20 0 GCADMP CCO[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983074364 1194368925 /nfs/dbraw/zinc/36/89/25/1194368925.db2.gz SRXPTEPBQDYNAM-BRSBDYLESA-N 2 1 391.516 0.511 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422101227 1194385108 /nfs/dbraw/zinc/38/51/08/1194385108.db2.gz FHRRPXZTXDOUKP-GOSISDBHSA-N 2 1 398.548 0.125 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103441 1194385827 /nfs/dbraw/zinc/38/58/27/1194385827.db2.gz GSESGRVOQJQIQU-SJLPKXTDSA-N 2 1 379.549 0.166 20 0 GCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422136090 1194397786 /nfs/dbraw/zinc/39/77/86/1194397786.db2.gz KQHWUNXSEJYWTF-GUDVDZBRSA-N 2 1 393.576 0.556 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422145318 1194399650 /nfs/dbraw/zinc/39/96/50/1194399650.db2.gz ULNFTKRJEVEGSO-MHORFTMASA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422145318 1194399656 /nfs/dbraw/zinc/39/96/56/1194399656.db2.gz ULNFTKRJEVEGSO-MHORFTMASA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000422145318 1194399658 /nfs/dbraw/zinc/39/96/58/1194399658.db2.gz ULNFTKRJEVEGSO-MHORFTMASA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000422145318 1194399662 /nfs/dbraw/zinc/39/96/62/1194399662.db2.gz ULNFTKRJEVEGSO-MHORFTMASA-N 2 1 380.533 0.639 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652728583 1194442466 /nfs/dbraw/zinc/44/24/66/1194442466.db2.gz QZXAGFAVHAEJPN-KSZLIROESA-N 2 1 380.533 0.674 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272274773 1194445381 /nfs/dbraw/zinc/44/53/81/1194445381.db2.gz BZWNFNPCMOIKTB-RHSMWYFYSA-N 2 1 387.484 0.678 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272274773 1194445397 /nfs/dbraw/zinc/44/53/97/1194445397.db2.gz BZWNFNPCMOIKTB-RHSMWYFYSA-N 2 1 387.484 0.678 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272719224 1194490660 /nfs/dbraw/zinc/49/06/60/1194490660.db2.gz BOPJQHSJTAQYEN-OALUTQOASA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272719224 1194490668 /nfs/dbraw/zinc/49/06/68/1194490668.db2.gz BOPJQHSJTAQYEN-OALUTQOASA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272719224 1194490671 /nfs/dbraw/zinc/49/06/71/1194490671.db2.gz BOPJQHSJTAQYEN-OALUTQOASA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000273010418 1194530583 /nfs/dbraw/zinc/53/05/83/1194530583.db2.gz RDLROHHIYXBFQI-UXHICEINSA-N 2 1 389.544 0.688 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000273010418 1194530586 /nfs/dbraw/zinc/53/05/86/1194530586.db2.gz RDLROHHIYXBFQI-UXHICEINSA-N 2 1 389.544 0.688 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1)C[NH+]1CCOCC1 ZINC000422281800 1194600770 /nfs/dbraw/zinc/60/07/70/1194600770.db2.gz KANBCGGPIWPECT-MRXNPFEDSA-N 2 1 396.557 0.723 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422296752 1194607069 /nfs/dbraw/zinc/60/70/69/1194607069.db2.gz HTOQCPUSSRSDCC-MRXNPFEDSA-N 2 1 382.549 0.933 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000422395135 1194635385 /nfs/dbraw/zinc/63/53/85/1194635385.db2.gz IMJCEHHRFYZKGQ-OTWHNJEPSA-N 2 1 394.560 0.812 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000664319439 1194670346 /nfs/dbraw/zinc/67/03/46/1194670346.db2.gz XJOWDTIIVDESQK-UHFFFAOYSA-N 2 1 381.496 0.919 20 0 GCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000414695815 1194701788 /nfs/dbraw/zinc/70/17/88/1194701788.db2.gz FKKNRKQURSILSV-HXUWFJFHSA-N 2 1 396.491 0.880 20 0 GCADMP CCOc1ccnc(N2CCC[N@@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414711334 1194717062 /nfs/dbraw/zinc/71/70/62/1194717062.db2.gz RFXHUDQNYBUOEK-INIZCTEOSA-N 2 1 376.505 0.585 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423047638 1194718751 /nfs/dbraw/zinc/71/87/51/1194718751.db2.gz HKJRAAKQVLWKCT-GOSISDBHSA-N 2 1 388.512 0.797 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423047638 1194718756 /nfs/dbraw/zinc/71/87/56/1194718756.db2.gz HKJRAAKQVLWKCT-GOSISDBHSA-N 2 1 388.512 0.797 20 0 GCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)C[C@H]21 ZINC000423038790 1194720602 /nfs/dbraw/zinc/72/06/02/1194720602.db2.gz PBILKXSKBCHFCT-XUVXKRRUSA-N 2 1 384.524 0.959 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423042724 1194722013 /nfs/dbraw/zinc/72/20/13/1194722013.db2.gz ZZTKIVOQQQVJQM-HXUWFJFHSA-N 2 1 399.539 0.227 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423042723 1194722036 /nfs/dbraw/zinc/72/20/36/1194722036.db2.gz ZZTKIVOQQQVJQM-FQEVSTJZSA-N 2 1 399.539 0.227 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000423049572 1194724893 /nfs/dbraw/zinc/72/48/93/1194724893.db2.gz KGHWUMGNNGYYIL-QFBILLFUSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000423049572 1194724899 /nfs/dbraw/zinc/72/48/99/1194724899.db2.gz KGHWUMGNNGYYIL-QFBILLFUSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000423049571 1194725019 /nfs/dbraw/zinc/72/50/19/1194725019.db2.gz KGHWUMGNNGYYIL-LPHOPBHVSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)cc1 ZINC000423049571 1194725020 /nfs/dbraw/zinc/72/50/20/1194725020.db2.gz KGHWUMGNNGYYIL-LPHOPBHVSA-N 2 1 388.512 0.925 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423115758 1194727662 /nfs/dbraw/zinc/72/76/62/1194727662.db2.gz ODKNQENHHWXSHB-CVEARBPZSA-N 2 1 376.526 0.503 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423102867 1194727987 /nfs/dbraw/zinc/72/79/87/1194727987.db2.gz AFPMSCXASREPLT-CVEARBPZSA-N 2 1 376.526 0.503 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423163786 1194734579 /nfs/dbraw/zinc/73/45/79/1194734579.db2.gz NJAKHHFCKBOTBN-ZWKOTPCHSA-N 2 1 389.500 0.081 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423194978 1194738265 /nfs/dbraw/zinc/73/82/65/1194738265.db2.gz ZVQSZMHCDKKAPY-UONOGXRCSA-N 2 1 394.438 0.295 20 0 GCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423241342 1194743013 /nfs/dbraw/zinc/74/30/13/1194743013.db2.gz LKRCQPPTTOZHQU-IBGZPJMESA-N 2 1 388.512 0.543 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@@H+]1CCOC ZINC000423274402 1194745920 /nfs/dbraw/zinc/74/59/20/1194745920.db2.gz KITVITPFTLHFFT-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@H+]1CCOC ZINC000423274402 1194745921 /nfs/dbraw/zinc/74/59/21/1194745921.db2.gz KITVITPFTLHFFT-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423294389 1194747523 /nfs/dbraw/zinc/74/75/23/1194747523.db2.gz UJSVSPKIQAPAIN-BHIYHBOVSA-N 2 1 388.512 0.684 20 0 GCADMP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414737715 1194752558 /nfs/dbraw/zinc/75/25/58/1194752558.db2.gz OIQVTAVPJXMPIT-OAHLLOKOSA-N 2 1 390.484 0.916 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423388068 1194752819 /nfs/dbraw/zinc/75/28/19/1194752819.db2.gz MPAKFZXQPYFVOC-BZSNNMDCSA-N 2 1 392.544 0.546 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423394313 1194753327 /nfs/dbraw/zinc/75/33/27/1194753327.db2.gz RDJHYXLARBNBQA-UHFFFAOYSA-N 2 1 375.517 0.335 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000414740947 1194753975 /nfs/dbraw/zinc/75/39/75/1194753975.db2.gz RLPICJMSVNTUCD-OAHLLOKOSA-N 2 1 388.468 0.370 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423402210 1194754662 /nfs/dbraw/zinc/75/46/62/1194754662.db2.gz WOSVYWMUWICZFP-RBUKOAKNSA-N 2 1 399.539 0.335 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423403049 1194754818 /nfs/dbraw/zinc/75/48/18/1194754818.db2.gz XASNQBFTKXRTJF-IEBWSBKVSA-N 2 1 387.528 0.463 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423402211 1194754824 /nfs/dbraw/zinc/75/48/24/1194754824.db2.gz WOSVYWMUWICZFP-RTBURBONSA-N 2 1 399.539 0.335 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000423443874 1194755804 /nfs/dbraw/zinc/75/58/04/1194755804.db2.gz KWKARJAKZALXAC-RBUKOAKNSA-N 2 1 394.560 0.651 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423452458 1194756419 /nfs/dbraw/zinc/75/64/19/1194756419.db2.gz WJVXTZHUAIEMSI-BBWFWOEESA-N 2 1 380.533 0.389 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423431133 1194756844 /nfs/dbraw/zinc/75/68/44/1194756844.db2.gz ALUSWWWBSPASLN-FHLIZLRMSA-N 2 1 376.476 0.879 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)CC1 ZINC000423441617 1194757574 /nfs/dbraw/zinc/75/75/74/1194757574.db2.gz JBRXJWLCMANVHT-IAGOWNOFSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423500622 1194759551 /nfs/dbraw/zinc/75/95/51/1194759551.db2.gz KOVHABWDRFSSMG-WMZOPIPTSA-N 2 1 380.533 0.676 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423500621 1194759650 /nfs/dbraw/zinc/75/96/50/1194759650.db2.gz KOVHABWDRFSSMG-SJLPKXTDSA-N 2 1 380.533 0.676 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497994 1194759740 /nfs/dbraw/zinc/75/97/40/1194759740.db2.gz AUWRMCGUFMPEKK-SZMVWBNQSA-N 2 1 379.549 0.342 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423505655 1194759890 /nfs/dbraw/zinc/75/98/90/1194759890.db2.gz OQMCCCMQTCLYRD-SCTDSRPQSA-N 2 1 394.560 0.792 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@@H+]1CCOC ZINC000423518375 1194762678 /nfs/dbraw/zinc/76/26/78/1194762678.db2.gz COIPLXJMMCQWQI-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@H+]1CCOC ZINC000423518375 1194762680 /nfs/dbraw/zinc/76/26/80/1194762680.db2.gz COIPLXJMMCQWQI-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423589636 1194766538 /nfs/dbraw/zinc/76/65/38/1194766538.db2.gz AIIMLWBQDZIPJR-FGTMMUONSA-N 2 1 379.549 0.214 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423572965 1194768580 /nfs/dbraw/zinc/76/85/80/1194768580.db2.gz QLCDAKLQSWEHSX-NQIIRXRSSA-N 2 1 388.512 0.292 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423576256 1194769420 /nfs/dbraw/zinc/76/94/20/1194769420.db2.gz XUIBFMOSFYOVFK-NRFANRHFSA-N 2 1 388.512 0.279 20 0 GCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423610605 1194773066 /nfs/dbraw/zinc/77/30/66/1194773066.db2.gz REBMGMYUNGONOP-UYAOXDASSA-N 2 1 399.539 0.225 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423593509 1194774466 /nfs/dbraw/zinc/77/44/66/1194774466.db2.gz MHYYIXAXMGYIDS-GHTZIAJQSA-N 2 1 388.512 0.292 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423593510 1194774481 /nfs/dbraw/zinc/77/44/81/1194774481.db2.gz MHYYIXAXMGYIDS-NQIIRXRSSA-N 2 1 388.512 0.292 20 0 GCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643908 1194777158 /nfs/dbraw/zinc/77/71/58/1194777158.db2.gz XSNYFEGUSQEIHU-VQTJNVASSA-N 2 1 399.539 0.212 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423646978 1194777492 /nfs/dbraw/zinc/77/74/92/1194777492.db2.gz MNJMKFBVNLUTNG-SOLBZPMBSA-N 2 1 380.533 0.674 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423622296 1194777886 /nfs/dbraw/zinc/77/78/86/1194777886.db2.gz YUEXKHCNVURXBP-SOLBZPMBSA-N 2 1 380.533 0.545 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423624864 1194778237 /nfs/dbraw/zinc/77/82/37/1194778237.db2.gz QFLDUSSSSYPFBH-LJQANCHMSA-N 2 1 387.528 0.607 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423657183 1194780353 /nfs/dbraw/zinc/78/03/53/1194780353.db2.gz VOOSRINULMWEHA-ZWKOTPCHSA-N 2 1 387.528 0.463 20 0 GCADMP CCCN(C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]1CC[NH2+]C1 ZINC000423660702 1194781012 /nfs/dbraw/zinc/78/10/12/1194781012.db2.gz KSHHCWACXZDUMA-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000423669207 1194782479 /nfs/dbraw/zinc/78/24/79/1194782479.db2.gz RTCCNJZLPNCMSR-MRXNPFEDSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000423669207 1194782481 /nfs/dbraw/zinc/78/24/81/1194782481.db2.gz RTCCNJZLPNCMSR-MRXNPFEDSA-N 2 1 376.501 0.278 20 0 GCADMP O=C(C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423693286 1194783059 /nfs/dbraw/zinc/78/30/59/1194783059.db2.gz RVAVUAXKDSDFCM-YSTOQKLRSA-N 2 1 382.508 0.645 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423701205 1194783758 /nfs/dbraw/zinc/78/37/58/1194783758.db2.gz VEAWXVJAMPZWSI-GUDVDZBRSA-N 2 1 386.496 0.153 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000423701206 1194783821 /nfs/dbraw/zinc/78/38/21/1194783821.db2.gz VEAWXVJAMPZWSI-IPMKNSEASA-N 2 1 386.496 0.153 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688794 1194786380 /nfs/dbraw/zinc/78/63/80/1194786380.db2.gz XRNMZZUCEMJPLT-AZUAARDMSA-N 2 1 399.539 0.225 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000423743284 1194791215 /nfs/dbraw/zinc/79/12/15/1194791215.db2.gz ZZSOQMKRJKQYCO-MSOLQXFVSA-N 2 1 380.533 0.404 20 0 GCADMP [NH3+]CC[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(F)(F)F ZINC000423750673 1194791728 /nfs/dbraw/zinc/79/17/28/1194791728.db2.gz VCVLFGCGDGLSRW-CHWSQXEVSA-N 2 1 380.411 0.096 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000424495171 1194817742 /nfs/dbraw/zinc/81/77/42/1194817742.db2.gz PPFAYQUBZWOTRL-KRWDZBQOSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424504651 1194818945 /nfs/dbraw/zinc/81/89/45/1194818945.db2.gz JWJSEUMTOKIOLK-IAGOWNOFSA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424518238 1194821213 /nfs/dbraw/zinc/82/12/13/1194821213.db2.gz HOKWXSWDBYTMJA-QZTJIDSGSA-N 2 1 393.576 0.367 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC[N@@H+](C)C3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000424522660 1194821600 /nfs/dbraw/zinc/82/16/00/1194821600.db2.gz NEYXCKVILWSMQV-ZWKOTPCHSA-N 2 1 390.532 0.444 20 0 GCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424554122 1194824609 /nfs/dbraw/zinc/82/46/09/1194824609.db2.gz RUCABFJWLFKEBK-BHYGNILZSA-N 2 1 390.532 0.300 20 0 GCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424561376 1194824806 /nfs/dbraw/zinc/82/48/06/1194824806.db2.gz YTDLIVZRPJKIQW-FGTMMUONSA-N 2 1 390.532 0.444 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000514586956 1194885798 /nfs/dbraw/zinc/88/57/98/1194885798.db2.gz GIWMHNVIASDFPX-SFHVURJKSA-N 2 1 381.565 0.957 20 0 GCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)CC2)c1 ZINC000514606365 1194887272 /nfs/dbraw/zinc/88/72/72/1194887272.db2.gz TTXIJGCRGXMEDB-LEWJYISDSA-N 2 1 396.539 0.799 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667622 1194893047 /nfs/dbraw/zinc/89/30/47/1194893047.db2.gz CGFLZPYHTYLASV-WTGUMLROSA-N 2 1 382.508 0.645 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664475068 1194897923 /nfs/dbraw/zinc/89/79/23/1194897923.db2.gz LTCPDNXHFQRXAE-XUVXKRRUSA-N 2 1 394.560 0.995 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000514726105 1194898992 /nfs/dbraw/zinc/89/89/92/1194898992.db2.gz VFIYDAPBLZBJHX-WMZOPIPTSA-N 2 1 397.483 0.732 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000514726105 1194898998 /nfs/dbraw/zinc/89/89/98/1194898998.db2.gz VFIYDAPBLZBJHX-WMZOPIPTSA-N 2 1 397.483 0.732 20 0 GCADMP O=C(CN1C(=O)NC2(CC[NH2+]CC2)C1=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000514789235 1194909451 /nfs/dbraw/zinc/90/94/51/1194909451.db2.gz IMUDQJWSVIWMRI-UHFFFAOYSA-N 2 1 385.468 0.005 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000514886527 1194925260 /nfs/dbraw/zinc/92/52/60/1194925260.db2.gz DRNJGTDGXNMSLG-NEPXVJNWSA-N 2 1 391.560 0.070 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000514886526 1194925494 /nfs/dbraw/zinc/92/54/94/1194925494.db2.gz DRNJGTDGXNMSLG-KCITZHQASA-N 2 1 391.560 0.070 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000425378760 1194931045 /nfs/dbraw/zinc/93/10/45/1194931045.db2.gz CIDGIJGQAXNZKQ-KRWDZBQOSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCN1C1CC[NH+](C)CC1 ZINC000425378298 1194931058 /nfs/dbraw/zinc/93/10/58/1194931058.db2.gz BXGVKCZJJYWTLV-JENIJYKNSA-N 2 1 391.560 0.166 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425381265 1194932773 /nfs/dbraw/zinc/93/27/73/1194932773.db2.gz FSEGBILRUMKQJC-IRXDYDNUSA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425381265 1194932775 /nfs/dbraw/zinc/93/27/75/1194932775.db2.gz FSEGBILRUMKQJC-IRXDYDNUSA-N 2 1 382.549 0.887 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)N1CCO ZINC000514999965 1194935891 /nfs/dbraw/zinc/93/58/91/1194935891.db2.gz QKABKTQTFHHELK-ZMMAXQRCSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@H+]1CCO ZINC000514999965 1194935893 /nfs/dbraw/zinc/93/58/93/1194935893.db2.gz QKABKTQTFHHELK-ZMMAXQRCSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000514999965 1194935894 /nfs/dbraw/zinc/93/58/94/1194935894.db2.gz QKABKTQTFHHELK-ZMMAXQRCSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999965 1194935897 /nfs/dbraw/zinc/93/58/97/1194935897.db2.gz QKABKTQTFHHELK-ZMMAXQRCSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999965 1194935898 /nfs/dbraw/zinc/93/58/98/1194935898.db2.gz QKABKTQTFHHELK-ZMMAXQRCSA-N 2 1 392.544 0.375 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCN(C)CC1 ZINC000515140879 1194948560 /nfs/dbraw/zinc/94/85/60/1194948560.db2.gz ARUMAXSICHYVKA-UHFFFAOYSA-N 2 1 391.516 0.449 20 0 GCADMP CCN1CCC([NH+]2CCC(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000515310909 1194967811 /nfs/dbraw/zinc/96/78/11/1194967811.db2.gz ZHBLEQYDNPGPLD-LJQANCHMSA-N 2 1 393.576 0.639 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000505731780 1194977099 /nfs/dbraw/zinc/97/70/99/1194977099.db2.gz QMIAUZVLXLVKAF-INIZCTEOSA-N 2 1 381.521 0.535 20 0 GCADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436052217 1194982077 /nfs/dbraw/zinc/98/20/77/1194982077.db2.gz CHCKTTLWNXPTOT-MRXNPFEDSA-N 2 1 375.473 0.434 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1 ZINC000515576115 1194985528 /nfs/dbraw/zinc/98/55/28/1194985528.db2.gz CLSBQISOTJUPCJ-LJQANCHMSA-N 2 1 386.456 0.492 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000515701355 1194991895 /nfs/dbraw/zinc/99/18/95/1194991895.db2.gz NOZJONHNSMPGQJ-FHWLQOOXSA-N 2 1 394.560 0.813 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000515701360 1194991916 /nfs/dbraw/zinc/99/19/16/1194991916.db2.gz NOZJONHNSMPGQJ-OTWHNJEPSA-N 2 1 394.560 0.813 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000515701359 1194992092 /nfs/dbraw/zinc/99/20/92/1194992092.db2.gz NOZJONHNSMPGQJ-IPMKNSEASA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000436256428 1194993454 /nfs/dbraw/zinc/99/34/54/1194993454.db2.gz BNDTWGFGRWORGH-JKSUJKDBSA-N 2 1 383.537 0.060 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549980644 1195002253 /nfs/dbraw/zinc/00/22/53/1195002253.db2.gz VOIACKUDBIMLJI-HZPDHXFCSA-N 2 1 382.549 0.979 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CC1)[NH+](C)C ZINC000516198041 1195031091 /nfs/dbraw/zinc/03/10/91/1195031091.db2.gz XBAQRWDMQBSTDN-KRWDZBQOSA-N 2 1 376.501 0.967 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC1)[NH+](C)C ZINC000516198041 1195031095 /nfs/dbraw/zinc/03/10/95/1195031095.db2.gz XBAQRWDMQBSTDN-KRWDZBQOSA-N 2 1 376.501 0.967 20 0 GCADMP [NH3+]CCOCC[N@@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000516292914 1195039446 /nfs/dbraw/zinc/03/94/46/1195039446.db2.gz KXWVACKQEPGOEY-UHFFFAOYSA-N 2 1 378.498 0.907 20 0 GCADMP [NH3+]CCOCC[N@H+]1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000516292914 1195039450 /nfs/dbraw/zinc/03/94/50/1195039450.db2.gz KXWVACKQEPGOEY-UHFFFAOYSA-N 2 1 378.498 0.907 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000516633871 1195079360 /nfs/dbraw/zinc/07/93/60/1195079360.db2.gz CBFQPSAALVPXEN-QGZVFWFLSA-N 2 1 389.500 0.980 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517020294 1195125211 /nfs/dbraw/zinc/12/52/11/1195125211.db2.gz RSMPZUFNCOZNFI-JKSUJKDBSA-N 2 1 395.573 0.642 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000425865660 1195141285 /nfs/dbraw/zinc/14/12/85/1195141285.db2.gz DNWNTAOLFHMVBH-UHFFFAOYSA-N 2 1 380.533 0.546 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000425885605 1195151912 /nfs/dbraw/zinc/15/19/12/1195151912.db2.gz PCGCOJPEIZOHPX-DLBZAZTESA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000425885605 1195151914 /nfs/dbraw/zinc/15/19/14/1195151914.db2.gz PCGCOJPEIZOHPX-DLBZAZTESA-N 2 1 382.549 0.792 20 0 GCADMP O=C(C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000517229891 1195159349 /nfs/dbraw/zinc/15/93/49/1195159349.db2.gz FYCLQXHLGRZDDM-XQBPLPMBSA-N 2 1 382.508 0.789 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000425909455 1195164937 /nfs/dbraw/zinc/16/49/37/1195164937.db2.gz OXJOSHBGCYTJAE-MRXNPFEDSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000425909455 1195164940 /nfs/dbraw/zinc/16/49/40/1195164940.db2.gz OXJOSHBGCYTJAE-MRXNPFEDSA-N 2 1 382.549 0.792 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1 ZINC000517395883 1195178475 /nfs/dbraw/zinc/17/84/75/1195178475.db2.gz UCMNRMUIXFLEOX-PMACEKPBSA-N 2 1 399.539 0.273 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000517585481 1195195459 /nfs/dbraw/zinc/19/54/59/1195195459.db2.gz DBLWKSFHNXZPCV-MRXNPFEDSA-N 3 1 381.565 0.365 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000517585480 1195195566 /nfs/dbraw/zinc/19/55/66/1195195566.db2.gz DBLWKSFHNXZPCV-INIZCTEOSA-N 3 1 381.565 0.365 20 0 GCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517668748 1195205385 /nfs/dbraw/zinc/20/53/85/1195205385.db2.gz XOGLXTPSICNFMH-GUDVDZBRSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517668748 1195205387 /nfs/dbraw/zinc/20/53/87/1195205387.db2.gz XOGLXTPSICNFMH-GUDVDZBRSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866907 1195226378 /nfs/dbraw/zinc/22/63/78/1195226378.db2.gz FILMLTIOWDMXSC-QZTJIDSGSA-N 2 1 397.564 0.620 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866907 1195226381 /nfs/dbraw/zinc/22/63/81/1195226381.db2.gz FILMLTIOWDMXSC-QZTJIDSGSA-N 2 1 397.564 0.620 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1CCOCC1 ZINC000518081826 1195246487 /nfs/dbraw/zinc/24/64/87/1195246487.db2.gz YRVRULBXUIOYJN-SJORKVTESA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000518081826 1195246492 /nfs/dbraw/zinc/24/64/92/1195246492.db2.gz YRVRULBXUIOYJN-SJORKVTESA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C)N(CCO)[C@@H](C)C2)C[C@H](C)N1CCO ZINC000518212070 1195267896 /nfs/dbraw/zinc/26/78/96/1195267896.db2.gz LUNXGULAHSYREV-FXELSEDVSA-N 2 1 384.609 0.931 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209399 1195294880 /nfs/dbraw/zinc/29/48/80/1195294880.db2.gz JTIOOFFSNAKQKE-KRWDZBQOSA-N 2 1 391.516 0.507 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@@H]1O ZINC000664749269 1195311490 /nfs/dbraw/zinc/31/14/90/1195311490.db2.gz FMLZMKOYBVLQBA-BZSNNMDCSA-N 2 1 378.542 0.920 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C[C@@H]1O ZINC000664749269 1195311494 /nfs/dbraw/zinc/31/14/94/1195311494.db2.gz FMLZMKOYBVLQBA-BZSNNMDCSA-N 2 1 378.542 0.920 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385643 1195320314 /nfs/dbraw/zinc/32/03/14/1195320314.db2.gz PRKCHYDIJAVQPF-MISYRCLQSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000426385643 1195320318 /nfs/dbraw/zinc/32/03/18/1195320318.db2.gz PRKCHYDIJAVQPF-MISYRCLQSA-N 2 1 390.528 0.889 20 0 GCADMP C[NH+]1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434372 1195335287 /nfs/dbraw/zinc/33/52/87/1195335287.db2.gz YEYOOPHIGMTGQN-IRXDYDNUSA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@H]1CNC(=O)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434372 1195335292 /nfs/dbraw/zinc/33/52/92/1195335292.db2.gz YEYOOPHIGMTGQN-IRXDYDNUSA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@H]1CNC(=O)CC1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434372 1195335296 /nfs/dbraw/zinc/33/52/96/1195335296.db2.gz YEYOOPHIGMTGQN-IRXDYDNUSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000518832850 1195338100 /nfs/dbraw/zinc/33/81/00/1195338100.db2.gz WYAKOSHTSBBYJR-ULQDDVLXSA-N 2 1 378.517 0.299 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426564792 1195380671 /nfs/dbraw/zinc/38/06/71/1195380671.db2.gz INSQZQDXIDACKH-RBUKOAKNSA-N 2 1 382.549 0.852 20 0 GCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519530043 1195426081 /nfs/dbraw/zinc/42/60/81/1195426081.db2.gz HOKJKJGWXIYBLM-YTQUADARSA-N 2 1 375.517 0.479 20 0 GCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519530043 1195426083 /nfs/dbraw/zinc/42/60/83/1195426083.db2.gz HOKJKJGWXIYBLM-YTQUADARSA-N 2 1 375.517 0.479 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550092953 1195434223 /nfs/dbraw/zinc/43/42/23/1195434223.db2.gz AVHIJGXILZQGPO-GOSISDBHSA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000550096656 1195434251 /nfs/dbraw/zinc/43/42/51/1195434251.db2.gz KWYOCXNHSOYVLL-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000110997911 1195434283 /nfs/dbraw/zinc/43/42/83/1195434283.db2.gz FFVBEBCKTHNQFN-ROUUACIJSA-N 2 1 382.549 0.984 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000550095952 1195435002 /nfs/dbraw/zinc/43/50/02/1195435002.db2.gz JGWGFRAAQAAWOQ-ROUUACIJSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550095952 1195435005 /nfs/dbraw/zinc/43/50/05/1195435005.db2.gz JGWGFRAAQAAWOQ-ROUUACIJSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550095952 1195435008 /nfs/dbraw/zinc/43/50/08/1195435008.db2.gz JGWGFRAAQAAWOQ-ROUUACIJSA-N 2 1 382.549 0.840 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000550129077 1195444337 /nfs/dbraw/zinc/44/43/37/1195444337.db2.gz DAYULRJARBRLQV-QGZVFWFLSA-N 2 1 381.565 0.367 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000550133447 1195445646 /nfs/dbraw/zinc/44/56/46/1195445646.db2.gz OVONSNWLEIVIHT-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000550133447 1195445650 /nfs/dbraw/zinc/44/56/50/1195445650.db2.gz OVONSNWLEIVIHT-UHFFFAOYSA-N 3 1 381.565 0.461 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000550202548 1195460130 /nfs/dbraw/zinc/46/01/30/1195460130.db2.gz AXSUKKIYQVZBNP-IAGOWNOFSA-N 2 1 382.549 0.935 20 0 GCADMP CC[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000519593203 1195500568 /nfs/dbraw/zinc/50/05/68/1195500568.db2.gz XRUIPLZUEVNIQE-RBUKOAKNSA-N 2 1 387.528 0.041 20 0 GCADMP COC(=O)C1(NC(=O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CCCCC1 ZINC000507402857 1195519965 /nfs/dbraw/zinc/51/99/65/1195519965.db2.gz LDCGQCDKFYQCIN-UHFFFAOYSA-N 2 1 396.532 0.368 20 0 GCADMP COC(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000427467850 1195543195 /nfs/dbraw/zinc/54/31/95/1195543195.db2.gz XAZIKTWYMNDFBS-QZTJIDSGSA-N 2 1 378.517 0.487 20 0 GCADMP C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@H](C)CO1 ZINC000664883777 1195551363 /nfs/dbraw/zinc/55/13/63/1195551363.db2.gz MUPDWNFYGLLBMW-VUCRHFMTSA-N 2 1 395.548 0.478 20 0 GCADMP CC(C)[C@H](CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)N1CC[NH+](C)CC1 ZINC000473873180 1195553666 /nfs/dbraw/zinc/55/36/66/1195553666.db2.gz FYBZIMCAFYNIBB-SFHVURJKSA-N 2 1 383.581 0.793 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1)CC1CC1 ZINC000519698168 1195563589 /nfs/dbraw/zinc/56/35/89/1195563589.db2.gz LPGNAFRWNGCOAH-IBGZPJMESA-N 2 1 393.576 0.448 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000519754122 1195569430 /nfs/dbraw/zinc/56/94/30/1195569430.db2.gz BLHBQDNAJCMBGJ-OWCLPIDISA-N 2 1 393.557 0.396 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415560432 1195571320 /nfs/dbraw/zinc/57/13/20/1195571320.db2.gz FQDXOHKCELVGTN-OAHLLOKOSA-N 2 1 387.484 0.766 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@H]1C ZINC000441090981 1195602397 /nfs/dbraw/zinc/60/23/97/1195602397.db2.gz UNLVRMIOSIDNAG-CVEARBPZSA-N 2 1 392.504 0.095 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000520352979 1195624663 /nfs/dbraw/zinc/62/46/63/1195624663.db2.gz PMNWPTWCJVXINA-IBGZPJMESA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]1CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC[NH2+]1 ZINC000520373753 1195625695 /nfs/dbraw/zinc/62/56/95/1195625695.db2.gz DVNKJABNCAZJHX-INIZCTEOSA-N 2 1 389.500 0.851 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520378230 1195628438 /nfs/dbraw/zinc/62/84/38/1195628438.db2.gz BWABIHHEAIBTKN-LSDHHAIUSA-N 2 1 381.546 0.252 20 0 GCADMP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)N1CCOCC1 ZINC000550358798 1195643808 /nfs/dbraw/zinc/64/38/08/1195643808.db2.gz FJGKTBXVSPGFNT-ZWKOTPCHSA-N 2 1 382.549 0.648 20 0 GCADMP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)N1CCOCC1 ZINC000550358798 1195643809 /nfs/dbraw/zinc/64/38/09/1195643809.db2.gz FJGKTBXVSPGFNT-ZWKOTPCHSA-N 2 1 382.549 0.648 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000550369376 1195647230 /nfs/dbraw/zinc/64/72/30/1195647230.db2.gz STHNFEIBFGDZML-WBVHZDCISA-N 2 1 376.501 0.967 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550380893 1195648714 /nfs/dbraw/zinc/64/87/14/1195648714.db2.gz CEWVOGDGTTWDOW-MOPGFXCFSA-N 2 1 395.592 0.613 20 0 GCADMP C[NH+]1CC[C@H]2CN(c3nc(C(N)=O)cc(N4CC[C@@H]5[C@H](CC[N@@H+]5C)C4)n3)CC[C@H]21 ZINC000895020886 1195650755 /nfs/dbraw/zinc/65/07/55/1195650755.db2.gz CZLCGHPZDCSURS-CYGHRXIMSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@@H](CC[N@@H+]5C)C4)n3)CC[C@H]21 ZINC000895020886 1195650759 /nfs/dbraw/zinc/65/07/59/1195650759.db2.gz CZLCGHPZDCSURS-CYGHRXIMSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@@H](CC[N@H+]5C)C4)n3)CC[C@H]21 ZINC000895020886 1195650760 /nfs/dbraw/zinc/65/07/60/1195650760.db2.gz CZLCGHPZDCSURS-CYGHRXIMSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCCC[C@H]3C2)(N2CCOCC2)CC1 ZINC000334117268 1195693546 /nfs/dbraw/zinc/69/35/46/1195693546.db2.gz IDTKTTMRBNXSGR-SFHVURJKSA-N 2 1 379.549 0.663 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000248370802 1195702709 /nfs/dbraw/zinc/70/27/09/1195702709.db2.gz XYWKTDLBXASQRC-HOTGVXAUSA-N 2 1 376.505 0.637 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520447354 1195730794 /nfs/dbraw/zinc/73/07/94/1195730794.db2.gz DENLSXRNUPCJSZ-PKOBYXMFSA-N 2 1 390.528 0.802 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520447354 1195730796 /nfs/dbraw/zinc/73/07/96/1195730796.db2.gz DENLSXRNUPCJSZ-PKOBYXMFSA-N 2 1 390.528 0.802 20 0 GCADMP CC[C@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000458982097 1195743674 /nfs/dbraw/zinc/74/36/74/1195743674.db2.gz PQCPEUNWBGKVGZ-HZPDHXFCSA-N 2 1 391.582 0.372 20 0 GCADMP C[C@@H]1CN(CCCN2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000189930109 1195754738 /nfs/dbraw/zinc/75/47/38/1195754738.db2.gz PHNPAKQTXTZOFP-RTBURBONSA-N 2 1 384.609 0.931 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000895091910 1195803837 /nfs/dbraw/zinc/80/38/37/1195803837.db2.gz JYTZQSLJLINRFA-WNRNVDISSA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000895091910 1195803842 /nfs/dbraw/zinc/80/38/42/1195803842.db2.gz JYTZQSLJLINRFA-WNRNVDISSA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000895091910 1195803845 /nfs/dbraw/zinc/80/38/45/1195803845.db2.gz JYTZQSLJLINRFA-WNRNVDISSA-N 2 1 399.543 0.921 20 0 GCADMP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000520620630 1195804136 /nfs/dbraw/zinc/80/41/36/1195804136.db2.gz IIGBTZZDFJONRZ-WIYYLYMNSA-N 2 1 395.592 0.757 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000520654939 1195814407 /nfs/dbraw/zinc/81/44/07/1195814407.db2.gz RMKBSXOXBBBNCJ-JFIYKMOQSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000520654939 1195814410 /nfs/dbraw/zinc/81/44/10/1195814410.db2.gz RMKBSXOXBBBNCJ-JFIYKMOQSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654939 1195814412 /nfs/dbraw/zinc/81/44/12/1195814412.db2.gz RMKBSXOXBBBNCJ-JFIYKMOQSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654939 1195814418 /nfs/dbraw/zinc/81/44/18/1195814418.db2.gz RMKBSXOXBBBNCJ-JFIYKMOQSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000427702499 1195868073 /nfs/dbraw/zinc/86/80/73/1195868073.db2.gz UAEOBRPJMIMPSA-OAHLLOKOSA-N 2 1 398.467 0.918 20 0 GCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000441983621 1195938683 /nfs/dbraw/zinc/93/86/83/1195938683.db2.gz ZJGSOVASYRAUDX-MRXNPFEDSA-N 2 1 387.484 0.868 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000441988080 1195939274 /nfs/dbraw/zinc/93/92/74/1195939274.db2.gz MVAXVHIFDHDWFG-GOSISDBHSA-N 2 1 386.496 0.853 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000441988080 1195939276 /nfs/dbraw/zinc/93/92/76/1195939276.db2.gz MVAXVHIFDHDWFG-GOSISDBHSA-N 2 1 386.496 0.853 20 0 GCADMP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989981 1195947635 /nfs/dbraw/zinc/94/76/35/1195947635.db2.gz LQMHDJGEBCDRKQ-SJLPKXTDSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989981 1195947639 /nfs/dbraw/zinc/94/76/39/1195947639.db2.gz LQMHDJGEBCDRKQ-SJLPKXTDSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989981 1195947641 /nfs/dbraw/zinc/94/76/41/1195947641.db2.gz LQMHDJGEBCDRKQ-SJLPKXTDSA-N 2 1 392.544 0.377 20 0 GCADMP CCC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000521106491 1195962574 /nfs/dbraw/zinc/96/25/74/1195962574.db2.gz OLCDSLKBVFBYGU-GOSISDBHSA-N 2 1 380.533 0.690 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457966 1195980712 /nfs/dbraw/zinc/98/07/12/1195980712.db2.gz JOMYTNANFOTWCX-SJORKVTESA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000550457966 1195980713 /nfs/dbraw/zinc/98/07/13/1195980713.db2.gz JOMYTNANFOTWCX-SJORKVTESA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000550457966 1195980716 /nfs/dbraw/zinc/98/07/16/1195980716.db2.gz JOMYTNANFOTWCX-SJORKVTESA-N 2 1 382.549 0.696 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457779 1195984433 /nfs/dbraw/zinc/98/44/33/1195984433.db2.gz NWQDBEJOCQFMKQ-BZSNNMDCSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457779 1195984435 /nfs/dbraw/zinc/98/44/35/1195984435.db2.gz NWQDBEJOCQFMKQ-BZSNNMDCSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457779 1195984438 /nfs/dbraw/zinc/98/44/38/1195984438.db2.gz NWQDBEJOCQFMKQ-BZSNNMDCSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754190 1196002495 /nfs/dbraw/zinc/00/24/95/1196002495.db2.gz HRKUAIHDWXGTGG-SJLPKXTDSA-N 2 1 394.541 0.330 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754190 1196002497 /nfs/dbraw/zinc/00/24/97/1196002497.db2.gz HRKUAIHDWXGTGG-SJLPKXTDSA-N 2 1 394.541 0.330 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521966939 1196028062 /nfs/dbraw/zinc/02/80/62/1196028062.db2.gz JQCQOZXSIJAJTL-WMZOPIPTSA-N 2 1 378.517 0.300 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521966939 1196028064 /nfs/dbraw/zinc/02/80/64/1196028064.db2.gz JQCQOZXSIJAJTL-WMZOPIPTSA-N 2 1 378.517 0.300 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1CC(=O)NC1CCOCC1 ZINC001087577862 1196049228 /nfs/dbraw/zinc/04/92/28/1196049228.db2.gz NJYAJHSTUJSXLD-NRSFXHEJSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CC(=O)NC1CCOCC1 ZINC001087577862 1196049229 /nfs/dbraw/zinc/04/92/29/1196049229.db2.gz NJYAJHSTUJSXLD-NRSFXHEJSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CC(=O)NC1CCOCC1 ZINC001087577862 1196049233 /nfs/dbraw/zinc/04/92/33/1196049233.db2.gz NJYAJHSTUJSXLD-NRSFXHEJSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087577862 1196049235 /nfs/dbraw/zinc/04/92/35/1196049235.db2.gz NJYAJHSTUJSXLD-NRSFXHEJSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CC(=O)NC1CCOCC1 ZINC001087577862 1196049237 /nfs/dbraw/zinc/04/92/37/1196049237.db2.gz NJYAJHSTUJSXLD-NRSFXHEJSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC ZINC001087575970 1196049455 /nfs/dbraw/zinc/04/94/55/1196049455.db2.gz GIQWGTJKAUVCAQ-NTDBWNAOSA-N 2 1 380.533 0.448 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC ZINC001087575970 1196049457 /nfs/dbraw/zinc/04/94/57/1196049457.db2.gz GIQWGTJKAUVCAQ-NTDBWNAOSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550479371 1196051505 /nfs/dbraw/zinc/05/15/05/1196051505.db2.gz IGKWEQGBDCBUON-KRWDZBQOSA-N 2 1 395.592 0.755 20 0 GCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550479371 1196051509 /nfs/dbraw/zinc/05/15/09/1196051509.db2.gz IGKWEQGBDCBUON-KRWDZBQOSA-N 2 1 395.592 0.755 20 0 GCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550479371 1196051513 /nfs/dbraw/zinc/05/15/13/1196051513.db2.gz IGKWEQGBDCBUON-KRWDZBQOSA-N 2 1 395.592 0.755 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550481630 1196053814 /nfs/dbraw/zinc/05/38/14/1196053814.db2.gz UKHZNMLSXUHHMR-IBGZPJMESA-N 2 1 395.592 0.755 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550481630 1196053816 /nfs/dbraw/zinc/05/38/16/1196053816.db2.gz UKHZNMLSXUHHMR-IBGZPJMESA-N 2 1 395.592 0.755 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550481630 1196053820 /nfs/dbraw/zinc/05/38/20/1196053820.db2.gz UKHZNMLSXUHHMR-IBGZPJMESA-N 2 1 395.592 0.755 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550566357 1196087676 /nfs/dbraw/zinc/08/76/76/1196087676.db2.gz KNBZYBZGAYSSDC-INIZCTEOSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550566357 1196087679 /nfs/dbraw/zinc/08/76/79/1196087679.db2.gz KNBZYBZGAYSSDC-INIZCTEOSA-N 2 1 394.560 0.813 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000114602845 1196106209 /nfs/dbraw/zinc/10/62/09/1196106209.db2.gz TXLPKPGLXXEEDH-UHFFFAOYSA-N 2 1 395.592 0.894 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000114585512 1196106408 /nfs/dbraw/zinc/10/64/08/1196106408.db2.gz KRXNBXHUXBEHEY-UHFFFAOYSA-N 2 1 383.581 0.796 20 0 GCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)cn2)CC1 ZINC000474289864 1196106416 /nfs/dbraw/zinc/10/64/16/1196106416.db2.gz HACSFWTUFGJPAG-UHFFFAOYSA-N 2 1 396.495 0.598 20 0 GCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000114602998 1196106454 /nfs/dbraw/zinc/10/64/54/1196106454.db2.gz DUKCZBJJTXIUNT-SFHVURJKSA-N 2 1 381.565 0.693 20 0 GCADMP C[NH+](C)CCc1ccc(C(=O)N2CCN(C(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000896231233 1196136003 /nfs/dbraw/zinc/13/60/03/1196136003.db2.gz YAVFFWRPLHCGDA-UHFFFAOYSA-N 2 1 387.528 0.916 20 0 GCADMP COCc1noc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971877 1196142503 /nfs/dbraw/zinc/14/25/03/1196142503.db2.gz XXCNUPVPFODXPZ-LVQVYYBASA-N 2 1 377.489 0.837 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCOCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972094 1196142524 /nfs/dbraw/zinc/14/25/24/1196142524.db2.gz LUDGXUYQNSLCNM-YDZRNGNQSA-N 2 1 392.544 0.356 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCOCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087972094 1196142525 /nfs/dbraw/zinc/14/25/25/1196142525.db2.gz LUDGXUYQNSLCNM-YDZRNGNQSA-N 2 1 392.544 0.356 20 0 GCADMP COCCc1noc(CN2CC[C@@H]3CN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)C[C@@H]3C2)n1 ZINC001087971830 1196142810 /nfs/dbraw/zinc/14/28/10/1196142810.db2.gz VXMKHLHIQRJHLW-WCXIOVBPSA-N 2 1 391.516 0.879 20 0 GCADMP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000329052753 1196160034 /nfs/dbraw/zinc/16/00/34/1196160034.db2.gz LIEBPFZWPUZDIP-DQCOHUIHSA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000329052753 1196160037 /nfs/dbraw/zinc/16/00/37/1196160037.db2.gz LIEBPFZWPUZDIP-DQCOHUIHSA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000329052753 1196160038 /nfs/dbraw/zinc/16/00/38/1196160038.db2.gz LIEBPFZWPUZDIP-DQCOHUIHSA-N 2 1 392.544 0.233 20 0 GCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329187393 1196173745 /nfs/dbraw/zinc/17/37/45/1196173745.db2.gz GUKAHCHOYJMMFR-RHQZKXFESA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000329187393 1196173750 /nfs/dbraw/zinc/17/37/50/1196173750.db2.gz GUKAHCHOYJMMFR-RHQZKXFESA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@H]2CCC[NH+]2C[C@@H]1C ZINC000329187393 1196173753 /nfs/dbraw/zinc/17/37/53/1196173753.db2.gz GUKAHCHOYJMMFR-RHQZKXFESA-N 2 1 392.544 0.518 20 0 GCADMP C[NH+]1CC[C@]2(CCN(C(=O)COCC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000329234800 1196178791 /nfs/dbraw/zinc/17/87/91/1196178791.db2.gz MYNWQLVSRHZWFH-BGYRXZFFSA-N 2 1 378.517 0.111 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(C(=O)COCC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000329234800 1196178795 /nfs/dbraw/zinc/17/87/95/1196178795.db2.gz MYNWQLVSRHZWFH-BGYRXZFFSA-N 2 1 378.517 0.111 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(C(=O)COCC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C2)C1 ZINC000329234800 1196178798 /nfs/dbraw/zinc/17/87/98/1196178798.db2.gz MYNWQLVSRHZWFH-BGYRXZFFSA-N 2 1 378.517 0.111 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)CC[C@@H]3C2)O1 ZINC001088012123 1196217545 /nfs/dbraw/zinc/21/75/45/1196217545.db2.gz UBZIZFPKGDGNTK-OQIJWPOYSA-N 2 1 388.512 0.385 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)CC[C@@H]3C2)O1 ZINC001088012123 1196217548 /nfs/dbraw/zinc/21/75/48/1196217548.db2.gz UBZIZFPKGDGNTK-OQIJWPOYSA-N 2 1 388.512 0.385 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)CC[C@@H]3C2)O1 ZINC001088012123 1196217552 /nfs/dbraw/zinc/21/75/52/1196217552.db2.gz UBZIZFPKGDGNTK-OQIJWPOYSA-N 2 1 388.512 0.385 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccn(C)c(=O)c4)CC[C@@H]3C2)O1 ZINC001088012123 1196217555 /nfs/dbraw/zinc/21/75/55/1196217555.db2.gz UBZIZFPKGDGNTK-OQIJWPOYSA-N 2 1 388.512 0.385 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329872962 1196235311 /nfs/dbraw/zinc/23/53/11/1196235311.db2.gz DLWCGKZZBIVUND-HDICACEKSA-N 2 1 393.576 0.556 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329872962 1196235315 /nfs/dbraw/zinc/23/53/15/1196235315.db2.gz DLWCGKZZBIVUND-HDICACEKSA-N 2 1 393.576 0.556 20 0 GCADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000281296476 1196288275 /nfs/dbraw/zinc/28/82/75/1196288275.db2.gz JPJDNOQXMXTZNS-UHFFFAOYSA-N 2 1 396.557 0.801 20 0 GCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000444167405 1196354870 /nfs/dbraw/zinc/35/48/70/1196354870.db2.gz MTCJYOYBJSQOKK-DNVCBOLYSA-N 2 1 392.504 0.128 20 0 GCADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1(C)C ZINC000444261462 1196368930 /nfs/dbraw/zinc/36/89/30/1196368930.db2.gz YBOROJNGGKTLKA-IFXJQAMLSA-N 2 1 376.505 0.724 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000522974439 1196372415 /nfs/dbraw/zinc/37/24/15/1196372415.db2.gz NBBOGVWPKGYSKY-QGZVFWFLSA-N 2 1 395.548 0.518 20 0 GCADMP CN(c1ccccc1C[N@@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000897283004 1196438824 /nfs/dbraw/zinc/43/88/24/1196438824.db2.gz AIAPCVSDJBMECC-GOSISDBHSA-N 2 1 393.557 0.551 20 0 GCADMP CN(c1ccccc1C[N@H+]1CCN2[C@H](CNS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000897283004 1196438827 /nfs/dbraw/zinc/43/88/27/1196438827.db2.gz AIAPCVSDJBMECC-GOSISDBHSA-N 2 1 393.557 0.551 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000102050893 1196491095 /nfs/dbraw/zinc/49/10/95/1196491095.db2.gz XOBYARYQPKZCNP-GOSISDBHSA-N 2 1 388.516 0.856 20 0 GCADMP CCCNC(=O)CN1CCC(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000523483274 1196528094 /nfs/dbraw/zinc/52/80/94/1196528094.db2.gz BWAIEGGBHMMALK-INIZCTEOSA-N 2 1 383.537 0.245 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524032115 1196573004 /nfs/dbraw/zinc/57/30/04/1196573004.db2.gz YIQZYURGEXJIDF-GOSISDBHSA-N 2 1 397.564 0.729 20 0 GCADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000524392247 1196591463 /nfs/dbraw/zinc/59/14/63/1196591463.db2.gz MFZXLWHVZIBMFH-SFHVURJKSA-N 2 1 387.528 0.335 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419720 1196594321 /nfs/dbraw/zinc/59/43/21/1196594321.db2.gz YSFHNYOBZDMLGH-RTBURBONSA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000524419720 1196594322 /nfs/dbraw/zinc/59/43/22/1196594322.db2.gz YSFHNYOBZDMLGH-RTBURBONSA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000524419720 1196594324 /nfs/dbraw/zinc/59/43/24/1196594324.db2.gz YSFHNYOBZDMLGH-RTBURBONSA-N 2 1 387.528 0.997 20 0 GCADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000897346679 1196613220 /nfs/dbraw/zinc/61/32/20/1196613220.db2.gz XUAMHIIYPUVHOC-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000897346679 1196613225 /nfs/dbraw/zinc/61/32/25/1196613225.db2.gz XUAMHIIYPUVHOC-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000446240126 1196627745 /nfs/dbraw/zinc/62/77/45/1196627745.db2.gz CHGQHTBZBISLIM-UHFFFAOYSA-N 2 1 378.473 0.404 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000446240126 1196627747 /nfs/dbraw/zinc/62/77/47/1196627747.db2.gz CHGQHTBZBISLIM-UHFFFAOYSA-N 2 1 378.473 0.404 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)C[C@H]2C)CC1 ZINC000624614290 1196677371 /nfs/dbraw/zinc/67/73/71/1196677371.db2.gz OITXBXDGJJVSLT-NZSAHSFTSA-N 2 1 379.549 0.912 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC000624614290 1196677375 /nfs/dbraw/zinc/67/73/75/1196677375.db2.gz OITXBXDGJJVSLT-NZSAHSFTSA-N 2 1 379.549 0.912 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)C[C@@H]2C)CC1 ZINC000624614292 1196677727 /nfs/dbraw/zinc/67/77/27/1196677727.db2.gz OITXBXDGJJVSLT-YTQUADARSA-N 2 1 379.549 0.912 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@@H]3CCCC[N@@H+](C)C3)C[C@@H]2C)CC1 ZINC000624614292 1196677730 /nfs/dbraw/zinc/67/77/30/1196677730.db2.gz OITXBXDGJJVSLT-YTQUADARSA-N 2 1 379.549 0.912 20 0 GCADMP C[NH+](C)CCCS(=O)(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000631900231 1196678243 /nfs/dbraw/zinc/67/82/43/1196678243.db2.gz LFCBHRPVIRGJKH-UHFFFAOYSA-N 2 1 384.550 0.250 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 ZINC000525704391 1196702112 /nfs/dbraw/zinc/70/21/12/1196702112.db2.gz PIOURRRXRDTHAA-HUUCEWRRSA-N 2 1 385.468 0.947 20 0 GCADMP COC(=O)[C@@H]1CC12CC[NH+](C[C@@H](O)C[NH+]1CCC3(C[C@@H]3C(=O)OC)CC1)CC2 ZINC000447350645 1196710701 /nfs/dbraw/zinc/71/07/01/1196710701.db2.gz KXXOCYLCYAWKDK-BJWYYQGGSA-N 2 1 394.512 0.898 20 0 GCADMP C[NH+](C)CCCN1C(=O)C[C@@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000525802670 1196710849 /nfs/dbraw/zinc/71/08/49/1196710849.db2.gz IJCKDHORHDFNEL-GOSISDBHSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@H]([NH2+][C@H](CO)[C@@H]1CCCO1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447900875 1196759762 /nfs/dbraw/zinc/75/97/62/1196759762.db2.gz FHCRRHDTJFJIEG-DBVUQKKJSA-N 2 1 391.512 0.653 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NC[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000528682484 1196877471 /nfs/dbraw/zinc/87/74/71/1196877471.db2.gz QQCLTOBGNPVITE-GOSISDBHSA-N 2 1 389.500 0.503 20 0 GCADMP CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000153941127 1196902874 /nfs/dbraw/zinc/90/28/74/1196902874.db2.gz SACAAZNWHDVOHV-OTWHNJEPSA-N 2 1 393.576 0.556 20 0 GCADMP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000529294830 1196911088 /nfs/dbraw/zinc/91/10/88/1196911088.db2.gz WNOZUHRVKLNHNT-KRWDZBQOSA-N 2 1 375.521 0.628 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)C1 ZINC000529305597 1196912944 /nfs/dbraw/zinc/91/29/44/1196912944.db2.gz IYKCZCDYGOHUGX-MSOLQXFVSA-N 2 1 389.500 0.172 20 0 GCADMP CN(Cc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)ccc1F)[C@@]1(CO)CCOC1 ZINC000450706875 1196949073 /nfs/dbraw/zinc/94/90/73/1196949073.db2.gz GSBMGGNHCOPOPG-VQTJNVASSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)ccc1F)[C@@]1(CO)CCOC1 ZINC000450706875 1196949075 /nfs/dbraw/zinc/94/90/75/1196949075.db2.gz GSBMGGNHCOPOPG-VQTJNVASSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000450706875 1196949081 /nfs/dbraw/zinc/94/90/81/1196949081.db2.gz GSBMGGNHCOPOPG-VQTJNVASSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000450706875 1196949085 /nfs/dbraw/zinc/94/90/85/1196949085.db2.gz GSBMGGNHCOPOPG-VQTJNVASSA-N 2 1 382.476 0.992 20 0 GCADMP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000530566963 1196996860 /nfs/dbraw/zinc/99/68/60/1196996860.db2.gz OQZXQOWLIIKIOD-QGZVFWFLSA-N 2 1 388.512 0.958 20 0 GCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000530566963 1196996861 /nfs/dbraw/zinc/99/68/61/1196996861.db2.gz OQZXQOWLIIKIOD-QGZVFWFLSA-N 2 1 388.512 0.958 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000530629987 1197000747 /nfs/dbraw/zinc/00/07/47/1197000747.db2.gz ANEXCESYVMLCJU-XUVXKRRUSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000530629987 1197000750 /nfs/dbraw/zinc/00/07/50/1197000750.db2.gz ANEXCESYVMLCJU-XUVXKRRUSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000530629987 1197000755 /nfs/dbraw/zinc/00/07/55/1197000755.db2.gz ANEXCESYVMLCJU-XUVXKRRUSA-N 2 1 389.544 0.414 20 0 GCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000451674410 1197007111 /nfs/dbraw/zinc/00/71/11/1197007111.db2.gz YSBAZPZOTAYFME-INIZCTEOSA-N 2 1 387.550 0.187 20 0 GCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000451674410 1197007114 /nfs/dbraw/zinc/00/71/14/1197007114.db2.gz YSBAZPZOTAYFME-INIZCTEOSA-N 2 1 387.550 0.187 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814795 1197018525 /nfs/dbraw/zinc/01/85/25/1197018525.db2.gz HHYREYUIFHBERD-RXVVDRJESA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530814795 1197018529 /nfs/dbraw/zinc/01/85/29/1197018529.db2.gz HHYREYUIFHBERD-RXVVDRJESA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530814795 1197018534 /nfs/dbraw/zinc/01/85/34/1197018534.db2.gz HHYREYUIFHBERD-RXVVDRJESA-N 2 1 388.512 0.327 20 0 GCADMP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000531283208 1197062206 /nfs/dbraw/zinc/06/22/06/1197062206.db2.gz BQIKPAHSLYAOEW-CQSZACIVSA-N 2 1 375.473 0.583 20 0 GCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000531283208 1197062211 /nfs/dbraw/zinc/06/22/11/1197062211.db2.gz BQIKPAHSLYAOEW-CQSZACIVSA-N 2 1 375.473 0.583 20 0 GCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644957 1197089593 /nfs/dbraw/zinc/08/95/93/1197089593.db2.gz DLLZGWAINHBWED-OALUTQOASA-N 2 1 379.549 0.214 20 0 GCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644957 1197089597 /nfs/dbraw/zinc/08/95/97/1197089597.db2.gz DLLZGWAINHBWED-OALUTQOASA-N 2 1 379.549 0.214 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532170868 1197123280 /nfs/dbraw/zinc/12/32/80/1197123280.db2.gz KQHOHOMRAZTKMN-BBWFWOEESA-N 2 1 381.521 0.269 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532170868 1197123282 /nfs/dbraw/zinc/12/32/82/1197123282.db2.gz KQHOHOMRAZTKMN-BBWFWOEESA-N 2 1 381.521 0.269 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)O1 ZINC000986131340 1197133325 /nfs/dbraw/zinc/13/33/25/1197133325.db2.gz PUAHSHYMAYVBHI-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]3C2)O1 ZINC000986131340 1197133327 /nfs/dbraw/zinc/13/33/27/1197133327.db2.gz PUAHSHYMAYVBHI-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170780081 1197154948 /nfs/dbraw/zinc/15/49/48/1197154948.db2.gz ASXNIEAADGZREN-BBWFWOEESA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170780081 1197154951 /nfs/dbraw/zinc/15/49/51/1197154951.db2.gz ASXNIEAADGZREN-BBWFWOEESA-N 2 1 394.560 0.933 20 0 GCADMP CC[NH+]1CCN(c2cccc(NC(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2)CC1 ZINC000453921084 1197175291 /nfs/dbraw/zinc/17/52/91/1197175291.db2.gz SBVBIFIAJCJPBQ-QFBILLFUSA-N 2 1 385.512 0.930 20 0 GCADMP C[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1([NH+]2CCOCC2)CCCC1 ZINC000178823104 1197196506 /nfs/dbraw/zinc/19/65/06/1197196506.db2.gz HAAMOQAKZMJKEO-OAHLLOKOSA-N 2 1 376.505 0.966 20 0 GCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000453936275 1197230384 /nfs/dbraw/zinc/23/03/84/1197230384.db2.gz NVDJGZDOTRIYEC-IYBDPMFKSA-N 2 1 376.501 0.909 20 0 GCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000453936275 1197230389 /nfs/dbraw/zinc/23/03/89/1197230389.db2.gz NVDJGZDOTRIYEC-IYBDPMFKSA-N 2 1 376.501 0.909 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000475806601 1197240874 /nfs/dbraw/zinc/24/08/74/1197240874.db2.gz HNYGDQDQDNXJHW-UHFFFAOYSA-N 2 1 391.520 0.651 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 ZINC000475806601 1197240877 /nfs/dbraw/zinc/24/08/77/1197240877.db2.gz HNYGDQDQDNXJHW-UHFFFAOYSA-N 2 1 391.520 0.651 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000170370150 1197252645 /nfs/dbraw/zinc/25/26/45/1197252645.db2.gz XWVQKKWKKQFFMU-UHFFFAOYSA-N 2 1 388.512 0.606 20 0 GCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000103268269 1197269910 /nfs/dbraw/zinc/26/99/10/1197269910.db2.gz JBEURZVGUSRNSS-UHFFFAOYSA-N 2 1 399.539 0.994 20 0 GCADMP COc1c(C)cnc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)c1C ZINC000785414679 1197280676 /nfs/dbraw/zinc/28/06/76/1197280676.db2.gz LGCRVIMCIYBZLF-MRXNPFEDSA-N 2 1 392.500 0.796 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000151462342 1197296970 /nfs/dbraw/zinc/29/69/70/1197296970.db2.gz RQOQBOBGGRZMGU-MRXNPFEDSA-N 2 1 377.493 0.215 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000666631044 1197314888 /nfs/dbraw/zinc/31/48/88/1197314888.db2.gz GTXNCTDIADTWMJ-KRWDZBQOSA-N 2 1 394.541 0.580 20 0 GCADMP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568204 1197329776 /nfs/dbraw/zinc/32/97/76/1197329776.db2.gz NNXZKZGLTRDGHO-PKOBYXMFSA-N 2 1 394.560 0.887 20 0 GCADMP C(=C/C[N@@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000129142783 1197364905 /nfs/dbraw/zinc/36/49/05/1197364905.db2.gz MDIQYDHKULHURM-HNSCLNPNSA-N 2 1 392.588 0.851 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@H](C)C[NH3+])CC2)cs1 ZINC000418856448 1197378600 /nfs/dbraw/zinc/37/86/00/1197378600.db2.gz PLKBSVDEMGWILH-CYBMUJFWSA-N 2 1 381.546 0.745 20 0 GCADMP C[C@@H]1NC(=O)N(CC[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O ZINC000459367813 1197383363 /nfs/dbraw/zinc/38/33/63/1197383363.db2.gz CXCPLSMMIVYEAL-INIZCTEOSA-N 2 1 389.500 0.689 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000134046952 1197385025 /nfs/dbraw/zinc/38/50/25/1197385025.db2.gz ZKKLPKUVPWBHND-KZNAEPCWSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000134046952 1197385027 /nfs/dbraw/zinc/38/50/27/1197385027.db2.gz ZKKLPKUVPWBHND-KZNAEPCWSA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000141481437 1197396165 /nfs/dbraw/zinc/39/61/65/1197396165.db2.gz WQIPHCWLYFOQOD-AEFFLSMTSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000141481437 1197396169 /nfs/dbraw/zinc/39/61/69/1197396169.db2.gz WQIPHCWLYFOQOD-AEFFLSMTSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000141481437 1197396172 /nfs/dbraw/zinc/39/61/72/1197396172.db2.gz WQIPHCWLYFOQOD-AEFFLSMTSA-N 2 1 377.533 0.951 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)CNC3=O)[C@@H]2C)CC[N@H+]1C ZINC001088579410 1197398073 /nfs/dbraw/zinc/39/80/73/1197398073.db2.gz FXWFIGVXJSXICH-FXUDXRNXSA-N 2 1 379.505 0.238 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCCN3C(=O)CNC3=O)[C@@H]2C)CC[NH+]1C ZINC001088579410 1197398076 /nfs/dbraw/zinc/39/80/76/1197398076.db2.gz FXWFIGVXJSXICH-FXUDXRNXSA-N 2 1 379.505 0.238 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)[C@@H]2C)CC[NH+]1C ZINC001088579410 1197398078 /nfs/dbraw/zinc/39/80/78/1197398078.db2.gz FXWFIGVXJSXICH-FXUDXRNXSA-N 2 1 379.505 0.238 20 0 GCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2C1 ZINC000193927349 1197398198 /nfs/dbraw/zinc/39/81/98/1197398198.db2.gz LFZWSTGKVJOYRH-UHFFFAOYSA-N 2 1 385.512 0.811 20 0 GCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)N3CCN(CC[NH+]4CCCC4)CC3)cc2C1 ZINC000193927349 1197398203 /nfs/dbraw/zinc/39/82/03/1197398203.db2.gz LFZWSTGKVJOYRH-UHFFFAOYSA-N 2 1 385.512 0.811 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCCC[NH2+]C)cc2)CC1 ZINC000419350125 1197417713 /nfs/dbraw/zinc/41/77/13/1197417713.db2.gz ZCCHOEWAELBBKN-UHFFFAOYSA-N 2 1 375.517 0.166 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000245821829 1197433393 /nfs/dbraw/zinc/43/33/93/1197433393.db2.gz DZRGMBQDQVNAGE-YZGWKJHDSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000245821829 1197433395 /nfs/dbraw/zinc/43/33/95/1197433395.db2.gz DZRGMBQDQVNAGE-YZGWKJHDSA-N 2 1 390.528 0.889 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000533223740 1197439462 /nfs/dbraw/zinc/43/94/62/1197439462.db2.gz MHFKCIRASWAFJO-GOSISDBHSA-N 2 1 381.565 0.907 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1=O ZINC000246473164 1197471375 /nfs/dbraw/zinc/47/13/75/1197471375.db2.gz QVNYAOYRDDTKNK-NCXUSEDFSA-N 2 1 394.560 0.935 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681488 1197473139 /nfs/dbraw/zinc/47/31/39/1197473139.db2.gz HEZABBMBYWVDSA-OTWHNJEPSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000246769586 1197473798 /nfs/dbraw/zinc/47/37/98/1197473798.db2.gz PHWAUFQHDYKJHC-GBESFXJTSA-N 2 1 392.544 0.500 20 0 GCADMP CN1CCO[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000247320816 1197475616 /nfs/dbraw/zinc/47/56/16/1197475616.db2.gz GIWNEZJBQZLFKJ-QRVBRYPASA-N 2 1 376.501 0.499 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)NC3CCN(CCS(C)(=O)=O)CC3)CC[C@H]21 ZINC000247304864 1197475635 /nfs/dbraw/zinc/47/56/35/1197475635.db2.gz UZYVJSHKAJNIIA-DOTOQJQBSA-N 2 1 386.562 0.621 20 0 GCADMP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C1 ZINC000248648304 1197479928 /nfs/dbraw/zinc/47/99/28/1197479928.db2.gz JOPIERUYLFKIBG-MUEFDENFSA-N 2 1 388.556 0.689 20 0 GCADMP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000248648304 1197479932 /nfs/dbraw/zinc/47/99/32/1197479932.db2.gz JOPIERUYLFKIBG-MUEFDENFSA-N 2 1 388.556 0.689 20 0 GCADMP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000248648304 1197479935 /nfs/dbraw/zinc/47/99/35/1197479935.db2.gz JOPIERUYLFKIBG-MUEFDENFSA-N 2 1 388.556 0.689 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000988756935 1197505516 /nfs/dbraw/zinc/50/55/16/1197505516.db2.gz QPQFPBALBCOUED-ZJPYXAASSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC000988756935 1197505519 /nfs/dbraw/zinc/50/55/19/1197505519.db2.gz QPQFPBALBCOUED-ZJPYXAASSA-N 2 1 380.533 0.687 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724281 1197512409 /nfs/dbraw/zinc/51/24/09/1197512409.db2.gz LYZWRHQUNZUXCK-DLBZAZTESA-N 2 1 380.533 0.452 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261758429 1197513728 /nfs/dbraw/zinc/51/37/28/1197513728.db2.gz FUMRJTYVAJNQHU-SJLPKXTDSA-N 3 1 379.549 0.167 20 0 GCADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261758429 1197513730 /nfs/dbraw/zinc/51/37/30/1197513730.db2.gz FUMRJTYVAJNQHU-SJLPKXTDSA-N 2 1 379.549 0.167 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261772720 1197514101 /nfs/dbraw/zinc/51/41/01/1197514101.db2.gz GUPGYPCRZVSGEV-WMZOPIPTSA-N 2 1 394.541 0.545 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261772720 1197514105 /nfs/dbraw/zinc/51/41/05/1197514105.db2.gz GUPGYPCRZVSGEV-WMZOPIPTSA-N 2 1 394.541 0.545 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000261773600 1197514338 /nfs/dbraw/zinc/51/43/38/1197514338.db2.gz ZJEMBRGYLHPLHP-INIZCTEOSA-N 2 1 380.514 0.333 20 0 GCADMP Cn1ccnc1[C@H]1C[NH2+]CCN1CC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261801835 1197515221 /nfs/dbraw/zinc/51/52/21/1197515221.db2.gz RONUFFOAULMQMG-LJQANCHMSA-N 2 1 382.512 0.711 20 0 GCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261820263 1197516091 /nfs/dbraw/zinc/51/60/91/1197516091.db2.gz KHDAKGPLMDOVSB-BRWVUGGUSA-N 2 1 386.562 0.238 20 0 GCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000261820270 1197516103 /nfs/dbraw/zinc/51/61/03/1197516103.db2.gz KHDAKGPLMDOVSB-ZACQAIPSSA-N 2 1 386.562 0.238 20 0 GCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261873045 1197517125 /nfs/dbraw/zinc/51/71/25/1197517125.db2.gz OICYGGKGUZHAQH-ZWKOTPCHSA-N 2 1 379.549 0.121 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916385 1197519268 /nfs/dbraw/zinc/51/92/68/1197519268.db2.gz UKWGRCOLFMHBDO-GOEBONIOSA-N 2 1 388.468 0.934 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916385 1197519270 /nfs/dbraw/zinc/51/92/70/1197519270.db2.gz UKWGRCOLFMHBDO-GOEBONIOSA-N 2 1 388.468 0.934 20 0 GCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261917998 1197519471 /nfs/dbraw/zinc/51/94/71/1197519471.db2.gz USRUJAAXRLGGNX-ULQDDVLXSA-N 2 1 388.516 0.496 20 0 GCADMP COc1ccc(CCC(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000262079784 1197524338 /nfs/dbraw/zinc/52/43/38/1197524338.db2.gz KOSWCHPIYRMXCW-UHFFFAOYSA-N 2 1 388.512 0.594 20 0 GCADMP C[NH+](C)C1(CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)Cc2ccccc2C1 ZINC000262484109 1197532920 /nfs/dbraw/zinc/53/29/20/1197532920.db2.gz ZXEZLDAJNXNZER-UHFFFAOYSA-N 2 1 379.526 0.369 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCO1 ZINC000643488188 1197537360 /nfs/dbraw/zinc/53/73/60/1197537360.db2.gz WBRDPPGIFMPCAL-GDBMZVCRSA-N 2 1 380.514 0.009 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000989023849 1197542931 /nfs/dbraw/zinc/54/29/31/1197542931.db2.gz CLTPYXMPUMXOEY-WCXIOVBPSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000989023849 1197542936 /nfs/dbraw/zinc/54/29/36/1197542936.db2.gz CLTPYXMPUMXOEY-WCXIOVBPSA-N 2 1 378.517 0.440 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3C)C2)CC1 ZINC000508717963 1197557771 /nfs/dbraw/zinc/55/77/71/1197557771.db2.gz MTKDZBXAJZJNAN-SFHVURJKSA-N 2 1 390.532 0.326 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672007281 1199000186 /nfs/dbraw/zinc/00/01/86/1199000186.db2.gz GGNFDQMSPJMEEP-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672007281 1199000195 /nfs/dbraw/zinc/00/01/95/1199000195.db2.gz GGNFDQMSPJMEEP-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008611 1199000253 /nfs/dbraw/zinc/00/02/53/1199000253.db2.gz AUCHQISLHDDNKJ-SJLPKXTDSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008603 1199000501 /nfs/dbraw/zinc/00/05/01/1199000501.db2.gz AUCHQISLHDDNKJ-AEFFLSMTSA-N 2 1 379.549 0.071 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@H]1CC ZINC000672007060 1199000579 /nfs/dbraw/zinc/00/05/79/1199000579.db2.gz AOIWGEBVZFDTQS-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@H]1CC ZINC000672007060 1199000589 /nfs/dbraw/zinc/00/05/89/1199000589.db2.gz AOIWGEBVZFDTQS-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000155977993 1199027401 /nfs/dbraw/zinc/02/74/01/1199027401.db2.gz BGGLJPLRHVHOCZ-MAUKXSAKSA-N 2 1 388.516 0.859 20 0 GCADMP O=C(COCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108307180 1199044080 /nfs/dbraw/zinc/04/40/80/1199044080.db2.gz ZMWFURPFASOTJM-QZTJIDSGSA-N 2 1 378.517 0.204 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000672118341 1199124906 /nfs/dbraw/zinc/12/49/06/1199124906.db2.gz ULIRUQQLJLXUOY-YTQUADARSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000672118341 1199124911 /nfs/dbraw/zinc/12/49/11/1199124911.db2.gz ULIRUQQLJLXUOY-YTQUADARSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672118341 1199124915 /nfs/dbraw/zinc/12/49/15/1199124915.db2.gz ULIRUQQLJLXUOY-YTQUADARSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672118341 1199124919 /nfs/dbraw/zinc/12/49/19/1199124919.db2.gz ULIRUQQLJLXUOY-YTQUADARSA-N 2 1 388.512 0.460 20 0 GCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926064 1199184168 /nfs/dbraw/zinc/18/41/68/1199184168.db2.gz HFSBOLYQNNQZFL-RBUKOAKNSA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926064 1199184170 /nfs/dbraw/zinc/18/41/70/1199184170.db2.gz HFSBOLYQNNQZFL-RBUKOAKNSA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926064 1199184174 /nfs/dbraw/zinc/18/41/74/1199184174.db2.gz HFSBOLYQNNQZFL-RBUKOAKNSA-N 2 1 381.565 0.645 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000656353361 1199186563 /nfs/dbraw/zinc/18/65/63/1199186563.db2.gz AJIYOHUFHBLRPP-ZWKOTPCHSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000656353361 1199186564 /nfs/dbraw/zinc/18/65/64/1199186564.db2.gz AJIYOHUFHBLRPP-ZWKOTPCHSA-N 2 1 378.517 0.443 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305373 1199198155 /nfs/dbraw/zinc/19/81/55/1199198155.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672305373 1199198160 /nfs/dbraw/zinc/19/81/60/1199198160.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672305373 1199198162 /nfs/dbraw/zinc/19/81/62/1199198162.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305373 1199198164 /nfs/dbraw/zinc/19/81/64/1199198164.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305373 1199198170 /nfs/dbraw/zinc/19/81/70/1199198170.db2.gz MIANWHXWXPFHDT-MJGOQNOKSA-N 2 1 391.560 0.214 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672305717 1199198258 /nfs/dbraw/zinc/19/82/58/1199198258.db2.gz APXLLSMANHWFOS-IPMKNSEASA-N 2 1 392.544 0.471 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672308676 1199199221 /nfs/dbraw/zinc/19/92/21/1199199221.db2.gz XPFNPZNTOSNJTL-QGZVFWFLSA-N 2 1 380.533 0.404 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308676 1199199224 /nfs/dbraw/zinc/19/92/24/1199199224.db2.gz XPFNPZNTOSNJTL-QGZVFWFLSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000499518037 1199202532 /nfs/dbraw/zinc/20/25/32/1199202532.db2.gz GNIXDDFATFMGNK-KRWDZBQOSA-N 2 1 388.578 0.533 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310567 1199203188 /nfs/dbraw/zinc/20/31/88/1199203188.db2.gz ZHVTYUQJTYUYEK-MRXNPFEDSA-N 2 1 380.533 0.593 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000672308959 1199204319 /nfs/dbraw/zinc/20/43/19/1199204319.db2.gz GWKGEZIUVMRBFW-QZTJIDSGSA-N 2 1 378.517 0.158 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@H]21 ZINC000672313596 1199204466 /nfs/dbraw/zinc/20/44/66/1199204466.db2.gz GHQXHIQMNDRDFU-QZTJIDSGSA-N 2 1 392.544 0.690 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672311569 1199205185 /nfs/dbraw/zinc/20/51/85/1199205185.db2.gz JDGFXQXDHXRFQK-ZWKOTPCHSA-N 2 1 380.533 0.546 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C1CCCC1 ZINC000672330365 1199209670 /nfs/dbraw/zinc/20/96/70/1199209670.db2.gz WFNJWYHTYRMGCJ-GOSISDBHSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCCC1 ZINC000672330365 1199209675 /nfs/dbraw/zinc/20/96/75/1199209675.db2.gz WFNJWYHTYRMGCJ-GOSISDBHSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCCC1 ZINC000672330365 1199209678 /nfs/dbraw/zinc/20/96/78/1199209678.db2.gz WFNJWYHTYRMGCJ-GOSISDBHSA-N 2 1 379.549 0.215 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000672358470 1199218636 /nfs/dbraw/zinc/21/86/36/1199218636.db2.gz ANLCXUCGFUIVCH-LJQANCHMSA-N 2 1 394.560 0.938 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639401 1199290959 /nfs/dbraw/zinc/29/09/59/1199290959.db2.gz BZTOXRNUJCDBCZ-DLBZAZTESA-N 2 1 379.549 0.262 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639401 1199290964 /nfs/dbraw/zinc/29/09/64/1199290964.db2.gz BZTOXRNUJCDBCZ-DLBZAZTESA-N 2 1 379.549 0.262 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640975 1199298355 /nfs/dbraw/zinc/29/83/55/1199298355.db2.gz HXJLNVHYIGFGFA-AEFFLSMTSA-N 2 1 395.592 0.754 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640975 1199298359 /nfs/dbraw/zinc/29/83/59/1199298359.db2.gz HXJLNVHYIGFGFA-AEFFLSMTSA-N 2 1 395.592 0.754 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640959 1199298473 /nfs/dbraw/zinc/29/84/73/1199298473.db2.gz HPQOGHXPGSIGNW-KRWDZBQOSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640959 1199298477 /nfs/dbraw/zinc/29/84/77/1199298477.db2.gz HPQOGHXPGSIGNW-KRWDZBQOSA-N 2 1 379.549 0.215 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640976 1199299000 /nfs/dbraw/zinc/29/90/00/1199299000.db2.gz HXJLNVHYIGFGFA-FUHWJXTLSA-N 2 1 395.592 0.754 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640976 1199299005 /nfs/dbraw/zinc/29/90/05/1199299005.db2.gz HXJLNVHYIGFGFA-FUHWJXTLSA-N 2 1 395.592 0.754 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641306 1199299164 /nfs/dbraw/zinc/29/91/64/1199299164.db2.gz OYUOYBQBLVUMGE-KRWDZBQOSA-N 2 1 391.560 0.262 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641306 1199299166 /nfs/dbraw/zinc/29/91/66/1199299166.db2.gz OYUOYBQBLVUMGE-KRWDZBQOSA-N 2 1 391.560 0.262 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640631 1199299315 /nfs/dbraw/zinc/29/93/15/1199299315.db2.gz DYUADZDRMYOXQB-AEFFLSMTSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640631 1199299320 /nfs/dbraw/zinc/29/93/20/1199299320.db2.gz DYUADZDRMYOXQB-AEFFLSMTSA-N 2 1 393.576 0.460 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000672640700 1199300292 /nfs/dbraw/zinc/30/02/92/1199300292.db2.gz GRCDVUBLHAPDOO-SFHVURJKSA-N 2 1 395.592 0.896 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000672640700 1199300302 /nfs/dbraw/zinc/30/03/02/1199300302.db2.gz GRCDVUBLHAPDOO-SFHVURJKSA-N 2 1 395.592 0.896 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000672640699 1199300395 /nfs/dbraw/zinc/30/03/95/1199300395.db2.gz GRCDVUBLHAPDOO-GOSISDBHSA-N 2 1 395.592 0.896 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000672640699 1199300402 /nfs/dbraw/zinc/30/04/02/1199300402.db2.gz GRCDVUBLHAPDOO-GOSISDBHSA-N 2 1 395.592 0.896 20 0 GCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672642106 1199300492 /nfs/dbraw/zinc/30/04/92/1199300492.db2.gz XVNAIZMBVMSVTD-SFHVURJKSA-N 2 1 395.592 0.852 20 0 GCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672642106 1199300498 /nfs/dbraw/zinc/30/04/98/1199300498.db2.gz XVNAIZMBVMSVTD-SFHVURJKSA-N 2 1 395.592 0.852 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672642481 1199300739 /nfs/dbraw/zinc/30/07/39/1199300739.db2.gz BMQDISWDHHQYCN-IAGOWNOFSA-N 2 1 379.549 0.260 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672642481 1199300747 /nfs/dbraw/zinc/30/07/47/1199300747.db2.gz BMQDISWDHHQYCN-IAGOWNOFSA-N 2 1 379.549 0.260 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641793 1199303107 /nfs/dbraw/zinc/30/31/07/1199303107.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641793 1199303113 /nfs/dbraw/zinc/30/31/13/1199303113.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641793 1199303119 /nfs/dbraw/zinc/30/31/19/1199303119.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672641793 1199303126 /nfs/dbraw/zinc/30/31/26/1199303126.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672641793 1199303134 /nfs/dbraw/zinc/30/31/34/1199303134.db2.gz XKQLQOFDQNIGIG-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642953 1199303253 /nfs/dbraw/zinc/30/32/53/1199303253.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642953 1199303261 /nfs/dbraw/zinc/30/32/61/1199303261.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642953 1199303265 /nfs/dbraw/zinc/30/32/65/1199303265.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642953 1199303272 /nfs/dbraw/zinc/30/32/72/1199303272.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642953 1199303277 /nfs/dbraw/zinc/30/32/77/1199303277.db2.gz YNFGHJIABVSBOJ-KZNAEPCWSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643005 1199306421 /nfs/dbraw/zinc/30/64/21/1199306421.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643005 1199306424 /nfs/dbraw/zinc/30/64/24/1199306424.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643005 1199306436 /nfs/dbraw/zinc/30/64/36/1199306436.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643005 1199306442 /nfs/dbraw/zinc/30/64/42/1199306442.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643005 1199306449 /nfs/dbraw/zinc/30/64/49/1199306449.db2.gz MLHWMPUOEILGLU-OAGGEKHMSA-N 2 1 377.533 0.013 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672655524 1199309952 /nfs/dbraw/zinc/30/99/52/1199309952.db2.gz AMHZSXZLHLACHS-RTBURBONSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672655524 1199309959 /nfs/dbraw/zinc/30/99/59/1199309959.db2.gz AMHZSXZLHLACHS-RTBURBONSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655524 1199309967 /nfs/dbraw/zinc/30/99/67/1199309967.db2.gz AMHZSXZLHLACHS-RTBURBONSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672692646 1199317414 /nfs/dbraw/zinc/31/74/14/1199317414.db2.gz HIHOPNDJQWGLLR-IEBWSBKVSA-N 2 1 393.576 0.604 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672692646 1199317417 /nfs/dbraw/zinc/31/74/17/1199317417.db2.gz HIHOPNDJQWGLLR-IEBWSBKVSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672731625 1199323708 /nfs/dbraw/zinc/32/37/08/1199323708.db2.gz UVNSLQUPQAWIDD-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672731625 1199323713 /nfs/dbraw/zinc/32/37/13/1199323713.db2.gz UVNSLQUPQAWIDD-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672731625 1199323715 /nfs/dbraw/zinc/32/37/15/1199323715.db2.gz UVNSLQUPQAWIDD-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672731625 1199323717 /nfs/dbraw/zinc/32/37/17/1199323717.db2.gz UVNSLQUPQAWIDD-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672815283 1199342879 /nfs/dbraw/zinc/34/28/79/1199342879.db2.gz ZBCQWAJPDSSRJB-MRXNPFEDSA-N 2 1 383.537 0.027 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672815283 1199342884 /nfs/dbraw/zinc/34/28/84/1199342884.db2.gz ZBCQWAJPDSSRJB-MRXNPFEDSA-N 2 1 383.537 0.027 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672815283 1199342888 /nfs/dbraw/zinc/34/28/88/1199342888.db2.gz ZBCQWAJPDSSRJB-MRXNPFEDSA-N 2 1 383.537 0.027 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672856060 1199349243 /nfs/dbraw/zinc/34/92/43/1199349243.db2.gz LHNHJEJYADXVKN-CGTJXYLNSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672856060 1199349251 /nfs/dbraw/zinc/34/92/51/1199349251.db2.gz LHNHJEJYADXVKN-CGTJXYLNSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672856060 1199349255 /nfs/dbraw/zinc/34/92/55/1199349255.db2.gz LHNHJEJYADXVKN-CGTJXYLNSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672856060 1199349260 /nfs/dbraw/zinc/34/92/60/1199349260.db2.gz LHNHJEJYADXVKN-CGTJXYLNSA-N 2 1 380.533 0.735 20 0 GCADMP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854548 1199352567 /nfs/dbraw/zinc/35/25/67/1199352567.db2.gz QISANEJBKMUVIZ-GOSISDBHSA-N 2 1 387.528 0.432 20 0 GCADMP C[NH+](C)C1(CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000466020366 1199363202 /nfs/dbraw/zinc/36/32/02/1199363202.db2.gz YPOLCQVKENSPQK-FQEVSTJZSA-N 2 1 390.528 0.468 20 0 GCADMP COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccn1 ZINC000672966794 1199380131 /nfs/dbraw/zinc/38/01/31/1199380131.db2.gz AREGDSCQDICKQD-MRXNPFEDSA-N 2 1 375.473 0.656 20 0 GCADMP COc1cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccn1 ZINC000672966794 1199380137 /nfs/dbraw/zinc/38/01/37/1199380137.db2.gz AREGDSCQDICKQD-MRXNPFEDSA-N 2 1 375.473 0.656 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C2CCC2)C1 ZINC001003190851 1199445579 /nfs/dbraw/zinc/44/55/79/1199445579.db2.gz SMQARXYJQQNARF-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C2CCC2)C1 ZINC001003190851 1199445582 /nfs/dbraw/zinc/44/55/82/1199445582.db2.gz SMQARXYJQQNARF-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+](C)C2CCC2)C1 ZINC001003190851 1199445586 /nfs/dbraw/zinc/44/55/86/1199445586.db2.gz SMQARXYJQQNARF-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001003190851 1199445588 /nfs/dbraw/zinc/44/55/88/1199445588.db2.gz SMQARXYJQQNARF-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423116906 1199465289 /nfs/dbraw/zinc/46/52/89/1199465289.db2.gz SAIABDZTJQAVPT-IBGZPJMESA-N 2 1 376.526 0.789 20 0 GCADMP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000673284138 1199514982 /nfs/dbraw/zinc/51/49/82/1199514982.db2.gz WTUPVOURTRWIOE-IBGZPJMESA-N 2 1 388.512 0.595 20 0 GCADMP CN1Cc2ccccc2[C@H](NC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)C1 ZINC000673284139 1199515452 /nfs/dbraw/zinc/51/54/52/1199515452.db2.gz WTUPVOURTRWIOE-LJQANCHMSA-N 2 1 388.512 0.595 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000673427677 1199630023 /nfs/dbraw/zinc/63/00/23/1199630023.db2.gz GRMBHUGKXJPGCN-IRXDYDNUSA-N 2 1 382.549 0.792 20 0 GCADMP O=C(NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000673583592 1199829336 /nfs/dbraw/zinc/82/93/36/1199829336.db2.gz GEOYONHTKDSQPP-ROUUACIJSA-N 2 1 378.517 0.035 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673586374 1199831996 /nfs/dbraw/zinc/83/19/96/1199831996.db2.gz WPMHDUMDNSBHQJ-ZWQIFLOQSA-N 2 1 392.544 0.469 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926010 /nfs/dbraw/zinc/92/60/10/1199926010.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 2 1 386.540 0.908 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926011 /nfs/dbraw/zinc/92/60/11/1199926011.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926012 /nfs/dbraw/zinc/92/60/12/1199926012.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926014 /nfs/dbraw/zinc/92/60/14/1199926014.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668757 1199926015 /nfs/dbraw/zinc/92/60/15/1199926015.db2.gz IWJOLZLDXFKVQK-SIKLNZKXSA-N 3 1 386.540 0.908 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000625525493 1199999241 /nfs/dbraw/zinc/99/92/41/1199999241.db2.gz VHICTGBLXLUNJH-SFHVURJKSA-N 2 1 394.560 0.888 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000625525493 1199999242 /nfs/dbraw/zinc/99/92/42/1199999242.db2.gz VHICTGBLXLUNJH-SFHVURJKSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030864 1200126726 /nfs/dbraw/zinc/12/67/26/1200126726.db2.gz OVSUTRGKBURVAI-FHWLQOOXSA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030864 1200126731 /nfs/dbraw/zinc/12/67/31/1200126731.db2.gz OVSUTRGKBURVAI-FHWLQOOXSA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C ZINC000674030864 1200126737 /nfs/dbraw/zinc/12/67/37/1200126737.db2.gz OVSUTRGKBURVAI-FHWLQOOXSA-N 2 1 381.565 0.907 20 0 GCADMP CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000543578715 1200168881 /nfs/dbraw/zinc/16/88/81/1200168881.db2.gz WKIMXRVGSQTXHS-ZWKOTPCHSA-N 2 1 380.533 0.548 20 0 GCADMP CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000543578715 1200168888 /nfs/dbraw/zinc/16/88/88/1200168888.db2.gz WKIMXRVGSQTXHS-ZWKOTPCHSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)C[C@@H](C)O1 ZINC000171306344 1200207123 /nfs/dbraw/zinc/20/71/23/1200207123.db2.gz YEQPLMBNXNNISB-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CN1CC[NH+](C)CC1 ZINC000674324351 1200221133 /nfs/dbraw/zinc/22/11/33/1200221133.db2.gz XIAFYJYIXMEQFB-UHFFFAOYSA-N 2 1 379.593 0.889 20 0 GCADMP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000674321740 1200221521 /nfs/dbraw/zinc/22/15/21/1200221521.db2.gz XNQIQDNZULGTQH-GOSISDBHSA-N 2 1 380.533 0.548 20 0 GCADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000674321740 1200221523 /nfs/dbraw/zinc/22/15/23/1200221523.db2.gz XNQIQDNZULGTQH-GOSISDBHSA-N 2 1 380.533 0.548 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526487 1200404476 /nfs/dbraw/zinc/40/44/76/1200404476.db2.gz YPOHZZRUVUWMMX-DLBZAZTESA-N 2 1 391.516 0.237 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccco1 ZINC000670526487 1200404477 /nfs/dbraw/zinc/40/44/77/1200404477.db2.gz YPOHZZRUVUWMMX-DLBZAZTESA-N 2 1 391.516 0.237 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000670527146 1200405489 /nfs/dbraw/zinc/40/54/89/1200405489.db2.gz HBCWVUONWQCMMK-QGZVFWFLSA-N 2 1 394.560 0.984 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047696 1200480304 /nfs/dbraw/zinc/48/03/04/1200480304.db2.gz UDSDKTCVXOANMZ-SXLOBPIMSA-N 3 1 393.576 0.832 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047696 1200480313 /nfs/dbraw/zinc/48/03/13/1200480313.db2.gz UDSDKTCVXOANMZ-SXLOBPIMSA-N 3 1 393.576 0.832 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000676169425 1200505193 /nfs/dbraw/zinc/50/51/93/1200505193.db2.gz XLZOOPLSGYNKAZ-SLFFLAALSA-N 2 1 393.576 0.786 20 0 GCADMP C[C@@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245043 1200515478 /nfs/dbraw/zinc/51/54/78/1200515478.db2.gz ZHCDYLVSOKAWIW-QAPCUYQASA-N 2 1 391.516 0.496 20 0 GCADMP C[C@@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245043 1200515485 /nfs/dbraw/zinc/51/54/85/1200515485.db2.gz ZHCDYLVSOKAWIW-QAPCUYQASA-N 2 1 391.516 0.496 20 0 GCADMP C[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676306519 1200541039 /nfs/dbraw/zinc/54/10/39/1200541039.db2.gz VHBZTKDZDCVTDI-AKHDSKFASA-N 2 1 381.565 0.906 20 0 GCADMP C[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306519 1200541044 /nfs/dbraw/zinc/54/10/44/1200541044.db2.gz VHBZTKDZDCVTDI-AKHDSKFASA-N 2 1 381.565 0.906 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[NH+](C)CCO1 ZINC000676305708 1200541777 /nfs/dbraw/zinc/54/17/77/1200541777.db2.gz IKYQXLXBZKHDPB-NBYUQASBSA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[NH+](C)CCO1 ZINC000676305708 1200541785 /nfs/dbraw/zinc/54/17/85/1200541785.db2.gz IKYQXLXBZKHDPB-NBYUQASBSA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[N@H+](C)CCO1 ZINC000676305708 1200541788 /nfs/dbraw/zinc/54/17/88/1200541788.db2.gz IKYQXLXBZKHDPB-NBYUQASBSA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[N@@H+](C)CCO1 ZINC000676305708 1200541793 /nfs/dbraw/zinc/54/17/93/1200541793.db2.gz IKYQXLXBZKHDPB-NBYUQASBSA-N 2 1 390.528 0.888 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)n1 ZINC000676546863 1200569977 /nfs/dbraw/zinc/56/99/77/1200569977.db2.gz SEBAXEDCFXPRMV-INIZCTEOSA-N 2 1 392.504 0.097 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000366739531 1200637764 /nfs/dbraw/zinc/63/77/64/1200637764.db2.gz WIKOHZKNCMTWRK-KRWDZBQOSA-N 2 1 390.532 1.297 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427549856 1200713426 /nfs/dbraw/zinc/71/34/26/1200713426.db2.gz MUOKOPKBETUZOJ-INIZCTEOSA-N 2 1 390.532 1.182 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000477030002 1200788563 /nfs/dbraw/zinc/78/85/63/1200788563.db2.gz UYENIWNXRGVVLJ-APWZRJJASA-N 2 1 390.528 0.716 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376079542 1200901343 /nfs/dbraw/zinc/90/13/43/1200901343.db2.gz HLRKZSGPWRHMRR-QGZVFWFLSA-N 2 1 391.564 1.545 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378183 1200973236 /nfs/dbraw/zinc/97/32/36/1200973236.db2.gz BZTPHHAFISQLMZ-QXAKKESOSA-N 2 1 392.475 0.786 20 0 GCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000923488950 1201042954 /nfs/dbraw/zinc/04/29/54/1201042954.db2.gz CGFNCCCSQPAWCS-INIZCTEOSA-N 2 1 380.514 0.190 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3nnnn3-c3ccccc3)cn2)CC1 ZINC000509435936 1201123256 /nfs/dbraw/zinc/12/32/56/1201123256.db2.gz ADMMWWOPMWLNIO-UHFFFAOYSA-N 2 1 379.472 0.536 20 0 GCADMP COc1cc2[nH+]c(NC[C@@H](O)C[NH+]3CCC(C)CC3)nc(N)c2cc1OC ZINC000427372483 1201133346 /nfs/dbraw/zinc/13/33/46/1201133346.db2.gz NQWMRCXZJGBGBK-CYBMUJFWSA-N 2 1 375.473 1.156 20 0 GCADMP COC(=O)C1CCN(C(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000611181162 1201221004 /nfs/dbraw/zinc/22/10/04/1201221004.db2.gz RRSRGIFAXUPXAZ-UHFFFAOYSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@@H]1C[N@@H+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079725015 1201254899 /nfs/dbraw/zinc/25/48/99/1201254899.db2.gz QYBBPNMFFXGFEN-KBUPBQIOSA-N 2 1 379.505 0.094 20 0 GCADMP C[C@@H]1C[NH+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079725015 1201254904 /nfs/dbraw/zinc/25/49/04/1201254904.db2.gz QYBBPNMFFXGFEN-KBUPBQIOSA-N 2 1 379.505 0.094 20 0 GCADMP C[C@@H]1C[NH+](CCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079725015 1201254906 /nfs/dbraw/zinc/25/49/06/1201254906.db2.gz QYBBPNMFFXGFEN-KBUPBQIOSA-N 2 1 379.505 0.094 20 0 GCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001079950328 1201259921 /nfs/dbraw/zinc/25/99/21/1201259921.db2.gz MYSJHCWZBMZFPD-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)cc1 ZINC001079950328 1201259926 /nfs/dbraw/zinc/25/99/26/1201259926.db2.gz MYSJHCWZBMZFPD-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001079950328 1201259928 /nfs/dbraw/zinc/25/99/28/1201259928.db2.gz MYSJHCWZBMZFPD-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](C)[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)cc1 ZINC001079950328 1201259934 /nfs/dbraw/zinc/25/99/34/1201259934.db2.gz MYSJHCWZBMZFPD-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082590216 1201339270 /nfs/dbraw/zinc/33/92/70/1201339270.db2.gz KASYXPKCNDTRMH-BRSBDYLESA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC001082590216 1201339274 /nfs/dbraw/zinc/33/92/74/1201339274.db2.gz KASYXPKCNDTRMH-BRSBDYLESA-N 2 1 380.533 0.545 20 0 GCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085820 1201384005 /nfs/dbraw/zinc/38/40/05/1201384005.db2.gz NJVIBCQUBNLTQG-MXASKKJJSA-N 2 1 377.489 0.562 20 0 GCADMP Cc1noc(CCC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085820 1201384013 /nfs/dbraw/zinc/38/40/13/1201384013.db2.gz NJVIBCQUBNLTQG-MXASKKJJSA-N 2 1 377.489 0.562 20 0 GCADMP Cc1noc(CCC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085820 1201384020 /nfs/dbraw/zinc/38/40/20/1201384020.db2.gz NJVIBCQUBNLTQG-MXASKKJJSA-N 2 1 377.489 0.562 20 0 GCADMP Cc1noc(CCC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085820 1201384026 /nfs/dbraw/zinc/38/40/26/1201384026.db2.gz NJVIBCQUBNLTQG-MXASKKJJSA-N 2 1 377.489 0.562 20 0 GCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000731134802 1201474168 /nfs/dbraw/zinc/47/41/68/1201474168.db2.gz QYCYSCTVRUDTAK-KRWDZBQOSA-N 2 1 385.512 0.977 20 0 GCADMP O=C(CC[NH+]1CCOCC1)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000732113548 1201523035 /nfs/dbraw/zinc/52/30/35/1201523035.db2.gz XDTHXCLTMSFGDG-UHFFFAOYSA-N 2 1 388.512 0.851 20 0 GCADMP C[NH+]1CC[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000742567670 1201802097 /nfs/dbraw/zinc/80/20/97/1201802097.db2.gz SRKVBZFTOATQAP-VXGBXAGGSA-N 2 1 382.402 0.393 20 0 GCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134920 1201933095 /nfs/dbraw/zinc/93/30/95/1201933095.db2.gz XERVXPMDVHGILC-BWTSREIZSA-N 3 1 377.577 0.782 20 0 GCADMP CN1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC3(CC1)C(=O)N(CC[NH+](C)C)CCN3C)C2 ZINC001169134920 1201933098 /nfs/dbraw/zinc/93/30/98/1201933098.db2.gz XERVXPMDVHGILC-BWTSREIZSA-N 2 1 377.577 0.782 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cc[nH+]c1CCC[NH3+] ZINC001169194696 1201935996 /nfs/dbraw/zinc/93/59/96/1201935996.db2.gz COCFKQQYXZBGEX-AWEZNQCLSA-N 2 1 387.488 0.953 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001169170677 1201937138 /nfs/dbraw/zinc/93/71/38/1201937138.db2.gz ZXLSWYCLFCHRMP-JKSUJKDBSA-N 2 1 390.532 0.924 20 0 GCADMP CS(=O)(=O)N1CCN(CCNc2ccc3c(C4C[NH2+]C4)[nH+]cn3c2)CC1 ZINC001169338691 1201943329 /nfs/dbraw/zinc/94/33/29/1201943329.db2.gz WZFKJBFXAFROCP-UHFFFAOYSA-N 2 1 378.502 0.010 20 0 GCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729084 1201955659 /nfs/dbraw/zinc/95/56/59/1201955659.db2.gz QMSLZCCSZRQPFQ-HOTGVXAUSA-N 2 1 375.473 0.686 20 0 GCADMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCNC(C)=O ZINC001109371742 1202031430 /nfs/dbraw/zinc/03/14/30/1202031430.db2.gz SKZWHILNQFBDOM-XWSJACJDSA-N 2 1 380.533 0.735 20 0 GCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001109371742 1202031433 /nfs/dbraw/zinc/03/14/33/1202031433.db2.gz SKZWHILNQFBDOM-XWSJACJDSA-N 2 1 380.533 0.735 20 0 GCADMP CCC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O ZINC001109371742 1202031435 /nfs/dbraw/zinc/03/14/35/1202031435.db2.gz SKZWHILNQFBDOM-XWSJACJDSA-N 2 1 380.533 0.735 20 0 GCADMP CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399789 1202037845 /nfs/dbraw/zinc/03/78/45/1202037845.db2.gz XCJIWXWNLPOPLX-WCVJEAGWSA-N 2 1 379.505 0.426 20 0 GCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001109462262 1202056434 /nfs/dbraw/zinc/05/64/34/1202056434.db2.gz HQFXOWNRKWORLK-NCOADZHNSA-N 2 1 382.549 0.979 20 0 GCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001109462262 1202056436 /nfs/dbraw/zinc/05/64/36/1202056436.db2.gz HQFXOWNRKWORLK-NCOADZHNSA-N 2 1 382.549 0.979 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001109462262 1202056439 /nfs/dbraw/zinc/05/64/39/1202056439.db2.gz HQFXOWNRKWORLK-NCOADZHNSA-N 2 1 382.549 0.979 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001109462262 1202056442 /nfs/dbraw/zinc/05/64/42/1202056442.db2.gz HQFXOWNRKWORLK-NCOADZHNSA-N 2 1 382.549 0.979 20 0 GCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538729 1202076094 /nfs/dbraw/zinc/07/60/94/1202076094.db2.gz PMRLALCXTKDWOA-OWEAFNKSSA-N 2 1 379.501 0.234 20 0 GCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538729 1202076095 /nfs/dbraw/zinc/07/60/95/1202076095.db2.gz PMRLALCXTKDWOA-OWEAFNKSSA-N 2 1 379.501 0.234 20 0 GCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538729 1202076097 /nfs/dbraw/zinc/07/60/97/1202076097.db2.gz PMRLALCXTKDWOA-OWEAFNKSSA-N 2 1 379.501 0.234 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C2 ZINC001109643552 1202096648 /nfs/dbraw/zinc/09/66/48/1202096648.db2.gz NRVZIVQAPOCNQU-UJCHZGTJSA-N 2 1 380.533 0.591 20 0 GCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643552 1202096650 /nfs/dbraw/zinc/09/66/50/1202096650.db2.gz NRVZIVQAPOCNQU-UJCHZGTJSA-N 2 1 380.533 0.591 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001109643552 1202096651 /nfs/dbraw/zinc/09/66/51/1202096651.db2.gz NRVZIVQAPOCNQU-UJCHZGTJSA-N 2 1 380.533 0.591 20 0 GCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655481 1202099295 /nfs/dbraw/zinc/09/92/95/1202099295.db2.gz YADNRWPBBOBPHF-FZKCQIBNSA-N 2 1 381.521 0.672 20 0 GCADMP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655481 1202099298 /nfs/dbraw/zinc/09/92/98/1202099298.db2.gz YADNRWPBBOBPHF-FZKCQIBNSA-N 2 1 381.521 0.672 20 0 GCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655482 1202099378 /nfs/dbraw/zinc/09/93/78/1202099378.db2.gz YADNRWPBBOBPHF-WCVJEAGWSA-N 2 1 381.521 0.672 20 0 GCADMP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655482 1202099380 /nfs/dbraw/zinc/09/93/80/1202099380.db2.gz YADNRWPBBOBPHF-WCVJEAGWSA-N 2 1 381.521 0.672 20 0 GCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673277 1202103476 /nfs/dbraw/zinc/10/34/76/1202103476.db2.gz GSZMRYAJCAGNPK-XGUBFFRZSA-N 2 1 381.521 0.672 20 0 GCADMP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673277 1202103477 /nfs/dbraw/zinc/10/34/77/1202103477.db2.gz GSZMRYAJCAGNPK-XGUBFFRZSA-N 2 1 381.521 0.672 20 0 GCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001109714372 1202109785 /nfs/dbraw/zinc/10/97/85/1202109785.db2.gz ICIHZHLCRIWSOP-QXSJWSMHSA-N 2 1 379.505 0.380 20 0 GCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001109714372 1202109789 /nfs/dbraw/zinc/10/97/89/1202109789.db2.gz ICIHZHLCRIWSOP-QXSJWSMHSA-N 2 1 379.505 0.380 20 0 GCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729174 1202113289 /nfs/dbraw/zinc/11/32/89/1202113289.db2.gz XLCGBKXPKAZXLJ-ZRNYENFQSA-N 2 1 375.513 0.890 20 0 GCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729174 1202113290 /nfs/dbraw/zinc/11/32/90/1202113290.db2.gz XLCGBKXPKAZXLJ-ZRNYENFQSA-N 2 1 375.513 0.890 20 0 GCADMP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109729174 1202113291 /nfs/dbraw/zinc/11/32/91/1202113291.db2.gz XLCGBKXPKAZXLJ-ZRNYENFQSA-N 2 1 375.513 0.890 20 0 GCADMP COC[C@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109729174 1202113292 /nfs/dbraw/zinc/11/32/92/1202113292.db2.gz XLCGBKXPKAZXLJ-ZRNYENFQSA-N 2 1 375.513 0.890 20 0 GCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728938 1202113384 /nfs/dbraw/zinc/11/33/84/1202113384.db2.gz KOAMPGABSNVIAH-BDXSIMOUSA-N 2 1 377.533 0.943 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728938 1202113386 /nfs/dbraw/zinc/11/33/86/1202113386.db2.gz KOAMPGABSNVIAH-BDXSIMOUSA-N 2 1 377.533 0.943 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728938 1202113388 /nfs/dbraw/zinc/11/33/88/1202113388.db2.gz KOAMPGABSNVIAH-BDXSIMOUSA-N 2 1 377.533 0.943 20 0 GCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCCC2=O)CC1 ZINC001109900426 1202145950 /nfs/dbraw/zinc/14/59/50/1202145950.db2.gz OWBCLPHWLNTHHE-NJAFHUGGSA-N 2 1 378.517 0.441 20 0 GCADMP CC(C)N(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902656 1202146591 /nfs/dbraw/zinc/14/65/91/1202146591.db2.gz UXSQUQQUUNXVTD-NJAFHUGGSA-N 2 1 380.533 0.686 20 0 GCADMP CC(C)N(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902656 1202146593 /nfs/dbraw/zinc/14/65/93/1202146593.db2.gz UXSQUQQUUNXVTD-NJAFHUGGSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1CCCCN1C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977573 1202165305 /nfs/dbraw/zinc/16/53/05/1202165305.db2.gz PJSZDUVMIQAFRR-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977573 1202165306 /nfs/dbraw/zinc/16/53/06/1202165306.db2.gz PJSZDUVMIQAFRR-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979953 1202165928 /nfs/dbraw/zinc/16/59/28/1202165928.db2.gz GOHZGKGUORHPFJ-NCOADZHNSA-N 2 1 382.549 0.979 20 0 GCADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979953 1202165929 /nfs/dbraw/zinc/16/59/29/1202165929.db2.gz GOHZGKGUORHPFJ-NCOADZHNSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@H](C(=O)NC1CCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980745 1202166444 /nfs/dbraw/zinc/16/64/44/1202166444.db2.gz YVMQLTNPHVIJNC-BGTYHANMSA-N 2 1 380.533 0.733 20 0 GCADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980745 1202166445 /nfs/dbraw/zinc/16/64/45/1202166445.db2.gz YVMQLTNPHVIJNC-BGTYHANMSA-N 2 1 380.533 0.733 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787703831 1205399099 /nfs/dbraw/zinc/39/90/99/1205399099.db2.gz DNTTXIDMBZXCHZ-XDNAFOTISA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787703831 1205399100 /nfs/dbraw/zinc/39/91/00/1205399100.db2.gz DNTTXIDMBZXCHZ-XDNAFOTISA-N 2 1 380.533 0.450 20 0 GCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787893990 1205405168 /nfs/dbraw/zinc/40/51/68/1205405168.db2.gz HJINEBFJJOGUQA-ROUUACIJSA-N 2 1 380.533 0.594 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000788912063 1205433104 /nfs/dbraw/zinc/43/31/04/1205433104.db2.gz BNBXWDHIKQCPCJ-UHFFFAOYSA-N 2 1 382.549 0.984 20 0 GCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273887 1205461660 /nfs/dbraw/zinc/46/16/60/1205461660.db2.gz OLMXRJKVYRQXJR-OKZBNKHCSA-N 2 1 378.517 0.489 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747113047 1205498313 /nfs/dbraw/zinc/49/83/13/1205498313.db2.gz QXNNXVGBXYVDLS-SJORKVTESA-N 2 1 398.548 0.796 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747113047 1205498314 /nfs/dbraw/zinc/49/83/14/1205498314.db2.gz QXNNXVGBXYVDLS-SJORKVTESA-N 2 1 398.548 0.796 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)c1 ZINC000793872021 1205508280 /nfs/dbraw/zinc/50/82/80/1205508280.db2.gz WRDMURGCGTUVHR-MOPGFXCFSA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000793872021 1205508282 /nfs/dbraw/zinc/50/82/82/1205508282.db2.gz WRDMURGCGTUVHR-MOPGFXCFSA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000793872021 1205508284 /nfs/dbraw/zinc/50/82/84/1205508284.db2.gz WRDMURGCGTUVHR-MOPGFXCFSA-N 2 1 388.512 0.734 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110102224 1205513629 /nfs/dbraw/zinc/51/36/29/1205513629.db2.gz WLUPTKVSLMEBPH-KBXIAJHMSA-N 2 1 379.423 0.744 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110102224 1205513631 /nfs/dbraw/zinc/51/36/31/1205513631.db2.gz WLUPTKVSLMEBPH-KBXIAJHMSA-N 2 1 379.423 0.744 20 0 GCADMP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)nc12 ZINC000806537732 1205558321 /nfs/dbraw/zinc/55/83/21/1205558321.db2.gz VCZRVFVZHNCOQT-SJORKVTESA-N 2 1 385.468 0.281 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)CC[N@H+]1C ZINC001086700167 1205660154 /nfs/dbraw/zinc/66/01/54/1205660154.db2.gz AZJRSEFRKIHDQF-QKPAOTATSA-N 2 1 393.532 0.532 20 0 GCADMP CCCc1nnc(SCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1N ZINC000813418985 1205675842 /nfs/dbraw/zinc/67/58/42/1205675842.db2.gz AURHPODWNNRSOF-UHFFFAOYSA-N 2 1 390.517 0.822 20 0 GCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)S(C)(=O)=O)cn1 ZINC001172119678 1205713104 /nfs/dbraw/zinc/71/31/04/1205713104.db2.gz YUKNNNRYODQCIF-BRIYLRKRSA-N 2 1 395.573 0.970 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001172257885 1205715141 /nfs/dbraw/zinc/71/51/41/1205715141.db2.gz RLDILHGGYYMCNM-GOSISDBHSA-N 2 1 380.533 0.356 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001172257885 1205715142 /nfs/dbraw/zinc/71/51/42/1205715142.db2.gz RLDILHGGYYMCNM-GOSISDBHSA-N 2 1 380.533 0.356 20 0 GCADMP CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251045 1205715324 /nfs/dbraw/zinc/71/53/24/1205715324.db2.gz LEVHZSBTKLMKKC-QUCCMNQESA-N 2 1 383.533 0.873 20 0 GCADMP CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251045 1205715326 /nfs/dbraw/zinc/71/53/26/1205715326.db2.gz LEVHZSBTKLMKKC-QUCCMNQESA-N 2 1 383.533 0.873 20 0 GCADMP COC(=O)[C@H]1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612625 1205716542 /nfs/dbraw/zinc/71/65/42/1205716542.db2.gz COSAHIPPEQPJLT-BSDSXHPESA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612625 1205716543 /nfs/dbraw/zinc/71/65/43/1205716543.db2.gz COSAHIPPEQPJLT-BSDSXHPESA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612625 1205716544 /nfs/dbraw/zinc/71/65/44/1205716544.db2.gz COSAHIPPEQPJLT-BSDSXHPESA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)N1CCC([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172738420 1205716917 /nfs/dbraw/zinc/71/69/17/1205716917.db2.gz SPQBJUJTOIZIMP-NVXWUHKLSA-N 2 1 382.505 0.328 20 0 GCADMP COC(=O)N1CCC([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172738420 1205716918 /nfs/dbraw/zinc/71/69/18/1205716918.db2.gz SPQBJUJTOIZIMP-NVXWUHKLSA-N 2 1 382.505 0.328 20 0 GCADMP COC(=O)N1CCC([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CC1 ZINC001172738420 1205716919 /nfs/dbraw/zinc/71/69/19/1205716919.db2.gz SPQBJUJTOIZIMP-NVXWUHKLSA-N 2 1 382.505 0.328 20 0 GCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517937 1205723195 /nfs/dbraw/zinc/72/31/95/1205723195.db2.gz TYNZUQWKCIVMJK-MOPGFXCFSA-N 2 1 388.512 0.799 20 0 GCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749970 1205727305 /nfs/dbraw/zinc/72/73/05/1205727305.db2.gz DJAHNQOITLWWSY-MSOLQXFVSA-N 2 1 385.516 0.981 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755731 1205727685 /nfs/dbraw/zinc/72/76/85/1205727685.db2.gz WBDPUFVNZGNYHJ-VSZNYVQBSA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755731 1205727687 /nfs/dbraw/zinc/72/76/87/1205727687.db2.gz WBDPUFVNZGNYHJ-VSZNYVQBSA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755731 1205727688 /nfs/dbraw/zinc/72/76/88/1205727688.db2.gz WBDPUFVNZGNYHJ-VSZNYVQBSA-N 2 1 391.520 0.268 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173763400 1205727950 /nfs/dbraw/zinc/72/79/50/1205727950.db2.gz REMPYLVGFGEMRV-IRXDYDNUSA-N 2 1 397.531 0.799 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173763400 1205727952 /nfs/dbraw/zinc/72/79/52/1205727952.db2.gz REMPYLVGFGEMRV-IRXDYDNUSA-N 2 1 397.531 0.799 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173763402 1205728002 /nfs/dbraw/zinc/72/80/02/1205728002.db2.gz REMPYLVGFGEMRV-SJORKVTESA-N 2 1 397.531 0.799 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CCC[C@H](n4ncnn4)C2)CC3)CC1 ZINC001173763402 1205728003 /nfs/dbraw/zinc/72/80/03/1205728003.db2.gz REMPYLVGFGEMRV-SJORKVTESA-N 2 1 397.531 0.799 20 0 GCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccn[nH]2)[C@@H](O)OC(C)(C)C)C1 ZINC001175762210 1205741022 /nfs/dbraw/zinc/74/10/22/1205741022.db2.gz QIMDXQZJMQBGQJ-ADBDHWBDSA-N 2 1 397.520 0.248 20 0 GCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190801 1205742254 /nfs/dbraw/zinc/74/22/54/1205742254.db2.gz QYBQKMXWPATBGO-FZKCQIBNSA-N 2 1 379.505 0.557 20 0 GCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190801 1205742255 /nfs/dbraw/zinc/74/22/55/1205742255.db2.gz QYBQKMXWPATBGO-FZKCQIBNSA-N 2 1 379.505 0.557 20 0 GCADMP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176542501 1205748288 /nfs/dbraw/zinc/74/82/88/1205748288.db2.gz KYCYBQVGBJKBNQ-ARFHVFGLSA-N 2 1 384.521 0.499 20 0 GCADMP COCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000148653071 1205751770 /nfs/dbraw/zinc/75/17/70/1205751770.db2.gz FDEGOISRHMAEMW-UHFFFAOYSA-N 2 1 386.456 0.741 20 0 GCADMP CN(C)C(=O)COc1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001177753332 1205776388 /nfs/dbraw/zinc/77/63/88/1205776388.db2.gz CVVSVWMNYCNRCS-KRWDZBQOSA-N 2 1 376.501 0.831 20 0 GCADMP CN(C)C(=O)COc1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001177753332 1205776389 /nfs/dbraw/zinc/77/63/89/1205776389.db2.gz CVVSVWMNYCNRCS-KRWDZBQOSA-N 2 1 376.501 0.831 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)cn2)CC1 ZINC001178791190 1205794595 /nfs/dbraw/zinc/79/45/95/1205794595.db2.gz SJGCAWCVGLVBGN-UHFFFAOYSA-N 2 1 381.546 0.921 20 0 GCADMP Cc1ccc(N(C(=O)CN2CC[NH+](C)CC2)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001178949800 1205797394 /nfs/dbraw/zinc/79/73/94/1205797394.db2.gz WXKPDDQTTRGFCX-XLIONFOSSA-N 2 1 388.516 0.277 20 0 GCADMP Cc1ccc(N(C(=O)CN2CC[NH+](C)CC2)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001178949796 1205797418 /nfs/dbraw/zinc/79/74/18/1205797418.db2.gz WXKPDDQTTRGFCX-FXAWDEMLSA-N 2 1 388.516 0.277 20 0 GCADMP C[C@@H]([NH3+])c1cc(F)c(N(C(=O)CN2CC[NH+](C)CC2)S(C)(=O)=O)c(F)c1 ZINC001178955787 1205797889 /nfs/dbraw/zinc/79/78/89/1205797889.db2.gz BKLNXAYPOHNNBF-LLVKDONJSA-N 2 1 390.456 0.525 20 0 GCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC3([NH+]4CCCC4)COC3)CC2)CC1 ZINC001179014720 1205799632 /nfs/dbraw/zinc/79/96/32/1205799632.db2.gz MHYOQENXJBRRBC-UHFFFAOYSA-N 2 1 392.544 0.690 20 0 GCADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3(C[NH3+])COC3)C2)CC1 ZINC001179380883 1205809249 /nfs/dbraw/zinc/80/92/49/1205809249.db2.gz WIGBIQQBXFZKJW-OAHLLOKOSA-N 2 1 396.532 0.942 20 0 GCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C[N@@H+](C)C1CCCC1)CC2 ZINC001180627296 1205828776 /nfs/dbraw/zinc/82/87/76/1205828776.db2.gz FBHZFQFMVOEQHJ-UHFFFAOYSA-N 3 1 393.576 0.558 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978309 1205852714 /nfs/dbraw/zinc/85/27/14/1205852714.db2.gz NTPGLWBWKSRREU-FXAWDEMLSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978309 1205852716 /nfs/dbraw/zinc/85/27/16/1205852716.db2.gz NTPGLWBWKSRREU-FXAWDEMLSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C3)C2)C1 ZINC001181978309 1205852718 /nfs/dbraw/zinc/85/27/18/1205852718.db2.gz NTPGLWBWKSRREU-FXAWDEMLSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CC[N@H+](C(C)C)C3)C2)C1 ZINC001181978309 1205852720 /nfs/dbraw/zinc/85/27/20/1205852720.db2.gz NTPGLWBWKSRREU-FXAWDEMLSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181996356 1205853035 /nfs/dbraw/zinc/85/30/35/1205853035.db2.gz PKZNKIOQOQSCQA-GOSISDBHSA-N 2 1 393.576 0.558 20 0 GCADMP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000774471932 1205874058 /nfs/dbraw/zinc/87/40/58/1205874058.db2.gz RTKSCNZJXQSIND-UHFFFAOYSA-N 2 1 376.501 0.545 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000774470785 1205874100 /nfs/dbraw/zinc/87/41/00/1205874100.db2.gz OKAFXVGYJUNHKN-UHFFFAOYSA-N 2 1 380.533 0.738 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251365 1205919412 /nfs/dbraw/zinc/91/94/12/1205919412.db2.gz NPBQANYWOZKJHB-UHOSZYNNSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251365 1205919413 /nfs/dbraw/zinc/91/94/13/1205919413.db2.gz NPBQANYWOZKJHB-UHOSZYNNSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251365 1205919414 /nfs/dbraw/zinc/91/94/14/1205919414.db2.gz NPBQANYWOZKJHB-UHOSZYNNSA-N 2 1 376.476 0.735 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(N)=O)oc1C ZINC001186357997 1205938601 /nfs/dbraw/zinc/93/86/01/1205938601.db2.gz OJHLHDJGYDSIGW-CQSZACIVSA-N 2 1 386.518 0.724 20 0 GCADMP CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])C1 ZINC001186810994 1205949459 /nfs/dbraw/zinc/94/94/59/1205949459.db2.gz NTBNFLNUKYAHPY-AUUYWEPGSA-N 2 1 396.488 0.558 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001187958108 1205972052 /nfs/dbraw/zinc/97/20/52/1205972052.db2.gz JFHFMZTVBOIQTP-YYIAUSFCSA-N 2 1 379.549 0.957 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCNC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001187958108 1205972054 /nfs/dbraw/zinc/97/20/54/1205972054.db2.gz JFHFMZTVBOIQTP-YYIAUSFCSA-N 2 1 379.549 0.957 20 0 GCADMP CCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971567 1205972842 /nfs/dbraw/zinc/97/28/42/1205972842.db2.gz QNLKTEXLKXNSAJ-CAOSSQGBSA-N 2 1 379.505 0.095 20 0 GCADMP CCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971567 1205972844 /nfs/dbraw/zinc/97/28/44/1205972844.db2.gz QNLKTEXLKXNSAJ-CAOSSQGBSA-N 2 1 379.505 0.095 20 0 GCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971567 1205972848 /nfs/dbraw/zinc/97/28/48/1205972848.db2.gz QNLKTEXLKXNSAJ-CAOSSQGBSA-N 2 1 379.505 0.095 20 0 GCADMP CCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971567 1205972850 /nfs/dbraw/zinc/97/28/50/1205972850.db2.gz QNLKTEXLKXNSAJ-CAOSSQGBSA-N 2 1 379.505 0.095 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNS(=O)(=O)CC)C[C@H]32)CC[N@@H+]1C ZINC001187971660 1205973153 /nfs/dbraw/zinc/97/31/53/1205973153.db2.gz VWEMOOJOGXWKSX-MWDXBVQZSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNS(=O)(=O)CC)C[C@H]32)CC[N@H+]1C ZINC001187971660 1205973156 /nfs/dbraw/zinc/97/31/56/1205973156.db2.gz VWEMOOJOGXWKSX-MWDXBVQZSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCNS(=O)(=O)CC)C[C@H]32)CC[NH+]1C ZINC001187971660 1205973158 /nfs/dbraw/zinc/97/31/58/1205973158.db2.gz VWEMOOJOGXWKSX-MWDXBVQZSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCNS(=O)(=O)CC)C[C@H]32)CC[NH+]1C ZINC001187971660 1205973161 /nfs/dbraw/zinc/97/31/61/1205973161.db2.gz VWEMOOJOGXWKSX-MWDXBVQZSA-N 2 1 386.562 0.189 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164683899 719700286 /nfs/dbraw/zinc/70/02/86/719700286.db2.gz LUVAHAKPQXOJLM-UHFFFAOYSA-N 2 1 387.532 0.409 20 0 GCADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164743678 720620475 /nfs/dbraw/zinc/62/04/75/720620475.db2.gz PZMVCYGWFMOIKX-IAGOWNOFSA-N 2 1 396.499 0.360 20 0 GCADMP c1ncc(O[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)cn1 ZINC001164743762 720708957 /nfs/dbraw/zinc/70/89/57/720708957.db2.gz YEVVOGOAQGTIBQ-HOTGVXAUSA-N 2 1 382.472 0.018 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737772 720738918 /nfs/dbraw/zinc/73/89/18/720738918.db2.gz CQNKYZCTCRIWHV-ROUUACIJSA-N 2 1 381.484 0.623 20 0 GCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164866031 721061154 /nfs/dbraw/zinc/06/11/54/721061154.db2.gz BTIRVDXVJCWRKN-RTBURBONSA-N 2 1 395.511 0.761 20 0 GCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889763 721422619 /nfs/dbraw/zinc/42/26/19/721422619.db2.gz RJSXLHBTJZHHCE-GHTZIAJQSA-N 2 1 386.544 0.888 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001571264615 945488301 /nfs/dbraw/zinc/48/83/01/945488301.db2.gz SDMJZVPQWROQTK-HNNXBMFYSA-N 2 1 385.472 0.375 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001571264615 945488309 /nfs/dbraw/zinc/48/83/09/945488309.db2.gz SDMJZVPQWROQTK-HNNXBMFYSA-N 2 1 385.472 0.375 20 0 GCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264701 945490459 /nfs/dbraw/zinc/49/04/59/945490459.db2.gz UQGUPTZEPCVLHR-UKPHBRMFSA-N 2 1 385.472 0.182 20 0 GCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264701 945490461 /nfs/dbraw/zinc/49/04/61/945490461.db2.gz UQGUPTZEPCVLHR-UKPHBRMFSA-N 2 1 385.472 0.182 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825919284 947371829 /nfs/dbraw/zinc/37/18/29/947371829.db2.gz YAHGDBQCXQKKFK-UHFFFAOYSA-N 2 1 386.504 0.765 20 0 GCADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263783 949406061 /nfs/dbraw/zinc/40/60/61/949406061.db2.gz JMBPOAWBHXQXSR-OCCSQVGLSA-N 2 1 387.463 0.894 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711651 949545613 /nfs/dbraw/zinc/54/56/13/949545613.db2.gz JXEBQUXRJFDJFT-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872604 949551449 /nfs/dbraw/zinc/55/14/49/949551449.db2.gz KGGXCSSTXZJWEV-ZFWWWQNUSA-N 2 1 382.472 0.831 20 0 GCADMP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872603 949553586 /nfs/dbraw/zinc/55/35/86/949553586.db2.gz KGGXCSSTXZJWEV-UKRRQHHQSA-N 2 1 382.472 0.831 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957435 949614639 /nfs/dbraw/zinc/61/46/39/949614639.db2.gz XXWPCQAYBAQXOL-OUCADQQQSA-N 2 1 375.452 0.940 20 0 GCADMP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574157628 950247072 /nfs/dbraw/zinc/24/70/72/950247072.db2.gz FJHKYAKUVAJDSM-RBSFLKMASA-N 2 1 386.504 0.967 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193289 950292828 /nfs/dbraw/zinc/29/28/28/950292828.db2.gz SCWIHEWAASTYMW-GUYCJALGSA-N 2 1 384.488 0.674 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196765 950369788 /nfs/dbraw/zinc/36/97/88/950369788.db2.gz HMYMHZJBWRBZLQ-LSDHHAIUSA-N 2 1 384.488 0.818 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(C)(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576196986 950376793 /nfs/dbraw/zinc/37/67/93/950376793.db2.gz LAFXLJTZFQCEDS-CQSZACIVSA-N 2 1 384.488 0.818 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207630 950593247 /nfs/dbraw/zinc/59/32/47/950593247.db2.gz HWKVEQHWAXJIFD-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576207631 950593274 /nfs/dbraw/zinc/59/32/74/950593274.db2.gz HWKVEQHWAXJIFD-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208353 950609847 /nfs/dbraw/zinc/60/98/47/950609847.db2.gz OHYQMNWNTQUHDC-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208944 950620644 /nfs/dbraw/zinc/62/06/44/950620644.db2.gz VNCWAGJRFJPRKY-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575077419 951668097 /nfs/dbraw/zinc/66/80/97/951668097.db2.gz CLURMTORVRUJHD-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079479 951691935 /nfs/dbraw/zinc/69/19/35/951691935.db2.gz PZADLYAMZKXDJZ-BLLLJJGKSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079489 951692127 /nfs/dbraw/zinc/69/21/27/951692127.db2.gz PZADLYAMZKXDJZ-WBMJQRKESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089033 951746298 /nfs/dbraw/zinc/74/62/98/951746298.db2.gz CQLJCVLRRSEHKI-BLLLJJGKSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089033 951746304 /nfs/dbraw/zinc/74/63/04/951746304.db2.gz CQLJCVLRRSEHKI-BLLLJJGKSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089406 951749137 /nfs/dbraw/zinc/74/91/37/951749137.db2.gz FLEHZNMODZRXIM-LRDDRELGSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101244 951855809 /nfs/dbraw/zinc/85/58/09/951855809.db2.gz BGJCAJYCHCHWEL-JSGCOSHPSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575101512 951859088 /nfs/dbraw/zinc/85/90/88/951859088.db2.gz GEOITPWCNZNAOT-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP O=C(C[NH+]1CCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571190018 952938673 /nfs/dbraw/zinc/93/86/73/952938673.db2.gz CJIJQQKCEUMWEA-SJLPKXTDSA-N 2 1 381.484 0.995 20 0 GCADMP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190082 952939722 /nfs/dbraw/zinc/93/97/22/952939722.db2.gz DWCMGVCVPJJMEK-WBAXXEDZSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190082 952939725 /nfs/dbraw/zinc/93/97/25/952939725.db2.gz DWCMGVCVPJJMEK-WBAXXEDZSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190082 952939727 /nfs/dbraw/zinc/93/97/27/952939727.db2.gz DWCMGVCVPJJMEK-WBAXXEDZSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190082 952939730 /nfs/dbraw/zinc/93/97/30/952939730.db2.gz DWCMGVCVPJJMEK-WBAXXEDZSA-N 2 1 381.484 0.994 20 0 GCADMP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571212984 953091523 /nfs/dbraw/zinc/09/15/23/953091523.db2.gz PFAHSFOGHSKGJK-IYBDPMFKSA-N 2 1 382.472 0.926 20 0 GCADMP CC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571212984 953091528 /nfs/dbraw/zinc/09/15/28/953091528.db2.gz PFAHSFOGHSKGJK-IYBDPMFKSA-N 2 1 382.472 0.926 20 0 GCADMP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217655 953110240 /nfs/dbraw/zinc/11/02/40/953110240.db2.gz GXTDNAMKTFWFOV-WMLDXEAASA-N 2 1 382.472 0.927 20 0 GCADMP O=C([C@H]1CCC[C@H]2CCC[N@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217655 953110241 /nfs/dbraw/zinc/11/02/41/953110241.db2.gz GXTDNAMKTFWFOV-WMLDXEAASA-N 2 1 382.472 0.927 20 0 GCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252707 953331771 /nfs/dbraw/zinc/33/17/71/953331771.db2.gz URFGFTGZKGCJRJ-LSDHHAIUSA-N 2 1 384.488 0.818 20 0 GCADMP CCN(CC)S(=O)(=O)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000530579215 530153685 /nfs/dbraw/zinc/15/36/85/530153685.db2.gz YUTVNZWWFFITAO-MRXNPFEDSA-N 2 1 376.567 0.533 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323553 530141619 /nfs/dbraw/zinc/14/16/19/530141619.db2.gz HKFRDNWIZPRUQF-ZDUSSCGKSA-N 2 1 388.921 0.664 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323553 530141622 /nfs/dbraw/zinc/14/16/22/530141622.db2.gz HKFRDNWIZPRUQF-ZDUSSCGKSA-N 2 1 388.921 0.664 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323553 530141624 /nfs/dbraw/zinc/14/16/24/530141624.db2.gz HKFRDNWIZPRUQF-ZDUSSCGKSA-N 2 1 388.921 0.664 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])S(C)(=O)=O ZINC000652355034 530460445 /nfs/dbraw/zinc/46/04/45/530460445.db2.gz NROOWURCOZEIRZ-CVEARBPZSA-N 2 1 376.567 0.612 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])S(C)(=O)=O ZINC000652355034 530460447 /nfs/dbraw/zinc/46/04/47/530460447.db2.gz NROOWURCOZEIRZ-CVEARBPZSA-N 2 1 376.567 0.612 20 0 GCADMP CC(C)(O)C[NH+]1CCC([NH2+]CCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000638639977 530475052 /nfs/dbraw/zinc/47/50/52/530475052.db2.gz XZAQUSWOXNYVSK-INIZCTEOSA-N 2 1 377.551 0.300 20 0 GCADMP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000419161671 530955328 /nfs/dbraw/zinc/95/53/28/530955328.db2.gz FAWAQNWKIKUGIM-GFCCVEGCSA-N 2 1 397.317 0.993 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)S(C)(=O)=O ZINC000422632956 531015192 /nfs/dbraw/zinc/01/51/92/531015192.db2.gz HKRIPHYLLUPHEF-PMPSAXMXSA-N 2 1 376.567 0.468 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)S(C)(=O)=O ZINC000422632956 531015195 /nfs/dbraw/zinc/01/51/95/531015195.db2.gz HKRIPHYLLUPHEF-PMPSAXMXSA-N 2 1 376.567 0.468 20 0 GCADMP CN(CCNC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000438363839 531153888 /nfs/dbraw/zinc/15/38/88/531153888.db2.gz MBRUIYHZXSVBOQ-GJZGRUSLSA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@H]1CCSC1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000438363839 531153891 /nfs/dbraw/zinc/15/38/91/531153891.db2.gz MBRUIYHZXSVBOQ-GJZGRUSLSA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@H]1CCSC1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000438363839 531153895 /nfs/dbraw/zinc/15/38/95/531153895.db2.gz MBRUIYHZXSVBOQ-GJZGRUSLSA-N 2 1 388.603 0.436 20 0 GCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000736568815 598521686 /nfs/dbraw/zinc/52/16/86/598521686.db2.gz NOKOLWIJMPRYFG-HNNXBMFYSA-N 2 1 388.524 0.112 20 0 GCADMP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822850781 599691222 /nfs/dbraw/zinc/69/12/22/599691222.db2.gz QESWFPSKAXVDPM-GOSISDBHSA-N 2 1 399.499 0.970 20 0 GCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000820145978 606165608 /nfs/dbraw/zinc/16/56/08/606165608.db2.gz HOOJDFVYRFHVEI-CQSZACIVSA-N 2 1 389.508 0.584 20 0 GCADMP C[C@H](C[NH2+]Cc1cn(C)nc1I)CN1CC[NH+](C)CC1 ZINC000894237980 638684758 /nfs/dbraw/zinc/68/47/58/638684758.db2.gz OLFGOBFBYMPUEW-GFCCVEGCSA-N 2 1 391.301 0.998 20 0 GCADMP C[C@H](C[NH2+]Cc1c(I)cnn1C)CN1CC[NH+](C)CC1 ZINC000894237275 638684970 /nfs/dbraw/zinc/68/49/70/638684970.db2.gz IJFMEWYBZYTEME-GFCCVEGCSA-N 2 1 391.301 0.998 20 0 GCADMP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362584 642368425 /nfs/dbraw/zinc/36/84/25/642368425.db2.gz KHZVJCRUTMFSRQ-HZPDHXFCSA-N 2 1 375.535 0.018 20 0 GCADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362584 642368427 /nfs/dbraw/zinc/36/84/27/642368427.db2.gz KHZVJCRUTMFSRQ-HZPDHXFCSA-N 2 1 375.535 0.018 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000662960283 1192171150 /nfs/dbraw/zinc/17/11/50/1192171150.db2.gz PPHJGOOJZPIGCL-MOPGFXCFSA-N 2 1 388.512 0.338 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000662965012 1192172023 /nfs/dbraw/zinc/17/20/23/1192172023.db2.gz BVLUKAIJIPSKLD-AQNXPRMDSA-N 2 1 384.524 0.972 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)CC1 ZINC000662982242 1192175978 /nfs/dbraw/zinc/17/59/78/1192175978.db2.gz CVHDWXSFZNCTTQ-MJGOQNOKSA-N 2 1 393.576 0.589 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652461345 1192228330 /nfs/dbraw/zinc/22/83/30/1192228330.db2.gz XZQIRBPSCOCUNI-KRWDZBQOSA-N 2 1 380.533 0.642 20 0 GCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000652468818 1192229269 /nfs/dbraw/zinc/22/92/69/1192229269.db2.gz SUHRHLFJKYHLRJ-UHFFFAOYSA-N 2 1 382.549 0.748 20 0 GCADMP O=C(CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662160084 1192248415 /nfs/dbraw/zinc/24/84/15/1192248415.db2.gz MHUSCJVIESRXAO-OAQYLSRUSA-N 2 1 386.540 0.862 20 0 GCADMP O=C(CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662160084 1192248417 /nfs/dbraw/zinc/24/84/17/1192248417.db2.gz MHUSCJVIESRXAO-OAQYLSRUSA-N 2 1 386.540 0.862 20 0 GCADMP COCCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000662315735 1192282994 /nfs/dbraw/zinc/28/29/94/1192282994.db2.gz SMGQBWMKUSYHRV-IXDOHACOSA-N 2 1 389.562 0.488 20 0 GCADMP COCCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000662315735 1192282998 /nfs/dbraw/zinc/28/29/98/1192282998.db2.gz SMGQBWMKUSYHRV-IXDOHACOSA-N 2 1 389.562 0.488 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@H](C)O1 ZINC000662336579 1192284823 /nfs/dbraw/zinc/28/48/23/1192284823.db2.gz ZYWSCEFMBABYOY-BBWFWOEESA-N 2 1 390.532 0.635 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@H](C)O1 ZINC000662336579 1192284826 /nfs/dbraw/zinc/28/48/26/1192284826.db2.gz ZYWSCEFMBABYOY-BBWFWOEESA-N 2 1 390.532 0.635 20 0 GCADMP C[NH+](C)CCOCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C2 ZINC001719838296 1192323364 /nfs/dbraw/zinc/32/33/64/1192323364.db2.gz SBYLKQOTBWFXDP-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678213 1192326258 /nfs/dbraw/zinc/32/62/58/1192326258.db2.gz CRKKGHMQNXKBJU-PBHICJAKSA-N 2 1 394.447 0.789 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514540 1192371675 /nfs/dbraw/zinc/37/16/75/1192371675.db2.gz ZQCHZTLCZUKJFF-IAGOWNOFSA-N 3 1 389.548 0.196 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514541 1192372003 /nfs/dbraw/zinc/37/20/03/1192372003.db2.gz ZQCHZTLCZUKJFF-IRXDYDNUSA-N 3 1 389.548 0.196 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643547098 1192385829 /nfs/dbraw/zinc/38/58/29/1192385829.db2.gz ZRTURPIBOYLZNN-RDJZCZTQSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643547098 1192385831 /nfs/dbraw/zinc/38/58/31/1192385831.db2.gz ZRTURPIBOYLZNN-RDJZCZTQSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643547097 1192386123 /nfs/dbraw/zinc/38/61/23/1192386123.db2.gz ZRTURPIBOYLZNN-NVXWUHKLSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643547097 1192386127 /nfs/dbraw/zinc/38/61/27/1192386127.db2.gz ZRTURPIBOYLZNN-NVXWUHKLSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@@]1(NC(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000663613008 1192417617 /nfs/dbraw/zinc/41/76/17/1192417617.db2.gz OACVAYNAFSZNJG-OAQYLSRUSA-N 2 1 399.495 0.780 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652672266 1192418074 /nfs/dbraw/zinc/41/80/74/1192418074.db2.gz DDIOOSADMVFQIH-OWSLCNJRSA-N 2 1 380.533 0.579 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000637220122 1192449798 /nfs/dbraw/zinc/44/97/98/1192449798.db2.gz HIOFAJUGWMPQSV-HSALFYBXSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637220122 1192449799 /nfs/dbraw/zinc/44/97/99/1192449799.db2.gz HIOFAJUGWMPQSV-HSALFYBXSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637220122 1192449800 /nfs/dbraw/zinc/44/98/00/1192449800.db2.gz HIOFAJUGWMPQSV-HSALFYBXSA-N 2 1 390.528 0.889 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663664461 1192466174 /nfs/dbraw/zinc/46/61/74/1192466174.db2.gz NZLBCSYYOZKOKV-GOSISDBHSA-N 2 1 395.548 0.218 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000663664461 1192466177 /nfs/dbraw/zinc/46/61/77/1192466177.db2.gz NZLBCSYYOZKOKV-GOSISDBHSA-N 2 1 395.548 0.218 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)cc2)CC1 ZINC000279108680 1192467572 /nfs/dbraw/zinc/46/75/72/1192467572.db2.gz YCBHYFMJYFMIND-QGZVFWFLSA-N 2 1 396.495 0.804 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279107708 1192467767 /nfs/dbraw/zinc/46/77/67/1192467767.db2.gz YARZYZPXAPTFHR-CVEARBPZSA-N 2 1 383.500 0.822 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C[C@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000433463785 1192486617 /nfs/dbraw/zinc/48/66/17/1192486617.db2.gz AMQWYBLDBJPWBP-SBHAEUEKSA-N 2 1 382.593 0.947 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652678153 1192487439 /nfs/dbraw/zinc/48/74/39/1192487439.db2.gz VURMKTDJIPQZNS-HCXYKTFWSA-N 2 1 394.560 0.968 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(=O)n(C)c(=O)n1C ZINC000663700751 1192500104 /nfs/dbraw/zinc/50/01/04/1192500104.db2.gz SCDXYJJDDIFSRT-UHFFFAOYSA-N 2 1 377.533 0.717 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000509735511 1192530998 /nfs/dbraw/zinc/53/09/98/1192530998.db2.gz GDMMVFVYGFKGQB-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735511 1192531004 /nfs/dbraw/zinc/53/10/04/1192531004.db2.gz GDMMVFVYGFKGQB-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000509735511 1192531009 /nfs/dbraw/zinc/53/10/09/1192531009.db2.gz GDMMVFVYGFKGQB-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606690 1192551837 /nfs/dbraw/zinc/55/18/37/1192551837.db2.gz CFGIITGLOZAFKS-CQSZACIVSA-N 2 1 395.470 0.575 20 0 GCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418606690 1192551840 /nfs/dbraw/zinc/55/18/40/1192551840.db2.gz CFGIITGLOZAFKS-CQSZACIVSA-N 2 1 395.470 0.575 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878444 1192563426 /nfs/dbraw/zinc/56/34/26/1192563426.db2.gz SJISUTZCRUVKMF-AWEZNQCLSA-N 3 1 394.520 0.862 20 0 GCADMP COC(OC)c1c(CN2CC[C@H](CO)C2)ccnc1NC(=[NH2+])NCCCC[NH3+] ZINC001167878444 1192563431 /nfs/dbraw/zinc/56/34/31/1192563431.db2.gz SJISUTZCRUVKMF-AWEZNQCLSA-N 2 1 394.520 0.862 20 0 GCADMP COC[C@]1(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646890 1192623544 /nfs/dbraw/zinc/62/35/44/1192623544.db2.gz XKPGNBJJHSBEPP-UXHICEINSA-N 2 1 376.501 0.691 20 0 GCADMP COC[C@@]1(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646891 1192623685 /nfs/dbraw/zinc/62/36/85/1192623685.db2.gz XKPGNBJJHSBEPP-VQTJNVASSA-N 2 1 376.501 0.691 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418660660 1192624740 /nfs/dbraw/zinc/62/47/40/1192624740.db2.gz YFDAXAJLGJMPSF-IBGZPJMESA-N 2 1 383.537 0.341 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418660660 1192624746 /nfs/dbraw/zinc/62/47/46/1192624746.db2.gz YFDAXAJLGJMPSF-IBGZPJMESA-N 2 1 383.537 0.341 20 0 GCADMP COC[C@]1(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCC[NH2+]1 ZINC000418659215 1192624761 /nfs/dbraw/zinc/62/47/61/1192624761.db2.gz VLKYISODXBBWOD-SFHLNBCPSA-N 2 1 390.528 0.937 20 0 GCADMP COC[C@]1(CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652716 1192625576 /nfs/dbraw/zinc/62/55/76/1192625576.db2.gz JEQZWNSCJXCNID-CMKODMSKSA-N 2 1 376.501 0.690 20 0 GCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000418671595 1192627849 /nfs/dbraw/zinc/62/78/49/1192627849.db2.gz LFWGWWVRUWYJCM-CTWPCTMYSA-N 2 1 381.565 0.595 20 0 GCADMP [NH3+]CCC[C@@H](NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000418674543 1192628363 /nfs/dbraw/zinc/62/83/63/1192628363.db2.gz OVDVEUHFIVMPMB-QGZVFWFLSA-N 2 1 395.529 0.095 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418822153 1192655892 /nfs/dbraw/zinc/65/58/92/1192655892.db2.gz AKJNYNDVDDFKIN-KRWDZBQOSA-N 2 1 380.533 0.596 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418824172 1192656323 /nfs/dbraw/zinc/65/63/23/1192656323.db2.gz CVYXPWXQCWPGFB-QGZVFWFLSA-N 2 1 380.533 0.644 20 0 GCADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822140 1192658052 /nfs/dbraw/zinc/65/80/52/1192658052.db2.gz AIOQHABCUWYECU-IAGOWNOFSA-N 2 1 380.533 0.771 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418834615 1192660568 /nfs/dbraw/zinc/66/05/68/1192660568.db2.gz OWQPKLMSJWTPCG-DLBZAZTESA-N 2 1 380.533 0.866 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418835463 1192661177 /nfs/dbraw/zinc/66/11/77/1192661177.db2.gz PPEBMYTXPZQCOE-IAGOWNOFSA-N 2 1 380.533 0.724 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000418852237 1192665747 /nfs/dbraw/zinc/66/57/47/1192665747.db2.gz QLZKATUFAMAFAU-QGZVFWFLSA-N 2 1 376.501 0.872 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C)CC[NH3+])CC2)cs1 ZINC000418853353 1192666984 /nfs/dbraw/zinc/66/69/84/1192666984.db2.gz JLNSSAOALVZMSP-CYBMUJFWSA-N 2 1 381.546 0.887 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+](C)C ZINC000418856752 1192668763 /nfs/dbraw/zinc/66/87/63/1192668763.db2.gz XNTMBKSBPCSWGF-WMLDXEAASA-N 2 1 376.501 1.000 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883609 1192679551 /nfs/dbraw/zinc/67/95/51/1192679551.db2.gz VGZZCEPLNQWPLB-SJLPKXTDSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCCO1 ZINC000418879608 1192678103 /nfs/dbraw/zinc/67/81/03/1192678103.db2.gz NIFRGLRJXRGYEG-SFHVURJKSA-N 2 1 390.528 0.981 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883290 1192678489 /nfs/dbraw/zinc/67/84/89/1192678489.db2.gz USGHOURRECCZDA-PMACEKPBSA-N 2 1 396.491 0.686 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H]1C[NH3+] ZINC000418878616 1192674858 /nfs/dbraw/zinc/67/48/58/1192674858.db2.gz LQSZAUYDXBPFJB-MNEFBYGVSA-N 2 1 388.512 0.455 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000418917051 1192688207 /nfs/dbraw/zinc/68/82/07/1192688207.db2.gz HUUOZWUIERCLNR-SFHVURJKSA-N 2 1 380.533 0.450 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942755 1192696898 /nfs/dbraw/zinc/69/68/98/1192696898.db2.gz AVENVOVWZQVJRG-ZFWWWQNUSA-N 2 1 378.473 0.200 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942755 1192696901 /nfs/dbraw/zinc/69/69/01/1192696901.db2.gz AVENVOVWZQVJRG-ZFWWWQNUSA-N 2 1 378.473 0.200 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000418948848 1192699350 /nfs/dbraw/zinc/69/93/50/1192699350.db2.gz OVUKFKYSXABQLV-HLLBOEOZSA-N 2 1 376.501 0.852 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958566 1192700604 /nfs/dbraw/zinc/70/06/04/1192700604.db2.gz GPNZSHZQGBRHAL-DZGCQCFKSA-N 2 1 378.473 0.105 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958566 1192700605 /nfs/dbraw/zinc/70/06/05/1192700605.db2.gz GPNZSHZQGBRHAL-DZGCQCFKSA-N 2 1 378.473 0.105 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956845 1192701763 /nfs/dbraw/zinc/70/17/63/1192701763.db2.gz CQNHZQKUPCCNCD-MAUKXSAKSA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956845 1192701768 /nfs/dbraw/zinc/70/17/68/1192701768.db2.gz CQNHZQKUPCCNCD-MAUKXSAKSA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc(OC)c1 ZINC000418957956 1192701850 /nfs/dbraw/zinc/70/18/50/1192701850.db2.gz FKTGIXBUMRTFCN-MRXNPFEDSA-N 2 1 390.484 0.216 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc(OC)c1 ZINC000418957956 1192701852 /nfs/dbraw/zinc/70/18/52/1192701852.db2.gz FKTGIXBUMRTFCN-MRXNPFEDSA-N 2 1 390.484 0.216 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956846 1192701922 /nfs/dbraw/zinc/70/19/22/1192701922.db2.gz CQNHZQKUPCCNCD-QAPCUYQASA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956846 1192701929 /nfs/dbraw/zinc/70/19/29/1192701929.db2.gz CQNHZQKUPCCNCD-QAPCUYQASA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966287 1192704284 /nfs/dbraw/zinc/70/42/84/1192704284.db2.gz QIFDQCOSMDVCCL-ZBFHGGJFSA-N 2 1 390.484 0.202 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966287 1192704287 /nfs/dbraw/zinc/70/42/87/1192704287.db2.gz QIFDQCOSMDVCCL-ZBFHGGJFSA-N 2 1 390.484 0.202 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966286 1192704500 /nfs/dbraw/zinc/70/45/00/1192704500.db2.gz QIFDQCOSMDVCCL-HOCLYGCPSA-N 2 1 390.484 0.202 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966286 1192704507 /nfs/dbraw/zinc/70/45/07/1192704507.db2.gz QIFDQCOSMDVCCL-HOCLYGCPSA-N 2 1 390.484 0.202 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000418973070 1192706228 /nfs/dbraw/zinc/70/62/28/1192706228.db2.gz ZSFGPNSTUSNKKJ-AWEZNQCLSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000418973070 1192706232 /nfs/dbraw/zinc/70/62/32/1192706232.db2.gz ZSFGPNSTUSNKKJ-AWEZNQCLSA-N 2 1 378.473 0.248 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652686938 1192714767 /nfs/dbraw/zinc/71/47/67/1192714767.db2.gz RKTXAWVEXRJQNA-WNRNVDISSA-N 2 1 380.533 0.722 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652686935 1192714842 /nfs/dbraw/zinc/71/48/42/1192714842.db2.gz RKTXAWVEXRJQNA-BSDSXHPESA-N 2 1 380.533 0.722 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])c1 ZINC000419013270 1192718744 /nfs/dbraw/zinc/71/87/44/1192718744.db2.gz ATKKKCLUNJVNTJ-QZTJIDSGSA-N 2 1 376.501 0.719 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419020418 1192721958 /nfs/dbraw/zinc/72/19/58/1192721958.db2.gz FSRXAIGBVHUXRO-INMHGKMJSA-N 2 1 391.520 0.137 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419021271 1192726210 /nfs/dbraw/zinc/72/62/10/1192726210.db2.gz GQLQTFBTHVXCDU-UKBAYJJMSA-N 2 1 394.560 0.968 20 0 GCADMP COCC1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000279924022 1192732330 /nfs/dbraw/zinc/73/23/30/1192732330.db2.gz OJXLMSCDXFTERY-UHFFFAOYSA-N 2 1 388.512 0.707 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034622 1192733687 /nfs/dbraw/zinc/73/36/87/1192733687.db2.gz FXBJCNJGNBVPNU-RBUKOAKNSA-N 2 1 383.496 0.318 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@@H](C)C1 ZINC000419044190 1192737977 /nfs/dbraw/zinc/73/79/77/1192737977.db2.gz SOJFLIADKWCUIQ-YVSFHVDLSA-N 2 1 398.548 0.469 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419044846 1192742152 /nfs/dbraw/zinc/74/21/52/1192742152.db2.gz MNKJGHDUANZYAU-OQIJWPOYSA-N 2 1 388.512 0.903 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419044844 1192742252 /nfs/dbraw/zinc/74/22/52/1192742252.db2.gz MNKJGHDUANZYAU-JCHJZTRSSA-N 2 1 388.512 0.903 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)nc(C)[nH+]1 ZINC000419045563 1192742299 /nfs/dbraw/zinc/74/22/99/1192742299.db2.gz WNLVQYDJHHVSBK-GOSISDBHSA-N 2 1 396.495 0.995 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)CC2)nc(C)[nH+]1 ZINC000419045584 1192742347 /nfs/dbraw/zinc/74/23/47/1192742347.db2.gz WOVQPRNEVCOKMY-CZUORRHYSA-N 2 1 388.516 0.622 20 0 GCADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419056660 1192750625 /nfs/dbraw/zinc/75/06/25/1192750625.db2.gz MGYSOBUWFJILLC-HZPDHXFCSA-N 2 1 398.454 0.350 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419056660 1192750628 /nfs/dbraw/zinc/75/06/28/1192750628.db2.gz MGYSOBUWFJILLC-HZPDHXFCSA-N 2 1 398.454 0.350 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410615584 1192758142 /nfs/dbraw/zinc/75/81/42/1192758142.db2.gz PZBRRGSZHUOMHE-GUDVDZBRSA-N 2 1 392.544 0.642 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419070420 1192766843 /nfs/dbraw/zinc/76/68/43/1192766843.db2.gz JZVJSEKLSDRLFJ-MDZRGWNJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419070420 1192766846 /nfs/dbraw/zinc/76/68/46/1192766846.db2.gz JZVJSEKLSDRLFJ-MDZRGWNJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CCO1 ZINC000419069904 1192767511 /nfs/dbraw/zinc/76/75/11/1192767511.db2.gz JLSJRBBMVJDVHE-LZQZEXGQSA-N 2 1 386.496 0.344 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CCO1 ZINC000419069904 1192767515 /nfs/dbraw/zinc/76/75/15/1192767515.db2.gz JLSJRBBMVJDVHE-LZQZEXGQSA-N 2 1 386.496 0.344 20 0 GCADMP CCC[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@@H+]1CCOC ZINC000500772220 1192775528 /nfs/dbraw/zinc/77/55/28/1192775528.db2.gz PMYZWOFHNHFOKL-SFHVURJKSA-N 2 1 397.564 0.681 20 0 GCADMP CCC[C@H]1CN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC[N@H+]1CCOC ZINC000500772220 1192775532 /nfs/dbraw/zinc/77/55/32/1192775532.db2.gz PMYZWOFHNHFOKL-SFHVURJKSA-N 2 1 397.564 0.681 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419079280 1192776126 /nfs/dbraw/zinc/77/61/26/1192776126.db2.gz UMKIYGMJNSZNBV-QFBILLFUSA-N 2 1 388.512 0.734 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419079280 1192776131 /nfs/dbraw/zinc/77/61/31/1192776131.db2.gz UMKIYGMJNSZNBV-QFBILLFUSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000419083063 1192778438 /nfs/dbraw/zinc/77/84/38/1192778438.db2.gz JXCHMUAMTIMYQC-IYBDPMFKSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000419083063 1192778441 /nfs/dbraw/zinc/77/84/41/1192778441.db2.gz JXCHMUAMTIMYQC-IYBDPMFKSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000419088278 1192779958 /nfs/dbraw/zinc/77/99/58/1192779958.db2.gz QTMNIAPCQINOFA-ZHCJQAHYSA-N 2 1 380.533 0.495 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000419088278 1192779963 /nfs/dbraw/zinc/77/99/63/1192779963.db2.gz QTMNIAPCQINOFA-ZHCJQAHYSA-N 2 1 380.533 0.495 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000419088277 1192780045 /nfs/dbraw/zinc/78/00/45/1192780045.db2.gz QTMNIAPCQINOFA-WRQOLXDDSA-N 2 1 380.533 0.495 20 0 GCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419095313 1192788084 /nfs/dbraw/zinc/78/80/84/1192788084.db2.gz KNVCFRWRLMMGGG-CABCVRRESA-N 2 1 384.402 0.874 20 0 GCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419095313 1192788086 /nfs/dbraw/zinc/78/80/86/1192788086.db2.gz KNVCFRWRLMMGGG-CABCVRRESA-N 2 1 384.402 0.874 20 0 GCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419095315 1192788421 /nfs/dbraw/zinc/78/84/21/1192788421.db2.gz KNVCFRWRLMMGGG-HUUCEWRRSA-N 2 1 384.402 0.874 20 0 GCADMP O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419095315 1192788422 /nfs/dbraw/zinc/78/84/22/1192788422.db2.gz KNVCFRWRLMMGGG-HUUCEWRRSA-N 2 1 384.402 0.874 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419120242 1192793522 /nfs/dbraw/zinc/79/35/22/1192793522.db2.gz PWSYZQMECCVTOD-CRAIPNDOSA-N 2 1 382.549 0.825 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419120192 1192793640 /nfs/dbraw/zinc/79/36/40/1192793640.db2.gz PVBRQJQIUXQVLT-MANSERQUSA-N 2 1 394.560 0.744 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCN(C)CC1 ZINC000419128209 1192797813 /nfs/dbraw/zinc/79/78/13/1192797813.db2.gz VOISWTBVNUCVOG-MOPGFXCFSA-N 2 1 393.576 0.365 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[NH+]1CCOCC1 ZINC000419118068 1192802427 /nfs/dbraw/zinc/80/24/27/1192802427.db2.gz NOLDMKWXYWWJJB-KURKYZTESA-N 2 1 380.533 0.308 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419118066 1192802442 /nfs/dbraw/zinc/80/24/42/1192802442.db2.gz NOLDMKWXYWWJJB-BZSNNMDCSA-N 2 1 380.533 0.308 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)[NH+]1CCN(C)CC1 ZINC000419129939 1192804830 /nfs/dbraw/zinc/80/48/30/1192804830.db2.gz YZTRBHSISTVFDW-SFHVURJKSA-N 2 1 393.576 0.367 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419137203 1192809075 /nfs/dbraw/zinc/80/90/75/1192809075.db2.gz QHDFNWADXBDSLL-GBESFXJTSA-N 2 1 388.512 0.732 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000669274546 1192812576 /nfs/dbraw/zinc/81/25/76/1192812576.db2.gz RGSPBSIXQHMYJX-BZSNNMDCSA-N 2 1 380.533 0.471 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419155678 1192816053 /nfs/dbraw/zinc/81/60/53/1192816053.db2.gz UFNXGCXUKBPQMQ-XUWXXGDYSA-N 2 1 392.450 0.879 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419163553 1192820861 /nfs/dbraw/zinc/82/08/61/1192820861.db2.gz LOYOQKAMEKYVFG-RBUKOAKNSA-N 2 1 390.528 0.754 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419166095 1192822228 /nfs/dbraw/zinc/82/22/28/1192822228.db2.gz OHUVUJNAZJZLEN-GOSISDBHSA-N 2 1 376.501 0.462 20 0 GCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168045 1192823442 /nfs/dbraw/zinc/82/34/42/1192823442.db2.gz ROMUSGQSJPSVRE-IBGZPJMESA-N 2 1 386.496 0.430 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000419153767 1192823547 /nfs/dbraw/zinc/82/35/47/1192823547.db2.gz QHUBVASZYXBLMO-MNEFBYGVSA-N 2 1 386.496 0.610 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419169672 1192824871 /nfs/dbraw/zinc/82/48/71/1192824871.db2.gz VALZIDQFFPTVHT-ZWKOTPCHSA-N 2 1 376.501 0.493 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419156032 1192824897 /nfs/dbraw/zinc/82/48/97/1192824897.db2.gz BRGPQQCOOFVHKN-RTBURBONSA-N 2 1 390.528 0.835 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168825 1192830460 /nfs/dbraw/zinc/83/04/60/1192830460.db2.gz TUOMQLXVEAAEHJ-NZSAHSFTSA-N 2 1 388.512 0.589 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1(C)C ZINC000419191229 1192831083 /nfs/dbraw/zinc/83/10/83/1192831083.db2.gz WEPXAESEOMRYPW-ZWKOTPCHSA-N 2 1 387.528 0.082 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419196003 1192832600 /nfs/dbraw/zinc/83/26/00/1192832600.db2.gz AEFWIUKVPMTHDX-APWZRJJASA-N 2 1 388.512 0.782 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000419194787 1192833063 /nfs/dbraw/zinc/83/30/63/1192833063.db2.gz UEBJMAJARUQCEF-QFBILLFUSA-N 2 1 388.512 0.782 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000419180804 1192834720 /nfs/dbraw/zinc/83/47/20/1192834720.db2.gz APNVHSRCWCOUFY-RBUKOAKNSA-N 2 1 387.528 0.082 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000419197165 1192836997 /nfs/dbraw/zinc/83/69/97/1192836997.db2.gz XSOJDGXLBFSLAH-LPHOPBHVSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410698007 1192837060 /nfs/dbraw/zinc/83/70/60/1192837060.db2.gz MKDOZWJRYQYXIY-YQVWRLOYSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410698007 1192837064 /nfs/dbraw/zinc/83/70/64/1192837064.db2.gz MKDOZWJRYQYXIY-YQVWRLOYSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[N@@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410698007 1192837068 /nfs/dbraw/zinc/83/70/68/1192837068.db2.gz MKDOZWJRYQYXIY-YQVWRLOYSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[N@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410698007 1192837073 /nfs/dbraw/zinc/83/70/73/1192837073.db2.gz MKDOZWJRYQYXIY-YQVWRLOYSA-N 2 1 392.544 0.783 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@@H]3C(C)C)CC2)c1 ZINC000410698335 1192837724 /nfs/dbraw/zinc/83/77/24/1192837724.db2.gz NIXSEHLQUABISE-QGZVFWFLSA-N 2 1 389.500 0.537 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@@H]3C(C)C)CC2)c1 ZINC000410698335 1192837728 /nfs/dbraw/zinc/83/77/28/1192837728.db2.gz NIXSEHLQUABISE-QGZVFWFLSA-N 2 1 389.500 0.537 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419198845 1192838948 /nfs/dbraw/zinc/83/89/48/1192838948.db2.gz CXXMLZLLEVZSCQ-APWZRJJASA-N 2 1 388.512 0.863 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419198851 1192838976 /nfs/dbraw/zinc/83/89/76/1192838976.db2.gz CXXMLZLLEVZSCQ-QFBILLFUSA-N 2 1 388.512 0.863 20 0 GCADMP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740868 1192847176 /nfs/dbraw/zinc/84/71/76/1192847176.db2.gz MHPIDIATJWGCES-MOPGFXCFSA-N 2 1 381.565 0.643 20 0 GCADMP CC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000531684039 1192856472 /nfs/dbraw/zinc/85/64/72/1192856472.db2.gz WFFPFIYLXYAWBR-ROUUACIJSA-N 2 1 395.573 0.853 20 0 GCADMP CC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000531684039 1192856479 /nfs/dbraw/zinc/85/64/79/1192856479.db2.gz WFFPFIYLXYAWBR-ROUUACIJSA-N 2 1 395.573 0.853 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419209349 1192888722 /nfs/dbraw/zinc/88/87/22/1192888722.db2.gz PEDCIJPYQYVQGX-IPMKNSEASA-N 2 1 388.512 0.732 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410766479 1192901211 /nfs/dbraw/zinc/90/12/11/1192901211.db2.gz KBSKYPJNIFGKNV-SFHVURJKSA-N 2 1 382.549 0.748 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)c3cccc(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)c3N)C[C@H]2C1 ZINC000614125223 1192911183 /nfs/dbraw/zinc/91/11/83/1192911183.db2.gz UHAOKANOUDJEKQ-WNKDZCFJSA-N 2 1 397.523 0.536 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419220695 1192920613 /nfs/dbraw/zinc/92/06/13/1192920613.db2.gz VIYDDWXGKDFLDV-ZACQAIPSSA-N 2 1 390.528 0.884 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419220694 1192920751 /nfs/dbraw/zinc/92/07/51/1192920751.db2.gz VIYDDWXGKDFLDV-YESZJQIVSA-N 2 1 390.528 0.884 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419220202 1192920993 /nfs/dbraw/zinc/92/09/93/1192920993.db2.gz UWUKBAGPTSSGEI-IYBDPMFKSA-N 2 1 376.501 0.638 20 0 GCADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000410993229 1192924718 /nfs/dbraw/zinc/92/47/18/1192924718.db2.gz YMPKUNCFEQDUAT-HKUYNNGSSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694025 1184092873 /nfs/dbraw/zinc/09/28/73/1184092873.db2.gz VEIFMNPWKWLATK-LSTHTHJFSA-N 2 1 399.539 0.954 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694025 1184092879 /nfs/dbraw/zinc/09/28/79/1184092879.db2.gz VEIFMNPWKWLATK-LSTHTHJFSA-N 2 1 399.539 0.954 20 0 GCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654727294 1184105164 /nfs/dbraw/zinc/10/51/64/1184105164.db2.gz JKYCODDMABSXNV-ROUUACIJSA-N 2 1 377.533 0.953 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000654730176 1184109487 /nfs/dbraw/zinc/10/94/87/1184109487.db2.gz MNONUMVAQYVSNR-OKZBNKHCSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654730176 1184109493 /nfs/dbraw/zinc/10/94/93/1184109493.db2.gz MNONUMVAQYVSNR-OKZBNKHCSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654730176 1184109501 /nfs/dbraw/zinc/10/95/01/1184109501.db2.gz MNONUMVAQYVSNR-OKZBNKHCSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594087 1184112752 /nfs/dbraw/zinc/11/27/52/1184112752.db2.gz KSBCLHOCWJGDBL-WBVHZDCISA-N 2 1 382.530 0.406 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594087 1184112757 /nfs/dbraw/zinc/11/27/57/1184112757.db2.gz KSBCLHOCWJGDBL-WBVHZDCISA-N 2 1 382.530 0.406 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(C)C[C@H]1c1ccccc1 ZINC000274680767 1184182936 /nfs/dbraw/zinc/18/29/36/1184182936.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000274680767 1184182938 /nfs/dbraw/zinc/18/29/38/1184182938.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000274680767 1184182941 /nfs/dbraw/zinc/18/29/41/1184182941.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000274680767 1184182949 /nfs/dbraw/zinc/18/29/49/1184182949.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000274680767 1184182951 /nfs/dbraw/zinc/18/29/51/1184182951.db2.gz RHCDMVHVCWBFEG-FQEVSTJZSA-N 2 1 391.560 0.979 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000274697953 1184194566 /nfs/dbraw/zinc/19/45/66/1184194566.db2.gz XBRKJQUYIVCCPN-UHFFFAOYSA-N 2 1 377.533 0.812 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000669287964 1184339980 /nfs/dbraw/zinc/33/99/80/1184339980.db2.gz BJCOCGFCQJWFAY-KRWDZBQOSA-N 2 1 382.549 0.981 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000471181805 1184364161 /nfs/dbraw/zinc/36/41/61/1184364161.db2.gz HXRIANAFEMSLBC-INIZCTEOSA-N 2 1 383.537 0.027 20 0 GCADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CC(C)(C)O ZINC000547728476 1184423889 /nfs/dbraw/zinc/42/38/89/1184423889.db2.gz MVUUPZFOWPIASM-UTKZUKDTSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728476 1184423895 /nfs/dbraw/zinc/42/38/95/1184423895.db2.gz MVUUPZFOWPIASM-UTKZUKDTSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728476 1184423903 /nfs/dbraw/zinc/42/39/03/1184423903.db2.gz MVUUPZFOWPIASM-UTKZUKDTSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CC(C)(C)O ZINC000547728474 1184424050 /nfs/dbraw/zinc/42/40/50/1184424050.db2.gz MVUUPZFOWPIASM-DYESRHJHSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728474 1184424055 /nfs/dbraw/zinc/42/40/55/1184424055.db2.gz MVUUPZFOWPIASM-DYESRHJHSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728474 1184424059 /nfs/dbraw/zinc/42/40/59/1184424059.db2.gz MVUUPZFOWPIASM-DYESRHJHSA-N 2 1 375.513 0.927 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468261 1184466905 /nfs/dbraw/zinc/46/69/05/1184466905.db2.gz YEINGYASEBAWMT-WIYYLYMNSA-N 2 1 392.544 0.453 20 0 GCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000471225301 1184472827 /nfs/dbraw/zinc/47/28/27/1184472827.db2.gz ADQFWTADKONTPT-UHFFFAOYSA-N 2 1 377.489 0.925 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)[C@H]2C1 ZINC000579883225 1184499629 /nfs/dbraw/zinc/49/96/29/1184499629.db2.gz VLEUNFVAOGXBBX-YSHGAJCASA-N 2 1 392.544 0.423 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)[C@@H]2C1 ZINC000579883222 1184499709 /nfs/dbraw/zinc/49/97/09/1184499709.db2.gz VLEUNFVAOGXBBX-NXWXRZEISA-N 2 1 392.544 0.423 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)cn2)CC1 ZINC000275142243 1184531674 /nfs/dbraw/zinc/53/16/74/1184531674.db2.gz OTRODQSXRMAHLA-CQSZACIVSA-N 2 1 386.422 0.729 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@H](C(=O)NCC(F)(F)F)C3)cn2)CC1 ZINC000275142243 1184531681 /nfs/dbraw/zinc/53/16/81/1184531681.db2.gz OTRODQSXRMAHLA-CQSZACIVSA-N 2 1 386.422 0.729 20 0 GCADMP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+](C2CC2)C1 ZINC000655557010 1184574375 /nfs/dbraw/zinc/57/43/75/1184574375.db2.gz ATLWMNBHXWWJNO-QZTJIDSGSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557010 1184574379 /nfs/dbraw/zinc/57/43/79/1184574379.db2.gz ATLWMNBHXWWJNO-QZTJIDSGSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557010 1184574385 /nfs/dbraw/zinc/57/43/85/1184574385.db2.gz ATLWMNBHXWWJNO-QZTJIDSGSA-N 2 1 379.549 0.519 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250406 1184576694 /nfs/dbraw/zinc/57/66/94/1184576694.db2.gz DHGMNYAAYHTDNL-HXUWFJFHSA-N 3 1 377.577 0.830 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250406 1184576699 /nfs/dbraw/zinc/57/66/99/1184576699.db2.gz DHGMNYAAYHTDNL-HXUWFJFHSA-N 3 1 377.577 0.830 20 0 GCADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001707870226 1184636439 /nfs/dbraw/zinc/63/64/39/1184636439.db2.gz CHXAEHXNFHNFLS-UHOSZYNNSA-N 2 1 392.548 0.590 20 0 GCADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001707870226 1184636445 /nfs/dbraw/zinc/63/64/45/1184636445.db2.gz CHXAEHXNFHNFLS-UHOSZYNNSA-N 2 1 392.548 0.590 20 0 GCADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252083 1184667965 /nfs/dbraw/zinc/66/79/65/1184667965.db2.gz SGHLGTGHGTVQJL-WBVHZDCISA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@H](O)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252083 1184667971 /nfs/dbraw/zinc/66/79/71/1184667971.db2.gz SGHLGTGHGTVQJL-WBVHZDCISA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@H](O)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252083 1184667975 /nfs/dbraw/zinc/66/79/75/1184667975.db2.gz SGHLGTGHGTVQJL-WBVHZDCISA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252083 1184667980 /nfs/dbraw/zinc/66/79/80/1184667980.db2.gz SGHLGTGHGTVQJL-WBVHZDCISA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252083 1184667985 /nfs/dbraw/zinc/66/79/85/1184667985.db2.gz SGHLGTGHGTVQJL-WBVHZDCISA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252083 1184667987 /nfs/dbraw/zinc/66/79/87/1184667987.db2.gz SGHLGTGHGTVQJL-WBVHZDCISA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252083 1184667991 /nfs/dbraw/zinc/66/79/91/1184667991.db2.gz SGHLGTGHGTVQJL-WBVHZDCISA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[NH2+]CC3)c2)CC1 ZINC000579931818 1184738122 /nfs/dbraw/zinc/73/81/22/1184738122.db2.gz INODHBGWEAEZLX-UHFFFAOYSA-N 2 1 381.502 0.450 20 0 GCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CC[NH2+]CC3)c2)CC1 ZINC000579931818 1184738126 /nfs/dbraw/zinc/73/81/26/1184738126.db2.gz INODHBGWEAEZLX-UHFFFAOYSA-N 2 1 381.502 0.450 20 0 GCADMP CN(CC(C)(C)C[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000890883005 1184741835 /nfs/dbraw/zinc/74/18/35/1184741835.db2.gz FYFMVXFYUKUSKL-KRWDZBQOSA-N 2 1 382.549 0.746 20 0 GCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729129 1184756158 /nfs/dbraw/zinc/75/61/58/1184756158.db2.gz NYLPMZZNDWLBIV-MSOLQXFVSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729129 1184756164 /nfs/dbraw/zinc/75/61/64/1184756164.db2.gz NYLPMZZNDWLBIV-MSOLQXFVSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642729110 1184756555 /nfs/dbraw/zinc/75/65/55/1184756555.db2.gz JVGBCDUZWTVKIZ-ZWKOTPCHSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642729110 1184756560 /nfs/dbraw/zinc/75/65/60/1184756560.db2.gz JVGBCDUZWTVKIZ-ZWKOTPCHSA-N 2 1 390.553 0.979 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729092 1184757255 /nfs/dbraw/zinc/75/72/55/1184757255.db2.gz FLHQAHYWIGJBJP-QXAKKESOSA-N 2 1 387.528 0.115 20 0 GCADMP CN(C)S(=O)(=O)C1(CNC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000891051665 1184873557 /nfs/dbraw/zinc/87/35/57/1184873557.db2.gz KHUDXXRJVYXKKI-UHFFFAOYSA-N 2 1 389.566 0.078 20 0 GCADMP CN(C)S(=O)(=O)C1(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000891051665 1184873562 /nfs/dbraw/zinc/87/35/62/1184873562.db2.gz KHUDXXRJVYXKKI-UHFFFAOYSA-N 2 1 389.566 0.078 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000642754571 1184908088 /nfs/dbraw/zinc/90/80/88/1184908088.db2.gz SYOBNMYCWODOPH-HBFSDRIKSA-N 2 1 399.539 0.524 20 0 GCADMP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656029238 1184965622 /nfs/dbraw/zinc/96/56/22/1184965622.db2.gz XEPPJEKVWQZLOK-YRXWBPOGSA-N 2 1 392.544 0.864 20 0 GCADMP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000656029236 1184965657 /nfs/dbraw/zinc/96/56/57/1184965657.db2.gz XEPPJEKVWQZLOK-MKXGPGLRSA-N 2 1 392.544 0.864 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000580225631 1185123019 /nfs/dbraw/zinc/12/30/19/1185123019.db2.gz WCXCPWSJJLHWEG-LJQANCHMSA-N 2 1 387.528 0.931 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000580225631 1185123024 /nfs/dbraw/zinc/12/30/24/1185123024.db2.gz WCXCPWSJJLHWEG-LJQANCHMSA-N 2 1 387.528 0.931 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NCC[N@H+]2CCc3ccccc3C2)C1 ZINC000580225631 1185123028 /nfs/dbraw/zinc/12/30/28/1185123028.db2.gz WCXCPWSJJLHWEG-LJQANCHMSA-N 2 1 387.528 0.931 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000580302524 1185144496 /nfs/dbraw/zinc/14/44/96/1185144496.db2.gz YXIAEPIBVIHASE-KSZLIROESA-N 2 1 392.544 0.546 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000580431771 1185229609 /nfs/dbraw/zinc/22/96/09/1185229609.db2.gz BWUHZRSFODLLGI-WKULXVSPSA-N 2 1 378.517 0.155 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000580431771 1185229611 /nfs/dbraw/zinc/22/96/11/1185229611.db2.gz BWUHZRSFODLLGI-WKULXVSPSA-N 2 1 378.517 0.155 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580498890 1185253761 /nfs/dbraw/zinc/25/37/61/1185253761.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580498890 1185253765 /nfs/dbraw/zinc/25/37/65/1185253765.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580498890 1185253770 /nfs/dbraw/zinc/25/37/70/1185253770.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000580498890 1185253775 /nfs/dbraw/zinc/25/37/75/1185253775.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580498890 1185253779 /nfs/dbraw/zinc/25/37/79/1185253779.db2.gz FWEJTTCTSDHEDW-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000580634329 1185293405 /nfs/dbraw/zinc/29/34/05/1185293405.db2.gz LOLXZHUTPCHFOE-KZNAEPCWSA-N 2 1 392.544 0.545 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000557415181 1185304489 /nfs/dbraw/zinc/30/44/89/1185304489.db2.gz RTOJIMZBXIMDIZ-KRWDZBQOSA-N 2 1 395.548 0.036 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000557415181 1185304492 /nfs/dbraw/zinc/30/44/92/1185304492.db2.gz RTOJIMZBXIMDIZ-KRWDZBQOSA-N 2 1 395.548 0.036 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000557415181 1185304501 /nfs/dbraw/zinc/30/45/01/1185304501.db2.gz RTOJIMZBXIMDIZ-KRWDZBQOSA-N 2 1 395.548 0.036 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943579 1185328939 /nfs/dbraw/zinc/32/89/39/1185328939.db2.gz DNWAEMCDTANCGJ-RHSMWYFYSA-N 2 1 389.500 0.924 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943579 1185328948 /nfs/dbraw/zinc/32/89/48/1185328948.db2.gz DNWAEMCDTANCGJ-RHSMWYFYSA-N 2 1 389.500 0.924 20 0 GCADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943590 1185329039 /nfs/dbraw/zinc/32/90/39/1185329039.db2.gz DNWAEMCDTANCGJ-YOEHRIQHSA-N 2 1 389.500 0.924 20 0 GCADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943590 1185329047 /nfs/dbraw/zinc/32/90/47/1185329047.db2.gz DNWAEMCDTANCGJ-YOEHRIQHSA-N 2 1 389.500 0.924 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[NH+](C)CC1 ZINC000656288357 1185335298 /nfs/dbraw/zinc/33/52/98/1185335298.db2.gz AYHQHYLJZHJBDR-FHWLQOOXSA-N 2 1 393.576 0.508 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000580762044 1185348031 /nfs/dbraw/zinc/34/80/31/1185348031.db2.gz DUQSMUJGIFEDLI-MRXNPFEDSA-N 2 1 395.529 0.838 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000580762044 1185348037 /nfs/dbraw/zinc/34/80/37/1185348037.db2.gz DUQSMUJGIFEDLI-MRXNPFEDSA-N 2 1 395.529 0.838 20 0 GCADMP CN1CC[NH+](Cc2ccc(CNC(=O)c3cn(CCCC[NH3+])nn3)cc2)CC1 ZINC000580771961 1185350068 /nfs/dbraw/zinc/35/00/68/1185350068.db2.gz QYRVIGJKGSRENH-UHFFFAOYSA-N 2 1 385.516 0.694 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000580830964 1185390582 /nfs/dbraw/zinc/39/05/82/1185390582.db2.gz WMNHGTRPMIQIAQ-DOTOQJQBSA-N 2 1 387.484 0.191 20 0 GCADMP Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001707885945 1185402408 /nfs/dbraw/zinc/40/24/08/1185402408.db2.gz CJVRRHLXVBQMAH-ICSRJNTNSA-N 2 1 391.564 0.258 20 0 GCADMP CC(=O)N[C@H]1CCCN(C(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000069016955 1185409594 /nfs/dbraw/zinc/40/95/94/1185409594.db2.gz UCUFGJCIKLUSQS-QKLQHJQFSA-N 2 1 394.560 0.935 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354294 1185446869 /nfs/dbraw/zinc/44/68/69/1185446869.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354294 1185446874 /nfs/dbraw/zinc/44/68/74/1185446874.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354294 1185446880 /nfs/dbraw/zinc/44/68/80/1185446880.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354294 1185446887 /nfs/dbraw/zinc/44/68/87/1185446887.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354294 1185446894 /nfs/dbraw/zinc/44/68/94/1185446894.db2.gz BTEKDEJUTBZVJX-OALUTQOASA-N 2 1 393.576 0.604 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354296 1185448239 /nfs/dbraw/zinc/44/82/39/1185448239.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354296 1185448244 /nfs/dbraw/zinc/44/82/44/1185448244.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656354296 1185448250 /nfs/dbraw/zinc/44/82/50/1185448250.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656354296 1185448253 /nfs/dbraw/zinc/44/82/53/1185448253.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354296 1185448258 /nfs/dbraw/zinc/44/82/58/1185448258.db2.gz BTEKDEJUTBZVJX-RTBURBONSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656357285 1185453076 /nfs/dbraw/zinc/45/30/76/1185453076.db2.gz YPJBSKQOSITGKY-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656357285 1185453082 /nfs/dbraw/zinc/45/30/82/1185453082.db2.gz YPJBSKQOSITGKY-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1CC(C)(C)O ZINC000656355729 1185454508 /nfs/dbraw/zinc/45/45/08/1185454508.db2.gz NLAXBGAVWUCLSV-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1CC(C)(C)O ZINC000656355729 1185454515 /nfs/dbraw/zinc/45/45/15/1185454515.db2.gz NLAXBGAVWUCLSV-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000656355729 1185454519 /nfs/dbraw/zinc/45/45/19/1185454519.db2.gz NLAXBGAVWUCLSV-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000656355729 1185454526 /nfs/dbraw/zinc/45/45/26/1185454526.db2.gz NLAXBGAVWUCLSV-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356456 1185457905 /nfs/dbraw/zinc/45/79/05/1185457905.db2.gz DMTIKFPNOMEVQD-NEWSRXKRSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356456 1185457908 /nfs/dbraw/zinc/45/79/08/1185457908.db2.gz DMTIKFPNOMEVQD-NEWSRXKRSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356456 1185457909 /nfs/dbraw/zinc/45/79/09/1185457909.db2.gz DMTIKFPNOMEVQD-NEWSRXKRSA-N 2 1 392.544 0.831 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656358553 1185459868 /nfs/dbraw/zinc/45/98/68/1185459868.db2.gz RXQDXCRNBZHTOO-SJORKVTESA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656358553 1185459875 /nfs/dbraw/zinc/45/98/75/1185459875.db2.gz RXQDXCRNBZHTOO-SJORKVTESA-N 2 1 380.533 0.689 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000581063703 1185481194 /nfs/dbraw/zinc/48/11/94/1185481194.db2.gz NOSPJXDIOSKPAD-RHSMWYFYSA-N 2 1 380.533 0.591 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC[C@@H]21 ZINC000581078042 1185487925 /nfs/dbraw/zinc/48/79/25/1185487925.db2.gz RIFQUKZIAUYOMF-QXCFHYIPSA-N 2 1 392.544 0.423 20 0 GCADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000581090752 1185493588 /nfs/dbraw/zinc/49/35/88/1185493588.db2.gz USCRDVDRMPRGAG-HZPDHXFCSA-N 2 1 376.505 1.062 20 0 GCADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000581090752 1185493593 /nfs/dbraw/zinc/49/35/93/1185493593.db2.gz USCRDVDRMPRGAG-HZPDHXFCSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000581090752 1185493598 /nfs/dbraw/zinc/49/35/98/1185493598.db2.gz USCRDVDRMPRGAG-HZPDHXFCSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000581090752 1185493603 /nfs/dbraw/zinc/49/36/03/1185493603.db2.gz USCRDVDRMPRGAG-HZPDHXFCSA-N 2 1 376.505 1.062 20 0 GCADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000581090750 1185493855 /nfs/dbraw/zinc/49/38/55/1185493855.db2.gz USCRDVDRMPRGAG-HOTGVXAUSA-N 2 1 376.505 1.062 20 0 GCADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000581090750 1185493857 /nfs/dbraw/zinc/49/38/57/1185493857.db2.gz USCRDVDRMPRGAG-HOTGVXAUSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000581090750 1185493860 /nfs/dbraw/zinc/49/38/60/1185493860.db2.gz USCRDVDRMPRGAG-HOTGVXAUSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000581090750 1185493864 /nfs/dbraw/zinc/49/38/64/1185493864.db2.gz USCRDVDRMPRGAG-HOTGVXAUSA-N 2 1 376.505 1.062 20 0 GCADMP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000558135854 1185518534 /nfs/dbraw/zinc/51/85/34/1185518534.db2.gz DQOSNHLCPIYWQU-LJQANCHMSA-N 2 1 394.560 0.940 20 0 GCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581254590 1185557240 /nfs/dbraw/zinc/55/72/40/1185557240.db2.gz NZYROMSZTWKXQH-GVDBMIGSSA-N 2 1 379.549 0.105 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000581299917 1185573884 /nfs/dbraw/zinc/57/38/84/1185573884.db2.gz QUVXVNSTIUJASE-SJORKVTESA-N 2 1 376.505 0.270 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299704 1185574562 /nfs/dbraw/zinc/57/45/62/1185574562.db2.gz XVZIWTUFZJSVDS-ROUUACIJSA-N 2 1 395.548 0.197 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000581361967 1185614703 /nfs/dbraw/zinc/61/47/03/1185614703.db2.gz FENGVYQYNAHPGZ-IBGZPJMESA-N 2 1 396.576 0.918 20 0 GCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000581361967 1185614707 /nfs/dbraw/zinc/61/47/07/1185614707.db2.gz FENGVYQYNAHPGZ-IBGZPJMESA-N 2 1 396.576 0.918 20 0 GCADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000581361967 1185614708 /nfs/dbraw/zinc/61/47/08/1185614708.db2.gz FENGVYQYNAHPGZ-IBGZPJMESA-N 2 1 396.576 0.918 20 0 GCADMP COc1nccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346498 1185620145 /nfs/dbraw/zinc/62/01/45/1185620145.db2.gz DOJMTXWBGSEKDS-YFHUEUNASA-N 2 1 391.516 0.779 20 0 GCADMP COc1nccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346498 1185620150 /nfs/dbraw/zinc/62/01/50/1185620150.db2.gz DOJMTXWBGSEKDS-YFHUEUNASA-N 2 1 391.516 0.779 20 0 GCADMP COc1cccc(NC(=O)CN(C)C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430577138 1185632403 /nfs/dbraw/zinc/63/24/03/1185632403.db2.gz CCVSGCPLWJCSBF-UHFFFAOYSA-N 2 1 392.500 0.922 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000430597462 1185674947 /nfs/dbraw/zinc/67/49/47/1185674947.db2.gz AIHHLIAVIQHYFB-LJQANCHMSA-N 2 1 399.539 0.309 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000581423498 1185685390 /nfs/dbraw/zinc/68/53/90/1185685390.db2.gz UOURRKSMUGBDMJ-AVEIZBFRSA-N 2 1 380.533 0.530 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000581423498 1185685395 /nfs/dbraw/zinc/68/53/95/1185685395.db2.gz UOURRKSMUGBDMJ-AVEIZBFRSA-N 2 1 380.533 0.530 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000581429232 1185687685 /nfs/dbraw/zinc/68/76/85/1185687685.db2.gz CWKSZUYFBKHOID-ROUUACIJSA-N 2 1 389.544 0.553 20 0 GCADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436863 1185689552 /nfs/dbraw/zinc/68/95/52/1185689552.db2.gz FICIHDDSYNJSDR-HOTGVXAUSA-N 2 1 383.514 0.898 20 0 GCADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436863 1185689554 /nfs/dbraw/zinc/68/95/54/1185689554.db2.gz FICIHDDSYNJSDR-HOTGVXAUSA-N 2 1 383.514 0.898 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414156 1185723087 /nfs/dbraw/zinc/72/30/87/1185723087.db2.gz GHCKHBXTUWASLW-JJTUDDRGSA-N 2 1 379.505 0.683 20 0 GCADMP Cc1csc2nc(C[N@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n12 ZINC000430608443 1185741103 /nfs/dbraw/zinc/74/11/03/1185741103.db2.gz FJNYOEXTZAOHRK-CQSZACIVSA-N 2 1 375.498 0.708 20 0 GCADMP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609591 1185751906 /nfs/dbraw/zinc/75/19/06/1185751906.db2.gz HQJLIQNYECLHTO-CHWSQXEVSA-N 2 1 379.436 0.649 20 0 GCADMP C[NH+](C)CCc1ccc(CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000276350623 1185755580 /nfs/dbraw/zinc/75/55/80/1185755580.db2.gz HJPBWNUXGZEZPP-UHFFFAOYSA-N 2 1 375.517 0.754 20 0 GCADMP CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430610406 1185756635 /nfs/dbraw/zinc/75/66/35/1185756635.db2.gz KRYGVRBVDQLKNU-OAHLLOKOSA-N 2 1 383.514 0.646 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611934 1185758333 /nfs/dbraw/zinc/75/83/33/1185758333.db2.gz QDFVJIOMOQEZON-JKSUJKDBSA-N 2 1 376.505 0.935 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611934 1185758342 /nfs/dbraw/zinc/75/83/42/1185758342.db2.gz QDFVJIOMOQEZON-JKSUJKDBSA-N 2 1 376.505 0.935 20 0 GCADMP CC1CC[NH+](CC(=O)N2C[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC001022017183 1185770486 /nfs/dbraw/zinc/77/04/86/1185770486.db2.gz CSYFFWNUGVRFKV-FCGDIQPGSA-N 2 1 392.544 0.497 20 0 GCADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)CC2)c1 ZINC000430614345 1185774041 /nfs/dbraw/zinc/77/40/41/1185774041.db2.gz YHVJCNHTASCWOQ-GOSISDBHSA-N 2 1 387.528 0.431 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430614292 1185775485 /nfs/dbraw/zinc/77/54/85/1185775485.db2.gz XWKASTGSCDAPDL-WMZOPIPTSA-N 2 1 392.475 0.513 20 0 GCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614092 1185775768 /nfs/dbraw/zinc/77/57/68/1185775768.db2.gz YCSWVXGXUWDFLD-GJZGRUSLSA-N 2 1 388.468 0.886 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000581597871 1185780457 /nfs/dbraw/zinc/78/04/57/1185780457.db2.gz IEVJWFOLXDHOGG-NZSAHSFTSA-N 2 1 387.528 0.115 20 0 GCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615228 1185782780 /nfs/dbraw/zinc/78/27/80/1185782780.db2.gz BGVZIMCTUMPHDY-CABCVRRESA-N 2 1 392.500 0.668 20 0 GCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615234 1185783206 /nfs/dbraw/zinc/78/32/06/1185783206.db2.gz BGVZIMCTUMPHDY-HUUCEWRRSA-N 2 1 392.500 0.668 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642808245 1185805384 /nfs/dbraw/zinc/80/53/84/1185805384.db2.gz UMBWRRQUPLYVEK-ZYSHUDEJSA-N 2 1 388.512 0.588 20 0 GCADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623197 1185806793 /nfs/dbraw/zinc/80/67/93/1185806793.db2.gz HEWJXBWFEPAMSX-IRXDYDNUSA-N 2 1 376.501 0.665 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000430625357 1185808353 /nfs/dbraw/zinc/80/83/53/1185808353.db2.gz KKUIDMIDGBZAQU-FGTMMUONSA-N 2 1 378.517 0.300 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430625845 1185809470 /nfs/dbraw/zinc/80/94/70/1185809470.db2.gz KPBWQCCVENOMLG-GOSISDBHSA-N 2 1 398.511 0.318 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430627219 1185813179 /nfs/dbraw/zinc/81/31/79/1185813179.db2.gz MTNKPJYPWOBKEY-AWEZNQCLSA-N 2 1 382.892 0.622 20 0 GCADMP CCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430628679 1185815663 /nfs/dbraw/zinc/81/56/63/1185815663.db2.gz PAZLMFMFIKVMHA-QGZVFWFLSA-N 2 1 376.501 0.879 20 0 GCADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633093 1185822192 /nfs/dbraw/zinc/82/21/92/1185822192.db2.gz BIJQPNNURFBKQW-GOSISDBHSA-N 2 1 388.512 0.797 20 0 GCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430641927 1185846517 /nfs/dbraw/zinc/84/65/17/1185846517.db2.gz JPEIGVUMEWJMCM-KGLIPLIRSA-N 2 1 376.457 0.572 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641134 1185852084 /nfs/dbraw/zinc/85/20/84/1185852084.db2.gz SJECBNUCJOZRJN-HZPDHXFCSA-N 2 1 376.505 0.508 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641134 1185852087 /nfs/dbraw/zinc/85/20/87/1185852087.db2.gz SJECBNUCJOZRJN-HZPDHXFCSA-N 2 1 376.505 0.508 20 0 GCADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642206 1185854626 /nfs/dbraw/zinc/85/46/26/1185854626.db2.gz ODQPKYJHWOPUCC-SFHVURJKSA-N 2 1 388.512 0.498 20 0 GCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645833 1185859018 /nfs/dbraw/zinc/85/90/18/1185859018.db2.gz ORUDSRUAQVNJJX-HUUCEWRRSA-N 2 1 390.484 0.962 20 0 GCADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430645743 1185859753 /nfs/dbraw/zinc/85/97/53/1185859753.db2.gz OFSZONJYAYVFSO-SFHVURJKSA-N 2 1 388.512 0.593 20 0 GCADMP O=C([C@@H]1CCC[N@@H+](CCCN2C(=O)c3ccccc3C2=O)C1)N1CC[NH2+]CC1 ZINC000430647985 1185863600 /nfs/dbraw/zinc/86/36/00/1185863600.db2.gz QSTQJMSDTDRMPH-MRXNPFEDSA-N 2 1 384.480 0.817 20 0 GCADMP C[C@@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430648124 1185865917 /nfs/dbraw/zinc/86/59/17/1185865917.db2.gz YZQIPURJVQLUOI-KBPBESRZSA-N 2 1 382.455 0.799 20 0 GCADMP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650119 1185866302 /nfs/dbraw/zinc/86/63/02/1185866302.db2.gz JZZZECRIJCRUKA-NVXWUHKLSA-N 2 1 376.476 0.974 20 0 GCADMP COC1CCN(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000656890470 1185870070 /nfs/dbraw/zinc/87/00/70/1185870070.db2.gz PMZQCDAXCLQBBV-UHFFFAOYSA-N 2 1 397.545 0.539 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891481803 1185887433 /nfs/dbraw/zinc/88/74/33/1185887433.db2.gz HFACGNCUOOPMIY-CQSZACIVSA-N 2 1 394.545 0.612 20 0 GCADMP O=C(NCCN1CCC(O)CC1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000891506014 1185899049 /nfs/dbraw/zinc/89/90/49/1185899049.db2.gz SNYBJIDBFNBHRO-LJQANCHMSA-N 2 1 376.501 0.643 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000891538191 1185909270 /nfs/dbraw/zinc/90/92/70/1185909270.db2.gz SLCMLVMTIHOXAI-QGZVFWFLSA-N 2 1 375.517 0.798 20 0 GCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891566292 1185921187 /nfs/dbraw/zinc/92/11/87/1185921187.db2.gz TZOXBXXSFGOBNU-WOJBJXKFSA-N 2 1 387.528 0.407 20 0 GCADMP [NH3+][C@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000419905327 1185978389 /nfs/dbraw/zinc/97/83/89/1185978389.db2.gz YUGSXDPBMVJQQN-UONOGXRCSA-N 2 1 394.438 0.486 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)O1 ZINC000581932909 1185994445 /nfs/dbraw/zinc/99/44/45/1185994445.db2.gz UZGHNFIZGCKWTI-UXLLHSPISA-N 2 1 393.536 0.971 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)O1 ZINC000581932909 1185994450 /nfs/dbraw/zinc/99/44/50/1185994450.db2.gz UZGHNFIZGCKWTI-UXLLHSPISA-N 2 1 393.536 0.971 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)O1 ZINC000581932907 1185994554 /nfs/dbraw/zinc/99/45/54/1185994554.db2.gz UZGHNFIZGCKWTI-HLLBOEOZSA-N 2 1 393.536 0.971 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)O1 ZINC000581932907 1185994556 /nfs/dbraw/zinc/99/45/56/1185994556.db2.gz UZGHNFIZGCKWTI-HLLBOEOZSA-N 2 1 393.536 0.971 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000581934062 1185995627 /nfs/dbraw/zinc/99/56/27/1185995627.db2.gz FMRDXXOTZPUOGW-GJZGRUSLSA-N 2 1 379.530 0.006 20 0 GCADMP CC[NH+]1C[C@@H](C)N(C(=O)COCC(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000581967562 1186012999 /nfs/dbraw/zinc/01/29/99/1186012999.db2.gz XGHISZHKPBKCJQ-TVFCKZIOSA-N 2 1 382.549 0.885 20 0 GCADMP C[NH+]1CCC2(CCN2C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000891762494 1186016158 /nfs/dbraw/zinc/01/61/58/1186016158.db2.gz QCSOYMNNCYLCAW-UHFFFAOYSA-N 2 1 387.532 0.868 20 0 GCADMP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@H]1C ZINC000430710004 1186021138 /nfs/dbraw/zinc/02/11/38/1186021138.db2.gz PWPQLSPOAGPDLX-XLIONFOSSA-N 2 1 385.512 0.980 20 0 GCADMP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@H]1C ZINC000430710004 1186021142 /nfs/dbraw/zinc/02/11/42/1186021142.db2.gz PWPQLSPOAGPDLX-XLIONFOSSA-N 2 1 385.512 0.980 20 0 GCADMP C[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000430862387 1186041232 /nfs/dbraw/zinc/04/12/32/1186041232.db2.gz DPDHCPLKLNZMBN-KXBFYZLASA-N 2 1 384.484 0.932 20 0 GCADMP C[C@H](CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000430865973 1186043111 /nfs/dbraw/zinc/04/31/11/1186043111.db2.gz PMVNXCJHKPZDQC-CVEARBPZSA-N 2 1 376.505 0.621 20 0 GCADMP Cc1c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)nnn1C1CC[NH2+]CC1 ZINC000430873755 1186045195 /nfs/dbraw/zinc/04/51/95/1186045195.db2.gz WODYUYRGPKHAED-MRXNPFEDSA-N 2 1 391.520 0.184 20 0 GCADMP C[C@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430931187 1186055894 /nfs/dbraw/zinc/05/58/94/1186055894.db2.gz AYIVOQOJMKEWTE-YJBOKZPZSA-N 2 1 383.514 0.755 20 0 GCADMP C[C@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430931187 1186055900 /nfs/dbraw/zinc/05/59/00/1186055900.db2.gz AYIVOQOJMKEWTE-YJBOKZPZSA-N 2 1 383.514 0.755 20 0 GCADMP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000891824228 1186064652 /nfs/dbraw/zinc/06/46/52/1186064652.db2.gz NQIRGYLOLMIWNP-KDURUIRLSA-N 2 1 385.512 0.777 20 0 GCADMP C[N@@H+]1C[C@H]2CN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000891824228 1186064655 /nfs/dbraw/zinc/06/46/55/1186064655.db2.gz NQIRGYLOLMIWNP-KDURUIRLSA-N 2 1 385.512 0.777 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854057 1186094181 /nfs/dbraw/zinc/09/41/81/1186094181.db2.gz ADKZPGOLDJCAPZ-TWMKSMIVSA-N 2 1 395.504 0.064 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857424 1186099593 /nfs/dbraw/zinc/09/95/93/1186099593.db2.gz AZOGCDZMCZDVHG-TWMKSMIVSA-N 2 1 377.489 0.580 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857422 1186100064 /nfs/dbraw/zinc/10/00/64/1186100064.db2.gz AZOGCDZMCZDVHG-HZMVEIRTSA-N 2 1 377.489 0.580 20 0 GCADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007923 1186306274 /nfs/dbraw/zinc/30/62/74/1186306274.db2.gz COEVSJYGEVUDMF-RTBURBONSA-N 2 1 381.565 0.990 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102812131 1186322091 /nfs/dbraw/zinc/32/20/91/1186322091.db2.gz URNWAVNBASDEFD-UHFFFAOYSA-N 2 1 389.544 0.873 20 0 GCADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892087781 1186334026 /nfs/dbraw/zinc/33/40/26/1186334026.db2.gz HYDXUZFNRZLYQU-HXUWFJFHSA-N 2 1 387.528 0.886 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C(F)(F)F ZINC000892132663 1186363823 /nfs/dbraw/zinc/36/38/23/1186363823.db2.gz QXLULFXXRFERPA-URGYJCLVSA-N 2 1 377.455 0.981 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892156989 1186380352 /nfs/dbraw/zinc/38/03/52/1186380352.db2.gz UGXPMUFRRVYQIE-HUUCEWRRSA-N 2 1 375.464 0.079 20 0 GCADMP OCC[NH+]1CCC[C@H]2[C@H]1CCN2C/C=C/CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264650 1186391578 /nfs/dbraw/zinc/39/15/78/1186391578.db2.gz UPHMGKMWQXEGMP-DSSAHMMJSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C/CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934264650 1186391587 /nfs/dbraw/zinc/39/15/87/1186391587.db2.gz UPHMGKMWQXEGMP-DSSAHMMJSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C/CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934264650 1186391594 /nfs/dbraw/zinc/39/15/94/1186391594.db2.gz UPHMGKMWQXEGMP-DSSAHMMJSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@H]1CCN2C/C=C\CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264660 1186391928 /nfs/dbraw/zinc/39/19/28/1186391928.db2.gz UPHMGKMWQXEGMP-VXXAQHDBSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C\CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264660 1186391933 /nfs/dbraw/zinc/39/19/33/1186391933.db2.gz UPHMGKMWQXEGMP-VXXAQHDBSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C\CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934264660 1186391937 /nfs/dbraw/zinc/39/19/37/1186391937.db2.gz UPHMGKMWQXEGMP-VXXAQHDBSA-N 2 1 392.588 0.605 20 0 GCADMP CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000511077054 1186418663 /nfs/dbraw/zinc/41/86/63/1186418663.db2.gz RIQMNXAAARZASW-MSOLQXFVSA-N 2 1 382.549 0.792 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892187839 1186419759 /nfs/dbraw/zinc/41/97/59/1186419759.db2.gz NJLZWAITSYOGBB-NCXUSEDFSA-N 2 1 379.549 0.470 20 0 GCADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000892220102 1186464225 /nfs/dbraw/zinc/46/42/25/1186464225.db2.gz WVGXBTKWROLEAL-UHFFFAOYSA-N 2 1 394.541 0.257 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000582306914 1186491519 /nfs/dbraw/zinc/49/15/19/1186491519.db2.gz LHFZNSNDKPTRGE-GOSISDBHSA-N 2 1 382.549 0.827 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000413485258 1186525045 /nfs/dbraw/zinc/52/50/45/1186525045.db2.gz GYXWTJYAJPYUIA-QGZVFWFLSA-N 2 1 386.537 0.476 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000413485258 1186525047 /nfs/dbraw/zinc/52/50/47/1186525047.db2.gz GYXWTJYAJPYUIA-QGZVFWFLSA-N 2 1 386.537 0.476 20 0 GCADMP CC[C@H]1C[NH+](C)CCCN1C(=O)COCC(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000684864590 1186525885 /nfs/dbraw/zinc/52/58/85/1186525885.db2.gz LXHWWJBWZXALHE-ROUUACIJSA-N 2 1 382.549 0.888 20 0 GCADMP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000582547255 1186562577 /nfs/dbraw/zinc/56/25/77/1186562577.db2.gz UVCOIDVNWMJZES-KRWDZBQOSA-N 2 1 379.549 0.073 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619961 1186587296 /nfs/dbraw/zinc/58/72/96/1186587296.db2.gz MDGOPSVECKZIIK-BQFCYCMXSA-N 2 1 379.549 0.116 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000582627998 1186590448 /nfs/dbraw/zinc/59/04/48/1186590448.db2.gz MTMJYEWACWWRBN-FGTMMUONSA-N 2 1 380.533 0.279 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+]1C ZINC000582627998 1186590452 /nfs/dbraw/zinc/59/04/52/1186590452.db2.gz MTMJYEWACWWRBN-FGTMMUONSA-N 2 1 380.533 0.279 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000363485107 1186611351 /nfs/dbraw/zinc/61/13/51/1186611351.db2.gz KLCXTEUXXYDIBH-MOPGFXCFSA-N 2 1 379.549 0.707 20 0 GCADMP C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656107 1186626529 /nfs/dbraw/zinc/62/65/29/1186626529.db2.gz XGPXVQPVCNSTEV-RTBURBONSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656107 1186626531 /nfs/dbraw/zinc/62/65/31/1186626531.db2.gz XGPXVQPVCNSTEV-RTBURBONSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656107 1186626533 /nfs/dbraw/zinc/62/65/33/1186626533.db2.gz XGPXVQPVCNSTEV-RTBURBONSA-N 2 1 380.581 0.291 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1CCOC ZINC000582740175 1186645849 /nfs/dbraw/zinc/64/58/49/1186645849.db2.gz HZUYDZPAAZTTGJ-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000582740175 1186645851 /nfs/dbraw/zinc/64/58/51/1186645851.db2.gz HZUYDZPAAZTTGJ-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000582740175 1186645853 /nfs/dbraw/zinc/64/58/53/1186645853.db2.gz HZUYDZPAAZTTGJ-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740175 1186645854 /nfs/dbraw/zinc/64/58/54/1186645854.db2.gz HZUYDZPAAZTTGJ-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740175 1186645883 /nfs/dbraw/zinc/64/58/83/1186645883.db2.gz HZUYDZPAAZTTGJ-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP CN(C(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000642919842 1186669393 /nfs/dbraw/zinc/66/93/93/1186669393.db2.gz JQZBETSAXAIRLM-MOPGFXCFSA-N 2 1 393.576 0.650 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000237607660 1186695232 /nfs/dbraw/zinc/69/52/32/1186695232.db2.gz RFXGTCAGQYPJBV-CALCHBBNSA-N 2 1 389.548 0.833 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000582863934 1186716945 /nfs/dbraw/zinc/71/69/45/1186716945.db2.gz GXVPWWYNTZITLD-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000582863934 1186716951 /nfs/dbraw/zinc/71/69/51/1186716951.db2.gz GXVPWWYNTZITLD-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP CCC(CC)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620501 1186739271 /nfs/dbraw/zinc/73/92/71/1186739271.db2.gz LIONOTYJLNZBJN-MOPGFXCFSA-N 2 1 394.560 0.888 20 0 GCADMP CCC(CC)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620501 1186739275 /nfs/dbraw/zinc/73/92/75/1186739275.db2.gz LIONOTYJLNZBJN-MOPGFXCFSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC000582986291 1186741881 /nfs/dbraw/zinc/74/18/81/1186741881.db2.gz OITMGISARJBNGY-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCCO1 ZINC000582986291 1186741884 /nfs/dbraw/zinc/74/18/84/1186741884.db2.gz OITMGISARJBNGY-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCCO1 ZINC000582986291 1186741888 /nfs/dbraw/zinc/74/18/88/1186741888.db2.gz OITMGISARJBNGY-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074643 1186764005 /nfs/dbraw/zinc/76/40/05/1186764005.db2.gz SZPGTESJCIIYLZ-KSZLIROESA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074643 1186764008 /nfs/dbraw/zinc/76/40/08/1186764008.db2.gz SZPGTESJCIIYLZ-KSZLIROESA-N 2 1 380.533 0.641 20 0 GCADMP C[C@H](CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000153874847 1186772850 /nfs/dbraw/zinc/77/28/50/1186772850.db2.gz DZRGMBQDQVNAGE-RLLQIKCJSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@H](CNC(=O)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000153874847 1186772853 /nfs/dbraw/zinc/77/28/53/1186772853.db2.gz DZRGMBQDQVNAGE-RLLQIKCJSA-N 2 1 390.528 0.889 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685082828 1186775776 /nfs/dbraw/zinc/77/57/76/1186775776.db2.gz VZGMTFNIVPIFIK-FUHWJXTLSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685082828 1186775777 /nfs/dbraw/zinc/77/57/77/1186775777.db2.gz VZGMTFNIVPIFIK-FUHWJXTLSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685082829 1186776053 /nfs/dbraw/zinc/77/60/53/1186776053.db2.gz VZGMTFNIVPIFIK-SJLPKXTDSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685082829 1186776054 /nfs/dbraw/zinc/77/60/54/1186776054.db2.gz VZGMTFNIVPIFIK-SJLPKXTDSA-N 2 1 382.549 0.696 20 0 GCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583174835 1186788980 /nfs/dbraw/zinc/78/89/80/1186788980.db2.gz HSGPPFCYAMZODF-OAHLLOKOSA-N 2 1 378.521 1.325 20 0 GCADMP CCc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000124588220 1186797970 /nfs/dbraw/zinc/79/79/70/1186797970.db2.gz JEZNGWKHOBFMII-INIZCTEOSA-N 2 1 376.505 0.852 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590478 1186798893 /nfs/dbraw/zinc/79/88/93/1186798893.db2.gz OTDAKDYULOXHOT-INIZCTEOSA-N 2 1 391.516 0.507 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583250806 1186807744 /nfs/dbraw/zinc/80/77/44/1186807744.db2.gz GEMOQBDAWOOZHM-HNNXBMFYSA-N 2 1 386.496 0.983 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000583276517 1186814729 /nfs/dbraw/zinc/81/47/29/1186814729.db2.gz DULQAJMHEXOWFW-OKZBNKHCSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@H](CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000080050542 1186820097 /nfs/dbraw/zinc/82/00/97/1186820097.db2.gz HWRDNCCJDCVNDR-QGZVFWFLSA-N 2 1 379.549 0.914 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)CC1 ZINC000583313795 1186823810 /nfs/dbraw/zinc/82/38/10/1186823810.db2.gz KDDLMFZPLVUBKA-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000583313795 1186823814 /nfs/dbraw/zinc/82/38/14/1186823814.db2.gz KDDLMFZPLVUBKA-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000583313795 1186823817 /nfs/dbraw/zinc/82/38/17/1186823817.db2.gz KDDLMFZPLVUBKA-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583324727 1186825438 /nfs/dbraw/zinc/82/54/38/1186825438.db2.gz IRVMAHPUENWSRT-AYBZRNKSSA-N 2 1 376.501 0.492 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583324727 1186825440 /nfs/dbraw/zinc/82/54/40/1186825440.db2.gz IRVMAHPUENWSRT-AYBZRNKSSA-N 2 1 376.501 0.492 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)[C@@H]2C1 ZINC000583340549 1186830971 /nfs/dbraw/zinc/83/09/71/1186830971.db2.gz QNMWOOYQSWAPQS-JFIYKMOQSA-N 2 1 378.517 0.156 20 0 GCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392502 1186844139 /nfs/dbraw/zinc/84/41/39/1186844139.db2.gz IKEJGSASJRVWCX-GBESFXJTSA-N 2 1 385.512 0.504 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000583738685 1186930210 /nfs/dbraw/zinc/93/02/10/1186930210.db2.gz LYRXDUIWCHGXGT-UHFFFAOYSA-N 2 1 393.576 0.558 20 0 GCADMP COCC[N@@H+](C)CCC[NH2+]C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 ZINC000157578372 1186932778 /nfs/dbraw/zinc/93/27/78/1186932778.db2.gz VNMCBXJENZCISZ-UHFFFAOYSA-N 2 1 387.550 0.738 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329437995 1186939776 /nfs/dbraw/zinc/93/97/76/1186939776.db2.gz JOOITZPDTYNUSC-MOPGFXCFSA-N 2 1 392.544 0.787 20 0 GCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000583858075 1186952742 /nfs/dbraw/zinc/95/27/42/1186952742.db2.gz RMIRHPBAUMFINZ-UHFFFAOYSA-N 2 1 394.560 0.890 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCO1 ZINC000458710748 1186955860 /nfs/dbraw/zinc/95/58/60/1186955860.db2.gz FGJVCMKNCDMFIM-GOSISDBHSA-N 2 1 397.564 0.779 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)CC2)cc[nH+]1 ZINC000584051122 1186990219 /nfs/dbraw/zinc/99/02/19/1186990219.db2.gz IIOJFPVQGJMNPB-CQSZACIVSA-N 2 1 385.476 0.021 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000584080726 1186995627 /nfs/dbraw/zinc/99/56/27/1186995627.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1=CC[NH+](C)CC1 ZINC000584080726 1186995629 /nfs/dbraw/zinc/99/56/29/1186995629.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1=CC[NH+](C)CC1 ZINC000584080726 1186995632 /nfs/dbraw/zinc/99/56/32/1186995632.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000584080726 1186995633 /nfs/dbraw/zinc/99/56/33/1186995633.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000584080726 1186995637 /nfs/dbraw/zinc/99/56/37/1186995637.db2.gz PNNYBCBFDXAIHZ-MRXNPFEDSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)C[C@H](C)O1 ZINC000584107295 1186999958 /nfs/dbraw/zinc/99/99/58/1186999958.db2.gz GSKJEFXXPNMWHW-JFRXWTBNSA-N 2 1 392.544 0.545 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835018 1187014944 /nfs/dbraw/zinc/01/49/44/1187014944.db2.gz NSTQKDKMHFHWTE-HNNXBMFYSA-N 2 1 392.504 0.436 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823048 1187035777 /nfs/dbraw/zinc/03/57/77/1187035777.db2.gz MRAJXJNOMNTLOS-ZWKOTPCHSA-N 2 1 378.517 0.489 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)NC1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC000635562239 1187092232 /nfs/dbraw/zinc/09/22/32/1187092232.db2.gz MCNGBHBNIZYMKR-IRXDYDNUSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCOCC1 ZINC000635562239 1187092235 /nfs/dbraw/zinc/09/22/35/1187092235.db2.gz MCNGBHBNIZYMKR-IRXDYDNUSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(NC(=O)[C@@H]2CCCC[N@H+]2C)CCOCC1 ZINC000635562239 1187092238 /nfs/dbraw/zinc/09/22/38/1187092238.db2.gz MCNGBHBNIZYMKR-IRXDYDNUSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685339126 1187102478 /nfs/dbraw/zinc/10/24/78/1187102478.db2.gz HJSHIJFMHGNJCT-ONIAQPFYSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685339126 1187102483 /nfs/dbraw/zinc/10/24/83/1187102483.db2.gz HJSHIJFMHGNJCT-ONIAQPFYSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339126 1187102486 /nfs/dbraw/zinc/10/24/86/1187102486.db2.gz HJSHIJFMHGNJCT-ONIAQPFYSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339126 1187102492 /nfs/dbraw/zinc/10/24/92/1187102492.db2.gz HJSHIJFMHGNJCT-ONIAQPFYSA-N 2 1 378.517 0.297 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000685339133 1187102914 /nfs/dbraw/zinc/10/29/14/1187102914.db2.gz DOEWPUDUGDEWPA-MJGOQNOKSA-N 2 1 390.528 0.721 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000685339133 1187102916 /nfs/dbraw/zinc/10/29/16/1187102916.db2.gz DOEWPUDUGDEWPA-MJGOQNOKSA-N 2 1 390.528 0.721 20 0 GCADMP C[C@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000685338135 1187106880 /nfs/dbraw/zinc/10/68/80/1187106880.db2.gz AZQONMBUGKFLKL-MAUKXSAKSA-N 2 1 376.501 0.242 20 0 GCADMP C[C@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338135 1187106884 /nfs/dbraw/zinc/10/68/84/1187106884.db2.gz AZQONMBUGKFLKL-MAUKXSAKSA-N 2 1 376.501 0.242 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344444 1187110456 /nfs/dbraw/zinc/11/04/56/1187110456.db2.gz XACHSGBHFRVLNF-QAPCUYQASA-N 2 1 394.491 0.551 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344444 1187110463 /nfs/dbraw/zinc/11/04/63/1187110463.db2.gz XACHSGBHFRVLNF-QAPCUYQASA-N 2 1 394.491 0.551 20 0 GCADMP CN(C(=O)C(=O)NCCCOC(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685508414 1187138648 /nfs/dbraw/zinc/13/86/48/1187138648.db2.gz WQDKLTMVRHOZQZ-CQSZACIVSA-N 2 1 376.448 0.359 20 0 GCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685520294 1187143453 /nfs/dbraw/zinc/14/34/53/1187143453.db2.gz BOPMXQVMIRVSED-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520294 1187143459 /nfs/dbraw/zinc/14/34/59/1187143459.db2.gz BOPMXQVMIRVSED-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520294 1187143463 /nfs/dbraw/zinc/14/34/63/1187143463.db2.gz BOPMXQVMIRVSED-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000685520295 1187143776 /nfs/dbraw/zinc/14/37/76/1187143776.db2.gz BOPMXQVMIRVSED-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520295 1187143779 /nfs/dbraw/zinc/14/37/79/1187143779.db2.gz BOPMXQVMIRVSED-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520295 1187143781 /nfs/dbraw/zinc/14/37/81/1187143781.db2.gz BOPMXQVMIRVSED-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000172305837 1187155198 /nfs/dbraw/zinc/15/51/98/1187155198.db2.gz DWYJSULXAGUHRV-SFHVURJKSA-N 2 1 389.544 0.897 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2O)CC[N@H+]1C ZINC001023979060 1187210730 /nfs/dbraw/zinc/21/07/30/1187210730.db2.gz PWDDALUDNDEWQY-BSDSXHPESA-N 2 1 380.533 0.137 20 0 GCADMP CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673774 1187218307 /nfs/dbraw/zinc/21/83/07/1187218307.db2.gz WHMIEHHVRVEGOR-INIZCTEOSA-N 2 1 375.477 0.880 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000658216513 1187258927 /nfs/dbraw/zinc/25/89/27/1187258927.db2.gz NTIYFOJEPYMYIZ-UHFFFAOYSA-N 2 1 393.576 0.417 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)O1 ZINC000972855698 1187281762 /nfs/dbraw/zinc/28/17/62/1187281762.db2.gz VFVHTEKERGGKHQ-VDHUWJSZSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)O1 ZINC000972855698 1187281765 /nfs/dbraw/zinc/28/17/65/1187281765.db2.gz VFVHTEKERGGKHQ-VDHUWJSZSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)O1 ZINC000972855398 1187282496 /nfs/dbraw/zinc/28/24/96/1187282496.db2.gz SJDKOOJDWLMVAF-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)O1 ZINC000972855398 1187282498 /nfs/dbraw/zinc/28/24/98/1187282498.db2.gz SJDKOOJDWLMVAF-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)O1 ZINC000972855398 1187282502 /nfs/dbraw/zinc/28/25/02/1187282502.db2.gz SJDKOOJDWLMVAF-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)O1 ZINC000972855398 1187282507 /nfs/dbraw/zinc/28/25/07/1187282507.db2.gz SJDKOOJDWLMVAF-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP CC[NH+]1CCN(c2nnc([C@@H]3C[N@H+]4CCC[C@@H]4CO3)n2C[C@@H]2CCOC2)CC1 ZINC000612154362 1187314573 /nfs/dbraw/zinc/31/45/73/1187314573.db2.gz ZZXAACLOBYCUQJ-KSZLIROESA-N 2 1 390.532 0.992 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000658568906 1187349482 /nfs/dbraw/zinc/34/94/82/1187349482.db2.gz YTTVMEUCHLGHTR-MSOLQXFVSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000658568906 1187349484 /nfs/dbraw/zinc/34/94/84/1187349484.db2.gz YTTVMEUCHLGHTR-MSOLQXFVSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000658568906 1187349488 /nfs/dbraw/zinc/34/94/88/1187349488.db2.gz YTTVMEUCHLGHTR-MSOLQXFVSA-N 2 1 379.549 0.025 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000548896829 1187371226 /nfs/dbraw/zinc/37/12/26/1187371226.db2.gz DQRWXWDYQCMRIU-AWEZNQCLSA-N 2 1 390.492 0.662 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000658622887 1187389664 /nfs/dbraw/zinc/38/96/64/1187389664.db2.gz ISJFVHCWJGSEOX-KRWDZBQOSA-N 2 1 381.565 0.460 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000658622887 1187389669 /nfs/dbraw/zinc/38/96/69/1187389669.db2.gz ISJFVHCWJGSEOX-KRWDZBQOSA-N 2 1 381.565 0.460 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@@H]2C1 ZINC000612223822 1187411936 /nfs/dbraw/zinc/41/19/36/1187411936.db2.gz LORFNMLXTNSOLB-WOJBJXKFSA-N 2 1 399.539 0.962 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CCOC ZINC000658694216 1187413620 /nfs/dbraw/zinc/41/36/20/1187413620.db2.gz CHMUPYKRMAGIEN-SJORKVTESA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CCOC ZINC000658694216 1187413622 /nfs/dbraw/zinc/41/36/22/1187413622.db2.gz CHMUPYKRMAGIEN-SJORKVTESA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694216 1187413626 /nfs/dbraw/zinc/41/36/26/1187413626.db2.gz CHMUPYKRMAGIEN-SJORKVTESA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694216 1187413627 /nfs/dbraw/zinc/41/36/27/1187413627.db2.gz CHMUPYKRMAGIEN-SJORKVTESA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CCOC ZINC000658694215 1187413737 /nfs/dbraw/zinc/41/37/37/1187413737.db2.gz CHMUPYKRMAGIEN-IRXDYDNUSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CCOC ZINC000658694215 1187413739 /nfs/dbraw/zinc/41/37/39/1187413739.db2.gz CHMUPYKRMAGIEN-IRXDYDNUSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694215 1187413740 /nfs/dbraw/zinc/41/37/40/1187413740.db2.gz CHMUPYKRMAGIEN-IRXDYDNUSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694215 1187413742 /nfs/dbraw/zinc/41/37/42/1187413742.db2.gz CHMUPYKRMAGIEN-IRXDYDNUSA-N 2 1 382.549 0.935 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612447319 1187493295 /nfs/dbraw/zinc/49/32/95/1187493295.db2.gz PGZFAHJHQACBMB-IEBWSBKVSA-N 2 1 392.544 0.879 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612543892 1187518217 /nfs/dbraw/zinc/51/82/17/1187518217.db2.gz TUTFKEZCOIGLKX-SFHVURJKSA-N 2 1 379.549 0.073 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612543889 1187518284 /nfs/dbraw/zinc/51/82/84/1187518284.db2.gz TUTFKEZCOIGLKX-GOSISDBHSA-N 2 1 379.549 0.073 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000612548950 1187519723 /nfs/dbraw/zinc/51/97/23/1187519723.db2.gz UGKNCXROZNJRMB-XLAORIBOSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000612548950 1187519726 /nfs/dbraw/zinc/51/97/26/1187519726.db2.gz UGKNCXROZNJRMB-XLAORIBOSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548655 1187521207 /nfs/dbraw/zinc/52/12/07/1187521207.db2.gz PLBHYDAWUCYMMH-CEXWTWQISA-N 2 1 393.576 0.604 20 0 GCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548655 1187521212 /nfs/dbraw/zinc/52/12/12/1187521212.db2.gz PLBHYDAWUCYMMH-CEXWTWQISA-N 2 1 393.576 0.604 20 0 GCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548655 1187521216 /nfs/dbraw/zinc/52/12/16/1187521216.db2.gz PLBHYDAWUCYMMH-CEXWTWQISA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612546407 1187521579 /nfs/dbraw/zinc/52/15/79/1187521579.db2.gz SFLBTYNBSSNCFD-GOSISDBHSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000612546585 1187522768 /nfs/dbraw/zinc/52/27/68/1187522768.db2.gz UGJZFRHHKQZDAC-BZSNNMDCSA-N 2 1 379.549 0.071 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@@H]2C1 ZINC000612560052 1187524256 /nfs/dbraw/zinc/52/42/56/1187524256.db2.gz OQWCFLKWZSNVIW-BRSBDYLESA-N 2 1 390.528 0.299 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@@H]2C1 ZINC000612560052 1187524259 /nfs/dbraw/zinc/52/42/59/1187524259.db2.gz OQWCFLKWZSNVIW-BRSBDYLESA-N 2 1 390.528 0.299 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597770 1187535944 /nfs/dbraw/zinc/53/59/44/1187535944.db2.gz NAGZHZCTBZKZHI-BPQIPLTHSA-N 2 1 378.517 0.299 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612596999 1187536739 /nfs/dbraw/zinc/53/67/39/1187536739.db2.gz ZKTFAFSTBAEORW-HKUYNNGSSA-N 2 1 392.544 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000658821216 1187553825 /nfs/dbraw/zinc/55/38/25/1187553825.db2.gz KDECBVSFKPRFIS-ROUUACIJSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000658821216 1187553828 /nfs/dbraw/zinc/55/38/28/1187553828.db2.gz KDECBVSFKPRFIS-ROUUACIJSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000658821216 1187553830 /nfs/dbraw/zinc/55/38/30/1187553830.db2.gz KDECBVSFKPRFIS-ROUUACIJSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000658821216 1187553834 /nfs/dbraw/zinc/55/38/34/1187553834.db2.gz KDECBVSFKPRFIS-ROUUACIJSA-N 2 1 382.549 0.888 20 0 GCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612776672 1187582045 /nfs/dbraw/zinc/58/20/45/1187582045.db2.gz NKRZXCHSZLWPLQ-IBGZPJMESA-N 2 1 392.544 0.405 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccn4c[nH+]cc4c3)C2)CC[N@H+]1C ZINC001024861941 1187652971 /nfs/dbraw/zinc/65/29/71/1187652971.db2.gz MSDCRYJNDUXQFO-BSDSXHPESA-N 2 1 385.468 0.366 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000613080439 1187659932 /nfs/dbraw/zinc/65/99/32/1187659932.db2.gz PXOMWYGYOKIZTK-SQNIBIBYSA-N 2 1 388.516 0.745 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000613080439 1187659938 /nfs/dbraw/zinc/65/99/38/1187659938.db2.gz PXOMWYGYOKIZTK-SQNIBIBYSA-N 2 1 388.516 0.745 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000613080439 1187659942 /nfs/dbraw/zinc/65/99/42/1187659942.db2.gz PXOMWYGYOKIZTK-SQNIBIBYSA-N 2 1 388.516 0.745 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000613080439 1187659947 /nfs/dbraw/zinc/65/99/47/1187659947.db2.gz PXOMWYGYOKIZTK-SQNIBIBYSA-N 2 1 388.516 0.745 20 0 GCADMP CC(C)[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000431775335 1187705410 /nfs/dbraw/zinc/70/54/10/1187705410.db2.gz ITJDBKYMSVGPIN-SFHVURJKSA-N 2 1 397.564 0.635 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000892535124 1187710538 /nfs/dbraw/zinc/71/05/38/1187710538.db2.gz ARAGRJKRNOKAKY-BHIYHBOVSA-N 2 1 376.501 0.953 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000892535124 1187710544 /nfs/dbraw/zinc/71/05/44/1187710544.db2.gz ARAGRJKRNOKAKY-BHIYHBOVSA-N 2 1 376.501 0.953 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)CC[N@H+]1C ZINC001025000084 1187741891 /nfs/dbraw/zinc/74/18/91/1187741891.db2.gz BABRAXQYGDNFRH-YLFCFFPRSA-N 2 1 380.533 0.279 20 0 GCADMP CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)CC3)CC1 ZINC000332745145 1187759810 /nfs/dbraw/zinc/75/98/10/1187759810.db2.gz FUZIECJTHWECSF-RDJZCZTQSA-N 2 1 388.516 0.044 20 0 GCADMP CN1CCC[C@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000332745145 1187759812 /nfs/dbraw/zinc/75/98/12/1187759812.db2.gz FUZIECJTHWECSF-RDJZCZTQSA-N 2 1 388.516 0.044 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000376322940 1187761610 /nfs/dbraw/zinc/76/16/10/1187761610.db2.gz ORXRGECPAMNRNE-XYTVBORESA-N 2 1 381.521 0.090 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000376322940 1187761614 /nfs/dbraw/zinc/76/16/14/1187761614.db2.gz ORXRGECPAMNRNE-XYTVBORESA-N 2 1 381.521 0.090 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000376322940 1187761619 /nfs/dbraw/zinc/76/16/19/1187761619.db2.gz ORXRGECPAMNRNE-XYTVBORESA-N 2 1 381.521 0.090 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000376343972 1187779047 /nfs/dbraw/zinc/77/90/47/1187779047.db2.gz MOEXQEFSAJWDPP-OALUTQOASA-N 2 1 398.548 0.618 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000659027306 1187846436 /nfs/dbraw/zinc/84/64/36/1187846436.db2.gz MERHTYMRMMFCAP-UHFFFAOYSA-N 2 1 380.533 0.500 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CC1 ZINC000659027315 1187846495 /nfs/dbraw/zinc/84/64/95/1187846495.db2.gz QFRHNDUYITWKGD-SFHVURJKSA-N 2 1 379.549 0.168 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659027315 1187846501 /nfs/dbraw/zinc/84/65/01/1187846501.db2.gz QFRHNDUYITWKGD-SFHVURJKSA-N 2 1 379.549 0.168 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659027315 1187846505 /nfs/dbraw/zinc/84/65/05/1187846505.db2.gz QFRHNDUYITWKGD-SFHVURJKSA-N 2 1 379.549 0.168 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000105322954 1187879010 /nfs/dbraw/zinc/87/90/10/1187879010.db2.gz HSPSMMRGIPTXBW-KZNAEPCWSA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](O)COC3CCOCC3)CC2)CC1 ZINC000376519807 1187907498 /nfs/dbraw/zinc/90/74/98/1187907498.db2.gz SQRXAJWORXMHLH-IBGZPJMESA-N 2 1 397.560 0.809 20 0 GCADMP CN(C(=O)c1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000659287825 1187925297 /nfs/dbraw/zinc/92/52/97/1187925297.db2.gz UUDCICGRKJIQSY-INIZCTEOSA-N 2 1 385.472 0.655 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344785 1187945819 /nfs/dbraw/zinc/94/58/19/1187945819.db2.gz KQXDZUBIZRMBLL-RBUKOAKNSA-N 2 1 391.560 0.310 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344785 1187945824 /nfs/dbraw/zinc/94/58/24/1187945824.db2.gz KQXDZUBIZRMBLL-RBUKOAKNSA-N 2 1 391.560 0.310 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000659456313 1187961154 /nfs/dbraw/zinc/96/11/54/1187961154.db2.gz KMEFWQJMGSJISM-ZFWWWQNUSA-N 2 1 380.493 0.577 20 0 GCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000659642275 1187979837 /nfs/dbraw/zinc/97/98/37/1187979837.db2.gz VAYGUIDLBYIATG-SFHVURJKSA-N 2 1 377.533 0.714 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)[nH]n1 ZINC000613597136 1187982047 /nfs/dbraw/zinc/98/20/47/1187982047.db2.gz QHBQZPXPFHWLHM-UHFFFAOYSA-N 2 1 376.505 0.742 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)c1cc(C(=O)N(C)CC[N@H+](C)C2CC2)n[nH]1 ZINC000613597136 1187982048 /nfs/dbraw/zinc/98/20/48/1187982048.db2.gz QHBQZPXPFHWLHM-UHFFFAOYSA-N 2 1 376.505 0.742 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC2)n[nH]1 ZINC000613597136 1187982050 /nfs/dbraw/zinc/98/20/50/1187982050.db2.gz QHBQZPXPFHWLHM-UHFFFAOYSA-N 2 1 376.505 0.742 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000659684356 1187995855 /nfs/dbraw/zinc/99/58/55/1187995855.db2.gz HDUMYGCOBUCUPR-NJAFHUGGSA-N 2 1 382.549 0.825 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000659686813 1187997441 /nfs/dbraw/zinc/99/74/41/1187997441.db2.gz KGFYZLCLCIDHET-INIZCTEOSA-N 2 1 398.467 0.038 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659689555 1187998257 /nfs/dbraw/zinc/99/82/57/1187998257.db2.gz CRDXCKOZGQZZBW-OAGGEKHMSA-N 2 1 376.501 0.636 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C[NH+]1CCOCC1 ZINC000659691569 1187999920 /nfs/dbraw/zinc/99/99/20/1187999920.db2.gz KEYYZNTZSYBRPP-WMZOPIPTSA-N 2 1 380.533 0.309 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659691217 1188000330 /nfs/dbraw/zinc/00/03/30/1188000330.db2.gz VTEPQCSDXMTZJN-OAHLLOKOSA-N 2 1 398.467 0.038 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C[NH+]1CCOCC1 ZINC000659691566 1188000420 /nfs/dbraw/zinc/00/04/20/1188000420.db2.gz KEYYZNTZSYBRPP-SJLPKXTDSA-N 2 1 380.533 0.309 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000659706184 1188002656 /nfs/dbraw/zinc/00/26/56/1188002656.db2.gz FVCPHFCQSCJBQU-CZUORRHYSA-N 2 1 398.467 0.036 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659698811 1188003937 /nfs/dbraw/zinc/00/39/37/1188003937.db2.gz MXZNZXLUOAHHHS-WBVHZDCISA-N 2 1 376.501 0.588 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659698811 1188003941 /nfs/dbraw/zinc/00/39/41/1188003941.db2.gz MXZNZXLUOAHHHS-WBVHZDCISA-N 2 1 376.501 0.588 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000415298545 1188024774 /nfs/dbraw/zinc/02/47/74/1188024774.db2.gz LUFYQAXSQHTPIU-GOSISDBHSA-N 2 1 399.495 0.732 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000659130737 1188029467 /nfs/dbraw/zinc/02/94/67/1188029467.db2.gz OGAZBVKAZGSMNY-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000659130737 1188029472 /nfs/dbraw/zinc/02/94/72/1188029472.db2.gz OGAZBVKAZGSMNY-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCN3CC[NH2+]CC3)cc2)C1 ZINC000415328352 1188039529 /nfs/dbraw/zinc/03/95/29/1188039529.db2.gz LTYAQJSDGWEOLY-QGZVFWFLSA-N 2 1 387.528 0.878 20 0 GCADMP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415469782 1188087880 /nfs/dbraw/zinc/08/78/80/1188087880.db2.gz MMEOKLRSFIRORR-UHFFFAOYSA-N 2 1 387.484 0.766 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000415506279 1188093434 /nfs/dbraw/zinc/09/34/34/1188093434.db2.gz ZQODNMSJKCTVCT-QGZVFWFLSA-N 2 1 389.500 0.646 20 0 GCADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c2)CC1 ZINC000415614570 1188128817 /nfs/dbraw/zinc/12/88/17/1188128817.db2.gz PEESXQUSVLMIOU-UHFFFAOYSA-N 2 1 383.443 0.866 20 0 GCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000415725319 1188150410 /nfs/dbraw/zinc/15/04/10/1188150410.db2.gz LSTMMZIRCLKROR-MRXNPFEDSA-N 2 1 393.919 0.846 20 0 GCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)ccc1Cl ZINC000415725318 1188150716 /nfs/dbraw/zinc/15/07/16/1188150716.db2.gz LSTMMZIRCLKROR-INIZCTEOSA-N 2 1 393.919 0.846 20 0 GCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)c1)C1CC1 ZINC000415721961 1188151262 /nfs/dbraw/zinc/15/12/62/1188151262.db2.gz GPPPVZNIQWMJAR-HXUWFJFHSA-N 2 1 399.539 0.768 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000415767047 1188160075 /nfs/dbraw/zinc/16/00/75/1188160075.db2.gz MMMMQDXPJSLAPN-IEBWSBKVSA-N 2 1 386.496 0.710 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000472893049 1188163038 /nfs/dbraw/zinc/16/30/38/1188163038.db2.gz AXKDXALNXADZMF-SFHVURJKSA-N 2 1 381.565 0.957 20 0 GCADMP CN(C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CC([NH3+])C1 ZINC000415793326 1189365189 /nfs/dbraw/zinc/36/51/89/1189365189.db2.gz UBSCXOGCBDIKHU-UHFFFAOYSA-N 2 1 399.495 0.860 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472915281 1189384226 /nfs/dbraw/zinc/38/42/26/1189384226.db2.gz RKLUVWSTIMBZMB-ROUUACIJSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCO1 ZINC000415958659 1189409930 /nfs/dbraw/zinc/40/99/30/1189409930.db2.gz XHYISHWKEPZZFE-HNNXBMFYSA-N 2 1 377.493 0.509 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416028996 1189415817 /nfs/dbraw/zinc/41/58/17/1189415817.db2.gz NICYVYYLWZNTKO-UHFFFAOYSA-N 2 1 391.516 0.814 20 0 GCADMP COCC[NH+]1CCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000416032544 1189416677 /nfs/dbraw/zinc/41/66/77/1189416677.db2.gz VVVFZUDDMHIOIR-UHFFFAOYSA-N 2 1 391.516 0.767 20 0 GCADMP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363831365 1189511976 /nfs/dbraw/zinc/51/19/76/1189511976.db2.gz YKLYYTLPUIUUIU-FQEVSTJZSA-N 2 1 394.608 0.822 20 0 GCADMP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363831365 1189511977 /nfs/dbraw/zinc/51/19/77/1189511977.db2.gz YKLYYTLPUIUUIU-FQEVSTJZSA-N 2 1 394.608 0.822 20 0 GCADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@@H](C[NH3+])C1 ZINC000582052987 1189546334 /nfs/dbraw/zinc/54/63/34/1189546334.db2.gz ZATTZLGCMLBGMQ-YQQAZPJKSA-N 2 1 393.557 0.349 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577738 1189574990 /nfs/dbraw/zinc/57/49/90/1189574990.db2.gz SBTRNYDONYDNLX-AEFFLSMTSA-N 2 1 376.501 0.318 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000416809639 1189586002 /nfs/dbraw/zinc/58/60/02/1189586002.db2.gz JIJXXDSBLGCNDY-HOTGVXAUSA-N 2 1 377.489 0.736 20 0 GCADMP [NH3+][C@@H](CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000416940789 1189596401 /nfs/dbraw/zinc/59/64/01/1189596401.db2.gz ASWLUKRLTXXDTM-SFHVURJKSA-N 2 1 383.500 0.988 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416935130 1189598396 /nfs/dbraw/zinc/59/83/96/1189598396.db2.gz AKEBZJLGQUUUKW-BBWFWOEESA-N 2 1 383.537 0.515 20 0 GCADMP C[C@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000416955529 1189599384 /nfs/dbraw/zinc/59/93/84/1189599384.db2.gz QTYWORHTCCSVLM-IBGZPJMESA-N 2 1 375.521 0.678 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963479 1189600692 /nfs/dbraw/zinc/60/06/92/1189600692.db2.gz ZGCZPEHBDFEMMB-DLBZAZTESA-N 2 1 375.521 0.805 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511592785 1189600731 /nfs/dbraw/zinc/60/07/31/1189600731.db2.gz HPUYZTHUUWRMRC-HZPDHXFCSA-N 2 1 395.529 0.119 20 0 GCADMP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000416958668 1189601829 /nfs/dbraw/zinc/60/18/29/1189601829.db2.gz UGHFKIRRGKRPDY-SJORKVTESA-N 2 1 375.521 0.676 20 0 GCADMP Cc1oc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1S(N)(=O)=O ZINC000363990393 1189604348 /nfs/dbraw/zinc/60/43/48/1189604348.db2.gz IHGVCOHPFJUWDO-CQSZACIVSA-N 2 1 384.502 0.476 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416981629 1189605437 /nfs/dbraw/zinc/60/54/37/1189605437.db2.gz VFKDNSPRROJPEA-HNNXBMFYSA-N 2 1 394.486 0.148 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000416997127 1189606671 /nfs/dbraw/zinc/60/66/71/1189606671.db2.gz VKYXVVSZANWAMH-IBGZPJMESA-N 2 1 375.517 0.612 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364000393 1189608199 /nfs/dbraw/zinc/60/81/99/1189608199.db2.gz FWNGZGZTDKIYJD-QZTJIDSGSA-N 2 1 381.565 0.813 20 0 GCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364000393 1189608202 /nfs/dbraw/zinc/60/82/02/1189608202.db2.gz FWNGZGZTDKIYJD-QZTJIDSGSA-N 2 1 381.565 0.813 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417054702 1189613149 /nfs/dbraw/zinc/61/31/49/1189613149.db2.gz VLPIMWYVNSXVQO-UHFFFAOYSA-N 2 1 378.496 0.152 20 0 GCADMP [NH3+][C@@H](CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CC1 ZINC000417155216 1189624584 /nfs/dbraw/zinc/62/45/84/1189624584.db2.gz AQMKBZSZYMGJNC-SFHVURJKSA-N 2 1 389.500 0.884 20 0 GCADMP CC(C)([NH3+])CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417166800 1189627178 /nfs/dbraw/zinc/62/71/78/1189627178.db2.gz VMMYQSFTPANAKB-UHFFFAOYSA-N 2 1 377.489 0.884 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000417168034 1189627279 /nfs/dbraw/zinc/62/72/79/1189627279.db2.gz YRZRPTCASWQAIY-GOSISDBHSA-N 2 1 389.500 0.851 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417158490 1189628113 /nfs/dbraw/zinc/62/81/13/1189628113.db2.gz FJHQJEGJRKMKNZ-OAHLLOKOSA-N 2 1 377.489 0.884 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000660171329 1189632917 /nfs/dbraw/zinc/63/29/17/1189632917.db2.gz WHBIGDUHGNKKST-KSZLIROESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000660171329 1189632921 /nfs/dbraw/zinc/63/29/21/1189632921.db2.gz WHBIGDUHGNKKST-KSZLIROESA-N 2 1 380.533 0.377 20 0 GCADMP [NH3+]CCN(CCO)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000417277887 1189637881 /nfs/dbraw/zinc/63/78/81/1189637881.db2.gz HWYPFDFMJTYEIN-UHFFFAOYSA-N 2 1 383.924 0.815 20 0 GCADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)C1 ZINC000660208402 1189658806 /nfs/dbraw/zinc/65/88/06/1189658806.db2.gz XHSIDQRXTQESGG-FQEVSTJZSA-N 2 1 378.517 0.254 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)C1 ZINC000660208402 1189658807 /nfs/dbraw/zinc/65/88/07/1189658807.db2.gz XHSIDQRXTQESGG-FQEVSTJZSA-N 2 1 378.517 0.254 20 0 GCADMP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000660207921 1189659328 /nfs/dbraw/zinc/65/93/28/1189659328.db2.gz IAGJPNRMGKYQPR-SFHVURJKSA-N 2 1 392.544 0.500 20 0 GCADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000582108067 1189677057 /nfs/dbraw/zinc/67/70/57/1189677057.db2.gz JORPBOHXXZFQBI-QZTJIDSGSA-N 2 1 378.517 0.254 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000364165365 1189687231 /nfs/dbraw/zinc/68/72/31/1189687231.db2.gz PYSKJTPJTUHALT-SJORKVTESA-N 2 1 381.521 0.045 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@H](C)C1 ZINC000417669472 1189694194 /nfs/dbraw/zinc/69/41/94/1189694194.db2.gz LIGMWOGFAWYGBJ-KURKYZTESA-N 2 1 397.564 0.620 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000417669831 1189694215 /nfs/dbraw/zinc/69/42/15/1189694215.db2.gz MYIDGXRPVZEWEV-QRVBRYPASA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000417739982 1189702285 /nfs/dbraw/zinc/70/22/85/1189702285.db2.gz ZQTZMOZGGBFCML-UONOGXRCSA-N 2 1 381.443 0.090 20 0 GCADMP COC[C@]1(CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000417742367 1189703399 /nfs/dbraw/zinc/70/33/99/1189703399.db2.gz KBPKWEBHFVYNGS-YLJYHZDGSA-N 2 1 390.532 0.660 20 0 GCADMP C[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000636535467 1189712187 /nfs/dbraw/zinc/71/21/87/1189712187.db2.gz DEHRXRNAJDJADM-IBGZPJMESA-N 2 1 375.517 0.300 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418078980 1189720291 /nfs/dbraw/zinc/72/02/91/1189720291.db2.gz XAPIXMYDYQOIAF-LJQANCHMSA-N 2 1 375.517 0.482 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000418078979 1189720384 /nfs/dbraw/zinc/72/03/84/1189720384.db2.gz XAPIXMYDYQOIAF-IBGZPJMESA-N 2 1 375.517 0.482 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000660342455 1189722158 /nfs/dbraw/zinc/72/21/58/1189722158.db2.gz BIVVHASHVTVKOF-SJLPKXTDSA-N 2 1 376.501 0.171 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418114460 1189724418 /nfs/dbraw/zinc/72/44/18/1189724418.db2.gz LXHOCZSSCRQUTO-LMMKCTJWSA-N 2 1 377.533 0.949 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418299445 1189754073 /nfs/dbraw/zinc/75/40/73/1189754073.db2.gz NVHYNEVUYPGIRV-OAQYLSRUSA-N 2 1 389.544 0.560 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000418509571 1189808575 /nfs/dbraw/zinc/80/85/75/1189808575.db2.gz GJFXLMPVPWJTKD-UHFFFAOYSA-N 2 1 377.480 0.706 20 0 GCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CNC(=O)NCC[C@H]2CCC[NH2+]2)cc[nH+]1 ZINC000418556254 1189825726 /nfs/dbraw/zinc/82/57/26/1189825726.db2.gz YDOFGFAWYLTPGW-ZNMIVQPWSA-N 2 1 379.484 0.901 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660493694 1189854456 /nfs/dbraw/zinc/85/44/56/1189854456.db2.gz FOYXSAUIMPBETI-LJQANCHMSA-N 2 1 395.592 0.805 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000636569794 1189866009 /nfs/dbraw/zinc/86/60/09/1189866009.db2.gz WNYHUUBWRLVGKG-UHFFFAOYSA-N 2 1 377.493 0.482 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582856 1189911602 /nfs/dbraw/zinc/91/16/02/1189911602.db2.gz AKSIIFQPXNKATP-ROUUACIJSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000660582856 1189911604 /nfs/dbraw/zinc/91/16/04/1189911604.db2.gz AKSIIFQPXNKATP-ROUUACIJSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000660582856 1189911607 /nfs/dbraw/zinc/91/16/07/1189911607.db2.gz AKSIIFQPXNKATP-ROUUACIJSA-N 2 1 379.549 0.995 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)CC1 ZINC000660713382 1189939362 /nfs/dbraw/zinc/93/93/62/1189939362.db2.gz RQCDUJDYDJEZSK-SJLPKXTDSA-N 2 1 392.548 0.744 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000660744002 1189945361 /nfs/dbraw/zinc/94/53/61/1189945361.db2.gz MAYWFJHCVIVMSU-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1CC(C)(C)O ZINC000660791405 1189951055 /nfs/dbraw/zinc/95/10/55/1189951055.db2.gz MJQVNXKSQIYHJS-UZLBHIALSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@H+]1CC(C)(C)O ZINC000660791405 1189951059 /nfs/dbraw/zinc/95/10/59/1189951059.db2.gz MJQVNXKSQIYHJS-UZLBHIALSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791405 1189951062 /nfs/dbraw/zinc/95/10/62/1189951062.db2.gz MJQVNXKSQIYHJS-UZLBHIALSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791405 1189951065 /nfs/dbraw/zinc/95/10/65/1189951065.db2.gz MJQVNXKSQIYHJS-UZLBHIALSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1CC(C)(C)O ZINC000660791403 1189951314 /nfs/dbraw/zinc/95/13/14/1189951314.db2.gz MJQVNXKSQIYHJS-OXJNMPFZSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@H+]1CC(C)(C)O ZINC000660791403 1189951316 /nfs/dbraw/zinc/95/13/16/1189951316.db2.gz MJQVNXKSQIYHJS-OXJNMPFZSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791403 1189951318 /nfs/dbraw/zinc/95/13/18/1189951318.db2.gz MJQVNXKSQIYHJS-OXJNMPFZSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791403 1189951322 /nfs/dbraw/zinc/95/13/22/1189951322.db2.gz MJQVNXKSQIYHJS-OXJNMPFZSA-N 2 1 380.533 0.234 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000660861483 1189958431 /nfs/dbraw/zinc/95/84/31/1189958431.db2.gz POBZGNPKITWMTO-UHFFFAOYSA-N 2 1 395.548 0.482 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864830 1189959084 /nfs/dbraw/zinc/95/90/84/1189959084.db2.gz PLGMIFXWMYCSRX-PMACEKPBSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864830 1189959086 /nfs/dbraw/zinc/95/90/86/1189959086.db2.gz PLGMIFXWMYCSRX-PMACEKPBSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@@H]1CCC[NH+](CC2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864830 1189959088 /nfs/dbraw/zinc/95/90/88/1189959088.db2.gz PLGMIFXWMYCSRX-PMACEKPBSA-N 2 1 393.576 0.814 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900242 1189963748 /nfs/dbraw/zinc/96/37/48/1189963748.db2.gz KRLYUKOEVHYLNK-YLJYHZDGSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900242 1189963749 /nfs/dbraw/zinc/96/37/49/1189963749.db2.gz KRLYUKOEVHYLNK-YLJYHZDGSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@H]4CCOC4)CC3)C2)C1 ZINC000660900242 1189963754 /nfs/dbraw/zinc/96/37/54/1189963754.db2.gz KRLYUKOEVHYLNK-YLJYHZDGSA-N 2 1 378.517 0.111 20 0 GCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000661205029 1190014170 /nfs/dbraw/zinc/01/41/70/1190014170.db2.gz VHXBTLYQSLHLEA-QGZVFWFLSA-N 2 1 380.533 0.092 20 0 GCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)C2)CC1 ZINC000661205029 1190014176 /nfs/dbraw/zinc/01/41/76/1190014176.db2.gz VHXBTLYQSLHLEA-QGZVFWFLSA-N 2 1 380.533 0.092 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC[N@@H+]1CCOC ZINC000661214235 1190016693 /nfs/dbraw/zinc/01/66/93/1190016693.db2.gz WPVMBWCQJPEIQN-ZWKOTPCHSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC[N@H+]1CCOC ZINC000661214235 1190016696 /nfs/dbraw/zinc/01/66/96/1190016696.db2.gz WPVMBWCQJPEIQN-ZWKOTPCHSA-N 2 1 382.549 0.935 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662756068 1190020110 /nfs/dbraw/zinc/02/01/10/1190020110.db2.gz HIUNWMYNQIFVOU-HNNXBMFYSA-N 3 1 384.488 0.992 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662757811 1190021477 /nfs/dbraw/zinc/02/14/77/1190021477.db2.gz OBEANMWZZIQAQZ-MRXNPFEDSA-N 2 1 386.422 0.647 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([NH+]3CCO[C@H](C)C3)CC2)C1 ZINC000411021814 1193720341 /nfs/dbraw/zinc/72/03/41/1193720341.db2.gz IJIBDTOGQWNYFX-SJLPKXTDSA-N 2 1 380.533 0.639 20 0 GCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000411021814 1193720344 /nfs/dbraw/zinc/72/03/44/1193720344.db2.gz IJIBDTOGQWNYFX-SJLPKXTDSA-N 2 1 380.533 0.639 20 0 GCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)C1 ZINC000411021814 1193720345 /nfs/dbraw/zinc/72/03/45/1193720345.db2.gz IJIBDTOGQWNYFX-SJLPKXTDSA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCCC[C@@H]1C ZINC000512665131 1193729585 /nfs/dbraw/zinc/72/95/85/1193729585.db2.gz DQSSIXKYNKTWTE-OALUTQOASA-N 2 1 383.581 0.939 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419229110 1193736472 /nfs/dbraw/zinc/73/64/72/1193736472.db2.gz NQLDKIULPKTGHK-JFRXWTBNSA-N 2 1 388.512 0.445 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000419235174 1193746375 /nfs/dbraw/zinc/74/63/75/1193746375.db2.gz MUEKDAYFIAFUIF-LIRRHRJNSA-N 2 1 376.526 0.823 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+]1CCc2sccc2C1 ZINC000419235174 1193746378 /nfs/dbraw/zinc/74/63/78/1193746378.db2.gz MUEKDAYFIAFUIF-LIRRHRJNSA-N 2 1 376.526 0.823 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664006018 1193751109 /nfs/dbraw/zinc/75/11/09/1193751109.db2.gz FUQCECRQXSUOEO-SFHVURJKSA-N 2 1 380.533 0.872 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419240226 1193754767 /nfs/dbraw/zinc/75/47/67/1193754767.db2.gz QZNRBGGFRUYDEI-RVKKMQEKSA-N 2 1 388.512 0.779 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419240226 1193754770 /nfs/dbraw/zinc/75/47/70/1193754770.db2.gz QZNRBGGFRUYDEI-RVKKMQEKSA-N 2 1 388.512 0.779 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C[NH3+] ZINC000419268296 1193776760 /nfs/dbraw/zinc/77/67/60/1193776760.db2.gz LXWWYVONOVDTKF-VQIMIIECSA-N 2 1 388.512 0.721 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419266639 1193777382 /nfs/dbraw/zinc/77/73/82/1193777382.db2.gz HHSSCMMUGVNJBR-OALUTQOASA-N 2 1 386.496 0.203 20 0 GCADMP C[NH+](C)CCC1CCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512836633 1193786473 /nfs/dbraw/zinc/78/64/73/1193786473.db2.gz AIQNTRNXPSYUJX-UHFFFAOYSA-N 2 1 383.581 0.750 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000419330026 1193822243 /nfs/dbraw/zinc/82/22/43/1193822243.db2.gz FXOCTOAUFGXQLX-QGZVFWFLSA-N 2 1 389.544 0.555 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCCC1 ZINC000419330827 1193823034 /nfs/dbraw/zinc/82/30/34/1193823034.db2.gz CGJRANVBKGZLIL-KRWDZBQOSA-N 2 1 392.500 0.118 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395944 1193825370 /nfs/dbraw/zinc/82/53/70/1193825370.db2.gz BUQCVPOYUFANBO-IRXDYDNUSA-N 2 1 383.537 0.374 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395944 1193825376 /nfs/dbraw/zinc/82/53/76/1193825376.db2.gz BUQCVPOYUFANBO-IRXDYDNUSA-N 2 1 383.537 0.374 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395944 1193825382 /nfs/dbraw/zinc/82/53/82/1193825382.db2.gz BUQCVPOYUFANBO-IRXDYDNUSA-N 2 1 383.537 0.374 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000419342952 1193833660 /nfs/dbraw/zinc/83/36/60/1193833660.db2.gz QDAVYOSBAIOGMM-LJQANCHMSA-N 2 1 387.528 0.294 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000419343054 1193836740 /nfs/dbraw/zinc/83/67/40/1193836740.db2.gz QLSKJHWJIWHPQM-UHFFFAOYSA-N 2 1 387.528 0.262 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)CCC[NH2+]C)CC1 ZINC000419345609 1193839945 /nfs/dbraw/zinc/83/99/45/1193839945.db2.gz UGPSUYAERYDENB-UHFFFAOYSA-N 2 1 389.544 0.508 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000419348184 1193844235 /nfs/dbraw/zinc/84/42/35/1193844235.db2.gz XQBVFAGDMAVQRM-VQIMIIECSA-N 2 1 387.528 0.246 20 0 GCADMP Cn1ccnc1[C@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129329 1193857356 /nfs/dbraw/zinc/85/73/56/1193857356.db2.gz FEOWXOOWELQFBC-RDJZCZTQSA-N 2 1 392.548 0.947 20 0 GCADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576415583 1193875198 /nfs/dbraw/zinc/87/51/98/1193875198.db2.gz IQAMMIPILPOCFR-RBUKOAKNSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000576415583 1193875201 /nfs/dbraw/zinc/87/52/01/1193875201.db2.gz IQAMMIPILPOCFR-RBUKOAKNSA-N 2 1 394.560 0.938 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419387733 1193897207 /nfs/dbraw/zinc/89/72/07/1193897207.db2.gz CYIVZXNIKCCBCI-IAGOWNOFSA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419387733 1193897210 /nfs/dbraw/zinc/89/72/10/1193897210.db2.gz CYIVZXNIKCCBCI-IAGOWNOFSA-N 2 1 376.526 0.574 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549926676 1193902107 /nfs/dbraw/zinc/90/21/07/1193902107.db2.gz DQVYGNTVSNYFAM-PKOBYXMFSA-N 2 1 390.528 0.850 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549926676 1193902109 /nfs/dbraw/zinc/90/21/09/1193902109.db2.gz DQVYGNTVSNYFAM-PKOBYXMFSA-N 2 1 390.528 0.850 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883627 1193929941 /nfs/dbraw/zinc/92/99/41/1193929941.db2.gz UVKCOKUEXGKARY-OALUTQOASA-N 2 1 388.512 0.754 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000433824460 1193951396 /nfs/dbraw/zinc/95/13/96/1193951396.db2.gz UYEBHTVJHNTBHO-IBGZPJMESA-N 2 1 380.581 0.432 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000549937082 1193954696 /nfs/dbraw/zinc/95/46/96/1193954696.db2.gz RVGUDZUKCOBSOY-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491756 1193956182 /nfs/dbraw/zinc/95/61/82/1193956182.db2.gz JHFPBTBMOWQALY-HOTGVXAUSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531621 1193961129 /nfs/dbraw/zinc/96/11/29/1193961129.db2.gz WQYWLFMKHWAVHW-QFBILLFUSA-N 2 1 398.573 0.941 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531621 1193961131 /nfs/dbraw/zinc/96/11/31/1193961131.db2.gz WQYWLFMKHWAVHW-QFBILLFUSA-N 2 1 398.573 0.941 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000263108300 1193961956 /nfs/dbraw/zinc/96/19/56/1193961956.db2.gz DHAPBFQQVQIXLK-BEFAXECRSA-N 2 1 376.501 0.623 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000263108300 1193961957 /nfs/dbraw/zinc/96/19/57/1193961957.db2.gz DHAPBFQQVQIXLK-BEFAXECRSA-N 2 1 376.501 0.623 20 0 GCADMP O=C(NCC[N@@H+]1CC=CCC1)[C@H]1CC[C@@H](C(=O)NCC[NH+]2CC=CCC2)O1 ZINC000280372732 1193989878 /nfs/dbraw/zinc/98/98/78/1193989878.db2.gz ZBKWGPZXKAJJMT-HDICACEKSA-N 2 1 376.501 0.290 20 0 GCADMP O=C(NCC[NH+]1CC=CCC1)[C@H]1CC[C@@H](C(=O)NCC[N@H+]2CC=CCC2)O1 ZINC000280372732 1193989880 /nfs/dbraw/zinc/98/98/80/1193989880.db2.gz ZBKWGPZXKAJJMT-HDICACEKSA-N 2 1 376.501 0.290 20 0 GCADMP O=C(NCC[NH+]1CC=CCC1)[C@H]1CC[C@@H](C(=O)NCC[N@@H+]2CC=CCC2)O1 ZINC000280372732 1193989884 /nfs/dbraw/zinc/98/98/84/1193989884.db2.gz ZBKWGPZXKAJJMT-HDICACEKSA-N 2 1 376.501 0.290 20 0 GCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400893 1194020240 /nfs/dbraw/zinc/02/02/40/1194020240.db2.gz NXMYQQSCHPNUBX-SJLPKXTDSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400893 1194020243 /nfs/dbraw/zinc/02/02/43/1194020243.db2.gz NXMYQQSCHPNUBX-SJLPKXTDSA-N 2 1 390.553 0.836 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419403415 1194021055 /nfs/dbraw/zinc/02/10/55/1194021055.db2.gz DOVMWQUPJMBQCE-QILLFSRXSA-N 2 1 376.476 0.927 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)CCN1 ZINC000419404527 1194021153 /nfs/dbraw/zinc/02/11/53/1194021153.db2.gz TXMQTSLOBPGRDR-NVXWUHKLSA-N 2 1 376.526 0.541 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419404595 1194021193 /nfs/dbraw/zinc/02/11/93/1194021193.db2.gz UBYQXNMAHTYESU-KBAYOESNSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[C@H]1[NH3+] ZINC000419404595 1194021196 /nfs/dbraw/zinc/02/11/96/1194021196.db2.gz UBYQXNMAHTYESU-KBAYOESNSA-N 2 1 390.553 0.916 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419556 1194022333 /nfs/dbraw/zinc/02/23/33/1194022333.db2.gz SAJZWNHLIIDANB-BHIYHBOVSA-N 2 1 390.528 0.896 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419556 1194022339 /nfs/dbraw/zinc/02/23/39/1194022339.db2.gz SAJZWNHLIIDANB-BHIYHBOVSA-N 2 1 390.528 0.896 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419315 1194022381 /nfs/dbraw/zinc/02/23/81/1194022381.db2.gz JEDDCUAGGPIJJD-MAUKXSAKSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419632 1194022453 /nfs/dbraw/zinc/02/24/53/1194022453.db2.gz SDRAOHSVLHXIAY-GBESFXJTSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419632 1194022456 /nfs/dbraw/zinc/02/24/56/1194022456.db2.gz SDRAOHSVLHXIAY-GBESFXJTSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423770 1194024696 /nfs/dbraw/zinc/02/46/96/1194024696.db2.gz YZZLDLHJBIVNSW-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423770 1194024701 /nfs/dbraw/zinc/02/47/01/1194024701.db2.gz YZZLDLHJBIVNSW-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423602 1194025075 /nfs/dbraw/zinc/02/50/75/1194025075.db2.gz YRFGZYFTBFQXCQ-QYZOEREBSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423602 1194025081 /nfs/dbraw/zinc/02/50/81/1194025081.db2.gz YRFGZYFTBFQXCQ-QYZOEREBSA-N 2 1 388.512 0.732 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424768 1194025103 /nfs/dbraw/zinc/02/51/03/1194025103.db2.gz URIJZWRCRNDJAS-RBUKOAKNSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424768 1194025108 /nfs/dbraw/zinc/02/51/08/1194025108.db2.gz URIJZWRCRNDJAS-RBUKOAKNSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424768 1194025112 /nfs/dbraw/zinc/02/51/12/1194025112.db2.gz URIJZWRCRNDJAS-RBUKOAKNSA-N 2 1 387.528 0.431 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423116 1194025520 /nfs/dbraw/zinc/02/55/20/1194025520.db2.gz YCUPMASXZXBUCW-RYQLBKOJSA-N 2 1 376.501 0.493 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423116 1194025525 /nfs/dbraw/zinc/02/55/25/1194025525.db2.gz YCUPMASXZXBUCW-RYQLBKOJSA-N 2 1 376.501 0.493 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425552 1194026021 /nfs/dbraw/zinc/02/60/21/1194026021.db2.gz VZEPGKJABWPLMG-RTBURBONSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419425552 1194026026 /nfs/dbraw/zinc/02/60/26/1194026026.db2.gz VZEPGKJABWPLMG-RTBURBONSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419425552 1194026032 /nfs/dbraw/zinc/02/60/32/1194026032.db2.gz VZEPGKJABWPLMG-RTBURBONSA-N 2 1 389.544 0.581 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419425425 1194026215 /nfs/dbraw/zinc/02/62/15/1194026215.db2.gz VQEYACBAJLTJIX-QGZVFWFLSA-N 2 1 375.517 0.164 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427513 1194026269 /nfs/dbraw/zinc/02/62/69/1194026269.db2.gz ZBSIBXOAFLWOPK-WMZOPIPTSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419427513 1194026273 /nfs/dbraw/zinc/02/62/73/1194026273.db2.gz ZBSIBXOAFLWOPK-WMZOPIPTSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419427513 1194026278 /nfs/dbraw/zinc/02/62/78/1194026278.db2.gz ZBSIBXOAFLWOPK-WMZOPIPTSA-N 2 1 375.517 0.287 20 0 GCADMP CC(C)([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419425592 1194026794 /nfs/dbraw/zinc/02/67/94/1194026794.db2.gz WCSMDAUEDHJLKP-UHFFFAOYSA-N 2 1 375.517 0.164 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427138 1194027411 /nfs/dbraw/zinc/02/74/11/1194027411.db2.gz YOICSTYSWLJREV-AEFFLSMTSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419427138 1194027413 /nfs/dbraw/zinc/02/74/13/1194027413.db2.gz YOICSTYSWLJREV-AEFFLSMTSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419427138 1194027417 /nfs/dbraw/zinc/02/74/17/1194027417.db2.gz YOICSTYSWLJREV-AEFFLSMTSA-N 2 1 375.517 0.192 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427176 1194027741 /nfs/dbraw/zinc/02/77/41/1194027741.db2.gz YTUZSNOGOCLUBF-MOPGFXCFSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427176 1194027744 /nfs/dbraw/zinc/02/77/44/1194027744.db2.gz YTUZSNOGOCLUBF-MOPGFXCFSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427176 1194027747 /nfs/dbraw/zinc/02/77/47/1194027747.db2.gz YTUZSNOGOCLUBF-MOPGFXCFSA-N 2 1 387.528 0.335 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409197 1194028595 /nfs/dbraw/zinc/02/85/95/1194028595.db2.gz DUCOGKQXQVPIIQ-QYZOEREBSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409197 1194028598 /nfs/dbraw/zinc/02/85/98/1194028598.db2.gz DUCOGKQXQVPIIQ-QYZOEREBSA-N 2 1 388.512 0.732 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419411404 1194029674 /nfs/dbraw/zinc/02/96/74/1194029674.db2.gz BNHMPGPNGLRHNN-SFHVURJKSA-N 2 1 375.517 0.337 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000419411404 1194029682 /nfs/dbraw/zinc/02/96/82/1194029682.db2.gz BNHMPGPNGLRHNN-SFHVURJKSA-N 2 1 375.517 0.337 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411948 1194030224 /nfs/dbraw/zinc/03/02/24/1194030224.db2.gz CJHGETAAOQRYBA-MOPGFXCFSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411948 1194030230 /nfs/dbraw/zinc/03/02/30/1194030230.db2.gz CJHGETAAOQRYBA-MOPGFXCFSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411948 1194030236 /nfs/dbraw/zinc/03/02/36/1194030236.db2.gz CJHGETAAOQRYBA-MOPGFXCFSA-N 2 1 387.528 0.335 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419455601 1194033142 /nfs/dbraw/zinc/03/31/42/1194033142.db2.gz XJOZGAQGCOPPOU-QZTJIDSGSA-N 2 1 387.528 0.381 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419451846 1194037294 /nfs/dbraw/zinc/03/72/94/1194037294.db2.gz NZVGOGIDJNMAFE-GUDVDZBRSA-N 2 1 399.539 0.381 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419453846 1194037412 /nfs/dbraw/zinc/03/74/12/1194037412.db2.gz SJYBIJDPQOCONV-UTKZUKDTSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419454900 1194038200 /nfs/dbraw/zinc/03/82/00/1194038200.db2.gz UZQDIWBIUUEGSR-QGZVFWFLSA-N 2 1 387.528 0.572 20 0 GCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419475678 1194039197 /nfs/dbraw/zinc/03/91/97/1194039197.db2.gz OJPYAKDHWMTWHP-QRQLOZEOSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419480882 1194040363 /nfs/dbraw/zinc/04/03/63/1194040363.db2.gz NSUWMOALMNTTKX-DLBZAZTESA-N 2 1 395.548 0.071 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504437 1194046743 /nfs/dbraw/zinc/04/67/43/1194046743.db2.gz JRQIWVQKVBYVIH-KRWDZBQOSA-N 2 1 375.517 0.381 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505960 1194046753 /nfs/dbraw/zinc/04/67/53/1194046753.db2.gz MJCDEPXXORVOHF-KURKYZTESA-N 2 1 387.528 0.509 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504432 1194046936 /nfs/dbraw/zinc/04/69/36/1194046936.db2.gz JQKDJIAFSMGYFV-GOSISDBHSA-N 2 1 399.539 0.739 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506430 1194047595 /nfs/dbraw/zinc/04/75/95/1194047595.db2.gz NLMCRIFJZWWDBB-KRWDZBQOSA-N 2 1 375.517 0.429 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000419509546 1194048233 /nfs/dbraw/zinc/04/82/33/1194048233.db2.gz TZXOWMLZOGCDPZ-UHFFFAOYSA-N 2 1 392.500 0.210 20 0 GCADMP CC(C)[NH+]1CCN(CCC[NH+]2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1 ZINC000501052119 1194048786 /nfs/dbraw/zinc/04/87/86/1194048786.db2.gz MIUWKKGPJOAZNY-UHFFFAOYSA-N 2 1 375.517 0.961 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C[NH3+])C1 ZINC000419530682 1194049803 /nfs/dbraw/zinc/04/98/03/1194049803.db2.gz JWUCVUPBEMHUEJ-QXCFHYIPSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510077 1194050406 /nfs/dbraw/zinc/05/04/06/1194050406.db2.gz SWLRJJDSHBVQKX-QZTJIDSGSA-N 2 1 387.528 0.429 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512240 1194050982 /nfs/dbraw/zinc/05/09/82/1194050982.db2.gz WUZNWTIROOMCCQ-ROUUACIJSA-N 2 1 389.544 0.803 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513307 1194051122 /nfs/dbraw/zinc/05/11/22/1194051122.db2.gz ZDDGJRDADJIPAO-QRVBRYPASA-N 2 1 399.539 0.381 20 0 GCADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000419514683 1194051976 /nfs/dbraw/zinc/05/19/76/1194051976.db2.gz PJKCCESUGOMXCA-HOTGVXAUSA-N 2 1 379.505 0.619 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419518911 1194052452 /nfs/dbraw/zinc/05/24/52/1194052452.db2.gz ZLVYHENDMIOCSR-CVEARBPZSA-N 2 1 378.473 0.417 20 0 GCADMP CCC[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1CCOC ZINC000501079364 1194052901 /nfs/dbraw/zinc/05/29/01/1194052901.db2.gz ZSEXQUBWBRKVTG-MSOLQXFVSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079364 1194052907 /nfs/dbraw/zinc/05/29/07/1194052907.db2.gz ZSEXQUBWBRKVTG-MSOLQXFVSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079364 1194052911 /nfs/dbraw/zinc/05/29/11/1194052911.db2.gz ZSEXQUBWBRKVTG-MSOLQXFVSA-N 2 1 397.564 0.716 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419535965 1194054764 /nfs/dbraw/zinc/05/47/64/1194054764.db2.gz LQEHFIGKSZRNMU-WMZOPIPTSA-N 2 1 376.501 0.619 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000419560704 1194060743 /nfs/dbraw/zinc/06/07/43/1194060743.db2.gz RKRXSVDVYOOEEK-FZDIXFNVSA-N 2 1 388.512 0.856 20 0 GCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000419585576 1194065192 /nfs/dbraw/zinc/06/51/92/1194065192.db2.gz GDMYHVBEFLHKOO-IXDOHACOSA-N 2 1 390.528 0.775 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419594718 1194067548 /nfs/dbraw/zinc/06/75/48/1194067548.db2.gz UYPWPQDQIQHJJZ-KURKYZTESA-N 2 1 380.533 0.722 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419595851 1194068135 /nfs/dbraw/zinc/06/81/35/1194068135.db2.gz XKMWBJGADKRYNQ-FGTMMUONSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C(=O)N(C)CC[NH3+])cc2)C[C@H]1C ZINC000419601566 1194069729 /nfs/dbraw/zinc/06/97/29/1194069729.db2.gz WTPMZKNZKHELRD-CALCHBBNSA-N 2 1 390.528 0.729 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419650976 1194076868 /nfs/dbraw/zinc/07/68/68/1194076868.db2.gz DDOQJCRTIHIWKX-NEWSRXKRSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419663779 1194077660 /nfs/dbraw/zinc/07/76/60/1194077660.db2.gz QPWLLHDCHPOJOX-HKUYNNGSSA-N 2 1 387.528 0.177 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419665442 1194077923 /nfs/dbraw/zinc/07/79/23/1194077923.db2.gz OHVZSUDDJHFPIH-QGZVFWFLSA-N 2 1 395.548 0.034 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419689806 1194085532 /nfs/dbraw/zinc/08/55/32/1194085532.db2.gz BBOGLTSCQXMLGO-NXHRZFHOSA-N 2 1 390.528 0.347 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCC1 ZINC000419697675 1194087421 /nfs/dbraw/zinc/08/74/21/1194087421.db2.gz QXHIDQGQHMUXBF-ROUUACIJSA-N 2 1 380.533 0.722 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000419697673 1194087683 /nfs/dbraw/zinc/08/76/83/1194087683.db2.gz QXHIDQGQHMUXBF-MSOLQXFVSA-N 2 1 380.533 0.722 20 0 GCADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419735403 1194088048 /nfs/dbraw/zinc/08/80/48/1194088048.db2.gz QHFZCNLKRQAUKZ-QRVBRYPASA-N 2 1 392.544 0.864 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000419727831 1194088856 /nfs/dbraw/zinc/08/88/56/1194088856.db2.gz XBJNLLNLISBWEH-QGZVFWFLSA-N 2 1 380.439 0.899 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000419762588 1194101581 /nfs/dbraw/zinc/10/15/81/1194101581.db2.gz MEULSCQMGOOTEN-IBGZPJMESA-N 2 1 387.528 0.035 20 0 GCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419801657 1194106250 /nfs/dbraw/zinc/10/62/50/1194106250.db2.gz BJEINSNFRLCFJO-HZPDHXFCSA-N 2 1 378.473 0.418 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000419815248 1194112986 /nfs/dbraw/zinc/11/29/86/1194112986.db2.gz JOFACCRLUOLJBQ-HOTGVXAUSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC([NH3+])CC2)C[C@@H](C)O1 ZINC000419815249 1194113084 /nfs/dbraw/zinc/11/30/84/1194113084.db2.gz JOFACCRLUOLJBQ-HZPDHXFCSA-N 2 1 388.512 0.862 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419848188 1194113590 /nfs/dbraw/zinc/11/35/90/1194113590.db2.gz UCLPRFMNSFPILT-MSOLQXFVSA-N 3 1 381.565 0.508 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419830897 1194115923 /nfs/dbraw/zinc/11/59/23/1194115923.db2.gz UKXSFYZEDVNWGV-GVDBMIGSSA-N 2 1 390.528 0.884 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000419839858 1194118206 /nfs/dbraw/zinc/11/82/06/1194118206.db2.gz CDPNCTSMFYOHTF-UHFFFAOYSA-N 2 1 388.512 0.988 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000419839858 1194118209 /nfs/dbraw/zinc/11/82/09/1194118209.db2.gz CDPNCTSMFYOHTF-UHFFFAOYSA-N 2 1 388.512 0.988 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419839906 1194118698 /nfs/dbraw/zinc/11/86/98/1194118698.db2.gz YVUITUOTHQFIIP-WMZOPIPTSA-N 2 1 375.517 0.192 20 0 GCADMP O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000419843518 1194119809 /nfs/dbraw/zinc/11/98/09/1194119809.db2.gz MVVHBKLIXWGPEN-GOSISDBHSA-N 2 1 389.500 0.001 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861057 1194124139 /nfs/dbraw/zinc/12/41/39/1194124139.db2.gz DBTYTRMXGWTEAS-QZTJIDSGSA-N 2 1 387.528 0.129 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861057 1194124143 /nfs/dbraw/zinc/12/41/43/1194124143.db2.gz DBTYTRMXGWTEAS-QZTJIDSGSA-N 2 1 387.528 0.129 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000419863096 1194125093 /nfs/dbraw/zinc/12/50/93/1194125093.db2.gz HKXIAORFTMWNLG-KRWDZBQOSA-N 2 1 391.516 0.334 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863718 1194125777 /nfs/dbraw/zinc/12/57/77/1194125777.db2.gz IBGFZKPUSUGMKU-PKOBYXMFSA-N 2 1 387.528 0.035 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419863471 1194125835 /nfs/dbraw/zinc/12/58/35/1194125835.db2.gz ROMGTZYXIPPTKZ-CQSZACIVSA-N 2 1 394.438 0.215 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868190 1194126851 /nfs/dbraw/zinc/12/68/51/1194126851.db2.gz LRTNHMKNRHDJCV-QZTJIDSGSA-N 2 1 379.549 0.121 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419869734 1194127446 /nfs/dbraw/zinc/12/74/46/1194127446.db2.gz JQOHXHJCEJYMKQ-NZSAHSFTSA-N 2 1 388.512 0.857 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419869729 1194127487 /nfs/dbraw/zinc/12/74/87/1194127487.db2.gz JQOHXHJCEJYMKQ-NEWSRXKRSA-N 2 1 388.512 0.857 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419874512 1194129492 /nfs/dbraw/zinc/12/94/92/1194129492.db2.gz ZUEUGJOLNSCQLH-SCTDSRPQSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877057 1194130063 /nfs/dbraw/zinc/13/00/63/1194130063.db2.gz WLWLYOPRHJWJEO-RBUKOAKNSA-N 2 1 393.576 0.511 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419878243 1194130285 /nfs/dbraw/zinc/13/02/85/1194130285.db2.gz FZPYTLOIQQMANF-SFNKJDCFSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419886115 1194133120 /nfs/dbraw/zinc/13/31/20/1194133120.db2.gz KLHMQXKFLSMTPT-ZSYWTGECSA-N 2 1 393.576 0.508 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000419889939 1194134080 /nfs/dbraw/zinc/13/40/80/1194134080.db2.gz LLPQWIYNHUYXQY-GOSISDBHSA-N 2 1 389.500 0.001 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419896982 1194135888 /nfs/dbraw/zinc/13/58/88/1194135888.db2.gz VEJHSLSZXOOMQJ-MSOLQXFVSA-N 2 1 381.565 0.508 20 0 GCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419920685 1194139313 /nfs/dbraw/zinc/13/93/13/1194139313.db2.gz WYAVHURZWSBRJZ-CQSZACIVSA-N 2 1 394.438 0.215 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000419908124 1194141185 /nfs/dbraw/zinc/14/11/85/1194141185.db2.gz YFESZVYUAHEDPP-OALUTQOASA-N 2 1 388.512 0.810 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419942563 1194146425 /nfs/dbraw/zinc/14/64/25/1194146425.db2.gz GCFRTUGJMKJBHD-UZLBHIALSA-N 2 1 376.501 0.054 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419984793 1194147562 /nfs/dbraw/zinc/14/75/62/1194147562.db2.gz AKHZPKBJFFHNET-KRWDZBQOSA-N 2 1 375.517 0.116 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419960516 1194148114 /nfs/dbraw/zinc/14/81/14/1194148114.db2.gz WGAFXBDYQDYCJI-FUHWJXTLSA-N 2 1 375.517 0.866 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419973241 1194150176 /nfs/dbraw/zinc/15/01/76/1194150176.db2.gz HKFCZDHZCGBDHC-WDSOQIARSA-N 3 1 395.592 0.754 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419976999 1194151145 /nfs/dbraw/zinc/15/11/45/1194151145.db2.gz MGFVQLQPYBSUJM-KSZLIROESA-N 2 1 394.560 0.840 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419981257 1194151932 /nfs/dbraw/zinc/15/19/32/1194151932.db2.gz TWTFHOTZLGDALU-NQIIRXRSSA-N 2 1 390.528 0.571 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419980589 1194151977 /nfs/dbraw/zinc/15/19/77/1194151977.db2.gz RANAVTOFHPABOK-QZTJIDSGSA-N 2 1 375.517 0.994 20 0 GCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419988601 1194153473 /nfs/dbraw/zinc/15/34/73/1194153473.db2.gz ZTPHAQNYNJUQJD-ROUUACIJSA-N 2 1 379.549 0.121 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419996065 1194154627 /nfs/dbraw/zinc/15/46/27/1194154627.db2.gz MYAGYUYLVRQAEV-KBAYOESNSA-N 2 1 381.565 0.636 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419996937 1194154923 /nfs/dbraw/zinc/15/49/23/1194154923.db2.gz JKPUCKXNUWBKAL-CEXWTWQISA-N 2 1 393.576 0.509 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC[N@@H+]1CCOC ZINC000420034214 1194161130 /nfs/dbraw/zinc/16/11/30/1194161130.db2.gz JEAJMMLAWVQQKA-ARFHVFGLSA-N 2 1 384.521 0.175 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC[N@H+]1CCOC ZINC000420034214 1194161133 /nfs/dbraw/zinc/16/11/33/1194161133.db2.gz JEAJMMLAWVQQKA-ARFHVFGLSA-N 2 1 384.521 0.175 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)c1 ZINC000420012536 1194161957 /nfs/dbraw/zinc/16/19/57/1194161957.db2.gz BAORRPIPYUKPES-LSDHHAIUSA-N 2 1 375.473 0.268 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019559 1194163326 /nfs/dbraw/zinc/16/33/26/1194163326.db2.gz RFJGANLNJUXOHW-QRVBRYPASA-N 2 1 395.592 0.882 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000420044800 1194168133 /nfs/dbraw/zinc/16/81/33/1194168133.db2.gz UEUKTPDXDQTJIC-ZFWWWQNUSA-N 2 1 377.489 0.430 20 0 GCADMP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420046373 1194168186 /nfs/dbraw/zinc/16/81/86/1194168186.db2.gz AAOGJNJDFBJKGB-IRXDYDNUSA-N 2 1 381.565 0.636 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000420055530 1194170801 /nfs/dbraw/zinc/17/08/01/1194170801.db2.gz AAEHHJPNXDDFSK-XYVMCAHJSA-N 2 1 380.533 0.720 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420055521 1194170967 /nfs/dbraw/zinc/17/09/67/1194170967.db2.gz AAEHHJPNXDDFSK-CIRFHOKZSA-N 2 1 380.533 0.720 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000420055521 1194170971 /nfs/dbraw/zinc/17/09/71/1194170971.db2.gz AAEHHJPNXDDFSK-CIRFHOKZSA-N 2 1 380.533 0.720 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420111497 1194181254 /nfs/dbraw/zinc/18/12/54/1194181254.db2.gz CSZDCFCTOYINLA-FUHWJXTLSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@]1(CNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCC[NH2+]C1 ZINC000420096521 1194183688 /nfs/dbraw/zinc/18/36/88/1194183688.db2.gz IRXIKFLRLJGTDX-IBGZPJMESA-N 2 1 378.542 0.941 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420125441 1194188974 /nfs/dbraw/zinc/18/89/74/1194188974.db2.gz PVOHTFHNXLIBQF-RXVVDRJESA-N 2 1 390.528 0.716 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420142152 1194192401 /nfs/dbraw/zinc/19/24/01/1194192401.db2.gz ZVUSTYJQBBCRNQ-WMZOPIPTSA-N 2 1 388.512 0.986 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420142152 1194192402 /nfs/dbraw/zinc/19/24/02/1194192402.db2.gz ZVUSTYJQBBCRNQ-WMZOPIPTSA-N 2 1 388.512 0.986 20 0 GCADMP CCN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420178890 1194195901 /nfs/dbraw/zinc/19/59/01/1194195901.db2.gz BFRHEMUAPOTNBC-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP CCN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420178891 1194196105 /nfs/dbraw/zinc/19/61/05/1194196105.db2.gz BFRHEMUAPOTNBC-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420183093 1194197961 /nfs/dbraw/zinc/19/79/61/1194197961.db2.gz LETIATVLJOFSBG-DLBZAZTESA-N 2 1 376.501 0.460 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420183093 1194197963 /nfs/dbraw/zinc/19/79/63/1194197963.db2.gz LETIATVLJOFSBG-DLBZAZTESA-N 2 1 376.501 0.460 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420184726 1194198441 /nfs/dbraw/zinc/19/84/41/1194198441.db2.gz BBBGCWNWLDVBII-ROUUACIJSA-N 2 1 387.528 0.511 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420184714 1194198463 /nfs/dbraw/zinc/19/84/63/1194198463.db2.gz BAQYTMTTZRHGLT-MSOLQXFVSA-N 2 1 382.549 0.827 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420165463 1194198926 /nfs/dbraw/zinc/19/89/26/1194198926.db2.gz NEWZTHJCELIXJA-INIZCTEOSA-N 2 1 382.549 0.698 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000420164256 1194199187 /nfs/dbraw/zinc/19/91/87/1194199187.db2.gz LPUCAKYLWNUELY-UHFFFAOYSA-N 2 1 399.539 0.693 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000420169552 1194200342 /nfs/dbraw/zinc/20/03/42/1194200342.db2.gz QNLALABTEUHKKH-KRWDZBQOSA-N 2 1 376.501 0.462 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171516 1194200381 /nfs/dbraw/zinc/20/03/81/1194200381.db2.gz UBUNXGBJBRMKAN-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420171516 1194200384 /nfs/dbraw/zinc/20/03/84/1194200384.db2.gz UBUNXGBJBRMKAN-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420186772 1194201128 /nfs/dbraw/zinc/20/11/28/1194201128.db2.gz QMBMQMKZCFTPIU-QGZVFWFLSA-N 2 1 376.501 0.462 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420186770 1194201382 /nfs/dbraw/zinc/20/13/82/1194201382.db2.gz QMBMQMKZCFTPIU-KRWDZBQOSA-N 2 1 376.501 0.462 20 0 GCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420198988 1194202369 /nfs/dbraw/zinc/20/23/69/1194202369.db2.gz MYRIHKUXCMUVJN-MOPGFXCFSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420203819 1194204717 /nfs/dbraw/zinc/20/47/17/1194204717.db2.gz ZWCSNVMPXHZZRZ-GOSISDBHSA-N 2 1 398.548 0.078 20 0 GCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207233 1194205219 /nfs/dbraw/zinc/20/52/19/1194205219.db2.gz TWMBLNAJHBIYHP-NEWSRXKRSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207234 1194205268 /nfs/dbraw/zinc/20/52/68/1194205268.db2.gz TWMBLNAJHBIYHP-NZSAHSFTSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420188580 1194205827 /nfs/dbraw/zinc/20/58/27/1194205827.db2.gz NHMMFZMFCZAXQX-MJGOQNOKSA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420188579 1194205867 /nfs/dbraw/zinc/20/58/67/1194205867.db2.gz NHMMFZMFCZAXQX-IEBWSBKVSA-N 2 1 388.512 0.604 20 0 GCADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000501593356 1194205877 /nfs/dbraw/zinc/20/58/77/1194205877.db2.gz GANHHYXZWLXWOI-QGZVFWFLSA-N 2 1 378.517 0.158 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420189543 1194206441 /nfs/dbraw/zinc/20/64/41/1194206441.db2.gz UZHJLXGYJXNVCK-GOSISDBHSA-N 2 1 376.501 0.462 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501592810 1194206746 /nfs/dbraw/zinc/20/67/46/1194206746.db2.gz XBTJAWGLNLWVDD-UHOSZYNNSA-N 2 1 392.544 0.689 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420194303 1194208394 /nfs/dbraw/zinc/20/83/94/1194208394.db2.gz JRTSRYMVSDUAPW-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420194303 1194208397 /nfs/dbraw/zinc/20/83/97/1194208397.db2.gz JRTSRYMVSDUAPW-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CCOC ZINC000501599282 1194208684 /nfs/dbraw/zinc/20/86/84/1194208684.db2.gz QDVRSBGTACGQTA-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CCOC ZINC000501599282 1194208687 /nfs/dbraw/zinc/20/86/87/1194208687.db2.gz QDVRSBGTACGQTA-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599282 1194208689 /nfs/dbraw/zinc/20/86/89/1194208689.db2.gz QDVRSBGTACGQTA-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599282 1194208691 /nfs/dbraw/zinc/20/86/91/1194208691.db2.gz QDVRSBGTACGQTA-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622157 1194209412 /nfs/dbraw/zinc/20/94/12/1194209412.db2.gz IIERKONUVIOOBA-SCTDSRPQSA-N 2 1 394.560 0.983 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622157 1194209416 /nfs/dbraw/zinc/20/94/16/1194209416.db2.gz IIERKONUVIOOBA-SCTDSRPQSA-N 2 1 394.560 0.983 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622157 1194209419 /nfs/dbraw/zinc/20/94/19/1194209419.db2.gz IIERKONUVIOOBA-SCTDSRPQSA-N 2 1 394.560 0.983 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420222853 1194210674 /nfs/dbraw/zinc/21/06/74/1194210674.db2.gz TZMKSTNCLVRTIQ-SQNIBIBYSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611529 1194211722 /nfs/dbraw/zinc/21/17/22/1194211722.db2.gz IYFNHWZIOLKOEA-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611529 1194211723 /nfs/dbraw/zinc/21/17/23/1194211723.db2.gz IYFNHWZIOLKOEA-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501611529 1194211726 /nfs/dbraw/zinc/21/17/26/1194211726.db2.gz IYFNHWZIOLKOEA-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501611529 1194211728 /nfs/dbraw/zinc/21/17/28/1194211728.db2.gz IYFNHWZIOLKOEA-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501621625 1194215515 /nfs/dbraw/zinc/21/55/15/1194215515.db2.gz GXMISLJLJDYDRW-KRWDZBQOSA-N 2 1 380.533 0.282 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501621625 1194215517 /nfs/dbraw/zinc/21/55/17/1194215517.db2.gz GXMISLJLJDYDRW-KRWDZBQOSA-N 2 1 380.533 0.282 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635164 1194216206 /nfs/dbraw/zinc/21/62/06/1194216206.db2.gz FTUNWJAIZOCCSJ-IRXDYDNUSA-N 2 1 380.533 0.404 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635163 1194216224 /nfs/dbraw/zinc/21/62/24/1194216224.db2.gz FTUNWJAIZOCCSJ-IAGOWNOFSA-N 2 1 380.533 0.404 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000501639681 1194216756 /nfs/dbraw/zinc/21/67/56/1194216756.db2.gz OBENJSRNZQGXIG-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000501639681 1194216758 /nfs/dbraw/zinc/21/67/58/1194216758.db2.gz OBENJSRNZQGXIG-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639681 1194216764 /nfs/dbraw/zinc/21/67/64/1194216764.db2.gz OBENJSRNZQGXIG-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639681 1194216768 /nfs/dbraw/zinc/21/67/68/1194216768.db2.gz OBENJSRNZQGXIG-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501648606 1194219096 /nfs/dbraw/zinc/21/90/96/1194219096.db2.gz YKDORIXNMGDQGA-KURKYZTESA-N 2 1 394.560 0.840 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501648607 1194219385 /nfs/dbraw/zinc/21/93/85/1194219385.db2.gz YKDORIXNMGDQGA-KZNAEPCWSA-N 2 1 394.560 0.840 20 0 GCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346432 1194222418 /nfs/dbraw/zinc/22/24/18/1194222418.db2.gz CTPYEFPVNWVNQF-JKSUJKDBSA-N 2 1 376.501 0.861 20 0 GCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346432 1194222421 /nfs/dbraw/zinc/22/24/21/1194222421.db2.gz CTPYEFPVNWVNQF-JKSUJKDBSA-N 2 1 376.501 0.861 20 0 GCADMP C[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420408557 1194229273 /nfs/dbraw/zinc/22/92/73/1194229273.db2.gz PMRTTYNVNLWUAA-GOEBONIOSA-N 2 1 382.530 0.300 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000421127488 1194297632 /nfs/dbraw/zinc/29/76/32/1194297632.db2.gz KSHASNZHLGYNSO-NUWOQIAWSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000421127489 1194298011 /nfs/dbraw/zinc/29/80/11/1194298011.db2.gz KSHASNZHLGYNSO-RYTJFDOTSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000421127489 1194298014 /nfs/dbraw/zinc/29/80/14/1194298014.db2.gz KSHASNZHLGYNSO-RYTJFDOTSA-N 2 1 382.549 0.979 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249663 1194316957 /nfs/dbraw/zinc/31/69/57/1194316957.db2.gz MLLFZNRAXALBOB-QZTJIDSGSA-N 2 1 381.565 0.316 20 0 GCADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549955824 1194345099 /nfs/dbraw/zinc/34/50/99/1194345099.db2.gz CYZNQVLYCMYSAE-QGZVFWFLSA-N 2 1 392.544 0.738 20 0 GCADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549955824 1194345102 /nfs/dbraw/zinc/34/51/02/1194345102.db2.gz CYZNQVLYCMYSAE-QGZVFWFLSA-N 2 1 392.544 0.738 20 0 GCADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000414535538 1194351252 /nfs/dbraw/zinc/35/12/52/1194351252.db2.gz YCTXEWHTTBLVLS-IEBWSBKVSA-N 2 1 386.496 0.711 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000414535538 1194351256 /nfs/dbraw/zinc/35/12/56/1194351256.db2.gz YCTXEWHTTBLVLS-IEBWSBKVSA-N 2 1 386.496 0.711 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000652727175 1194357668 /nfs/dbraw/zinc/35/76/68/1194357668.db2.gz FEMSWEAGHCHDEB-KSZLIROESA-N 2 1 378.517 0.286 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089926 1194388582 /nfs/dbraw/zinc/38/85/82/1194388582.db2.gz UZXIWOYMYBXZTN-ROUUACIJSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089926 1194388587 /nfs/dbraw/zinc/38/85/87/1194388587.db2.gz UZXIWOYMYBXZTN-ROUUACIJSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089926 1194388590 /nfs/dbraw/zinc/38/85/90/1194388590.db2.gz UZXIWOYMYBXZTN-ROUUACIJSA-N 2 1 381.565 0.317 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089928 1194388763 /nfs/dbraw/zinc/38/87/63/1194388763.db2.gz UZXIWOYMYBXZTN-ZWKOTPCHSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089928 1194388767 /nfs/dbraw/zinc/38/87/67/1194388767.db2.gz UZXIWOYMYBXZTN-ZWKOTPCHSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089928 1194388772 /nfs/dbraw/zinc/38/87/72/1194388772.db2.gz UZXIWOYMYBXZTN-ZWKOTPCHSA-N 2 1 381.565 0.317 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000422132957 1194396905 /nfs/dbraw/zinc/39/69/05/1194396905.db2.gz IFJDFYRNYMFGNX-HNNXBMFYSA-N 2 1 375.473 0.291 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000422145316 1194399481 /nfs/dbraw/zinc/39/94/81/1194399481.db2.gz ULNFTKRJEVEGSO-BDXSIMOUSA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000422145316 1194399485 /nfs/dbraw/zinc/39/94/85/1194399485.db2.gz ULNFTKRJEVEGSO-BDXSIMOUSA-N 2 1 380.533 0.639 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000272274774 1194445430 /nfs/dbraw/zinc/44/54/30/1194445430.db2.gz BZWNFNPCMOIKTB-WMLDXEAASA-N 2 1 387.484 0.678 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000272274774 1194445435 /nfs/dbraw/zinc/44/54/35/1194445435.db2.gz BZWNFNPCMOIKTB-WMLDXEAASA-N 2 1 387.484 0.678 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000272468738 1194463589 /nfs/dbraw/zinc/46/35/89/1194463589.db2.gz PURUZROCRZKZPQ-QZTJIDSGSA-N 2 1 387.532 0.724 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000272468738 1194463591 /nfs/dbraw/zinc/46/35/91/1194463591.db2.gz PURUZROCRZKZPQ-QZTJIDSGSA-N 2 1 387.532 0.724 20 0 GCADMP COCCOc1ccc(CNC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000272542046 1194471080 /nfs/dbraw/zinc/47/10/80/1194471080.db2.gz RUOJCNSAWHXKHW-UHFFFAOYSA-N 2 1 392.544 0.897 20 0 GCADMP COCCOc1ccc(CNC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000272542046 1194471082 /nfs/dbraw/zinc/47/10/82/1194471082.db2.gz RUOJCNSAWHXKHW-UHFFFAOYSA-N 2 1 392.544 0.897 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272719225 1194491032 /nfs/dbraw/zinc/49/10/32/1194491032.db2.gz BOPJQHSJTAQYEN-RBUKOAKNSA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272719225 1194491036 /nfs/dbraw/zinc/49/10/36/1194491036.db2.gz BOPJQHSJTAQYEN-RBUKOAKNSA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272719225 1194491038 /nfs/dbraw/zinc/49/10/38/1194491038.db2.gz BOPJQHSJTAQYEN-RBUKOAKNSA-N 2 1 375.517 0.298 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272740433 1194494351 /nfs/dbraw/zinc/49/43/51/1194494351.db2.gz IJPLRCZBUBYPJG-OAHLLOKOSA-N 2 1 379.509 0.197 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000422260842 1194601200 /nfs/dbraw/zinc/60/12/00/1194601200.db2.gz DDLOMPQCNWQVCL-JKSUJKDBSA-N 2 1 378.525 0.436 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422296751 1194607193 /nfs/dbraw/zinc/60/71/93/1194607193.db2.gz HTOQCPUSSRSDCC-INIZCTEOSA-N 2 1 382.549 0.933 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+](C)[C@H]3C)CC2)CC1 ZINC000422425960 1194638066 /nfs/dbraw/zinc/63/80/66/1194638066.db2.gz NKCZZWCTHAUPFT-PKOBYXMFSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000422459627 1194649824 /nfs/dbraw/zinc/64/98/24/1194649824.db2.gz ZQBGYQZBQFZVMJ-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000422493073 1194651967 /nfs/dbraw/zinc/65/19/67/1194651967.db2.gz XJEVMUJCFSFLIG-QGZVFWFLSA-N 2 1 380.533 0.405 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422544477 1194665410 /nfs/dbraw/zinc/66/54/10/1194665410.db2.gz QLBZNBJFCHWAOS-JZXOWHBKSA-N 2 1 380.533 0.545 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422544477 1194665411 /nfs/dbraw/zinc/66/54/11/1194665411.db2.gz QLBZNBJFCHWAOS-JZXOWHBKSA-N 2 1 380.533 0.545 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000422628864 1194678096 /nfs/dbraw/zinc/67/80/96/1194678096.db2.gz VNFAKAKCOWDZHO-ABHNRTSZSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000422628864 1194678101 /nfs/dbraw/zinc/67/81/01/1194678101.db2.gz VNFAKAKCOWDZHO-ABHNRTSZSA-N 2 1 382.549 0.935 20 0 GCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422642514 1194681147 /nfs/dbraw/zinc/68/11/47/1194681147.db2.gz ZMIUTWBFIVGNEY-HLLBOEOZSA-N 2 1 396.557 0.688 20 0 GCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638473 1194702463 /nfs/dbraw/zinc/70/24/63/1194702463.db2.gz YXUFHQUKXDARBD-DLBZAZTESA-N 2 1 377.485 0.867 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)C1 ZINC000414698684 1194703653 /nfs/dbraw/zinc/70/36/53/1194703653.db2.gz XTELZOCKQIOONK-AWEZNQCLSA-N 2 1 380.439 0.920 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000423010254 1194716909 /nfs/dbraw/zinc/71/69/09/1194716909.db2.gz GBAKBJMKKQCQSJ-ZWKOTPCHSA-N 2 1 376.476 0.879 20 0 GCADMP O=C(C(=O)N1CCC2(CC[NH2+]C2)CC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000423036833 1194720879 /nfs/dbraw/zinc/72/08/79/1194720879.db2.gz LRJPLBKJCFGTJS-UHFFFAOYSA-N 2 1 384.524 0.975 20 0 GCADMP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000414715118 1194723749 /nfs/dbraw/zinc/72/37/49/1194723749.db2.gz XOAWHKSRKABNNB-LJQANCHMSA-N 2 1 396.491 0.880 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423121150 1194728772 /nfs/dbraw/zinc/72/87/72/1194728772.db2.gz IARCGORIUNXPGR-UWWQBHOKSA-N 2 1 376.476 0.879 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000423109121 1194730300 /nfs/dbraw/zinc/73/03/00/1194730300.db2.gz GYSXMPILAYDGLT-HOTGVXAUSA-N 2 1 378.542 0.878 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000423185650 1194733865 /nfs/dbraw/zinc/73/38/65/1194733865.db2.gz JXISFVWCYMUXFA-TVFCKZIOSA-N 2 1 380.533 0.674 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423183955 1194733967 /nfs/dbraw/zinc/73/39/67/1194733967.db2.gz HAKPIQBOIUMEHH-JFIYKMOQSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183959 1194734159 /nfs/dbraw/zinc/73/41/59/1194734159.db2.gz HAKPIQBOIUMEHH-SOLBZPMBSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183959 1194734162 /nfs/dbraw/zinc/73/41/62/1194734162.db2.gz HAKPIQBOIUMEHH-SOLBZPMBSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423161290 1194734502 /nfs/dbraw/zinc/73/45/02/1194734502.db2.gz IQJZZBXAMVCVOJ-MOPGFXCFSA-N 2 1 387.528 0.962 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423163784 1194734644 /nfs/dbraw/zinc/73/46/44/1194734644.db2.gz NJAKHHFCKBOTBN-QZTJIDSGSA-N 2 1 389.500 0.081 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423212103 1194737409 /nfs/dbraw/zinc/73/74/09/1194737409.db2.gz LOJYGZNKUFJHCK-FGTMMUONSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000423191785 1194738149 /nfs/dbraw/zinc/73/81/49/1194738149.db2.gz TYUXIHHEFDHSJL-KSZLIROESA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000423191785 1194738151 /nfs/dbraw/zinc/73/81/51/1194738151.db2.gz TYUXIHHEFDHSJL-KSZLIROESA-N 2 1 392.544 0.689 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423193328 1194738225 /nfs/dbraw/zinc/73/82/25/1194738225.db2.gz XDBWZEPCMPRDTH-ZDUSSCGKSA-N 2 1 380.411 0.049 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423219185 1194741155 /nfs/dbraw/zinc/74/11/55/1194741155.db2.gz WKXKENYDPOJZDP-CEXWTWQISA-N 2 1 395.592 0.835 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCO1 ZINC000423233365 1194742501 /nfs/dbraw/zinc/74/25/01/1194742501.db2.gz OFPWVTVCQQGJAY-IBGZPJMESA-N 2 1 388.512 0.340 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423260943 1194742802 /nfs/dbraw/zinc/74/28/02/1194742802.db2.gz IVTOIRCFPRZHDA-UHFFFAOYSA-N 2 1 389.544 0.331 20 0 GCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000423241344 1194743140 /nfs/dbraw/zinc/74/31/40/1194743140.db2.gz LKRCQPPTTOZHQU-LJQANCHMSA-N 2 1 388.512 0.543 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423257666 1194743957 /nfs/dbraw/zinc/74/39/57/1194743957.db2.gz AAOHBGBJVBQIKU-IEBWSBKVSA-N 2 1 387.528 0.068 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1)Cc1ccccc1 ZINC000423270025 1194745359 /nfs/dbraw/zinc/74/53/59/1194745359.db2.gz WHAKPZNGNBFUTQ-UHFFFAOYSA-N 2 1 387.528 0.212 20 0 GCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423280395 1194745680 /nfs/dbraw/zinc/74/56/80/1194745680.db2.gz UBNOCFFOYNOSIG-GOSISDBHSA-N 2 1 391.560 0.217 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@@H+]1CCOC ZINC000423274401 1194745893 /nfs/dbraw/zinc/74/58/93/1194745893.db2.gz KITVITPFTLHFFT-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[N@H+]1CCOC ZINC000423274401 1194745894 /nfs/dbraw/zinc/74/58/94/1194745894.db2.gz KITVITPFTLHFFT-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC[N@@H+]1C ZINC000423374168 1194750761 /nfs/dbraw/zinc/75/07/61/1194750761.db2.gz HXEDTEMGVLVTOR-SQNIBIBYSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC[N@H+]1C ZINC000423374168 1194750763 /nfs/dbraw/zinc/75/07/63/1194750763.db2.gz HXEDTEMGVLVTOR-SQNIBIBYSA-N 2 1 380.533 0.530 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423364449 1194751270 /nfs/dbraw/zinc/75/12/70/1194751270.db2.gz ARZSRMIDVPXCNK-GOSISDBHSA-N 2 1 387.528 0.335 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423370746 1194751646 /nfs/dbraw/zinc/75/16/46/1194751646.db2.gz HCQNVKRRWGPQTP-HKUYNNGSSA-N 2 1 388.512 0.686 20 0 GCADMP CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414737710 1194752310 /nfs/dbraw/zinc/75/23/10/1194752310.db2.gz OIQVTAVPJXMPIT-HNNXBMFYSA-N 2 1 390.484 0.916 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423396778 1194753318 /nfs/dbraw/zinc/75/33/18/1194753318.db2.gz SNPXCMCIRPCGNK-QUCCMNQESA-N 2 1 399.539 0.477 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC[N@@H+]1C ZINC000423391984 1194753330 /nfs/dbraw/zinc/75/33/30/1194753330.db2.gz XFRINMSYLYNBDC-OKZBNKHCSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC[N@H+]1C ZINC000423391984 1194753332 /nfs/dbraw/zinc/75/33/32/1194753332.db2.gz XFRINMSYLYNBDC-OKZBNKHCSA-N 2 1 380.533 0.530 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423392831 1194753351 /nfs/dbraw/zinc/75/33/51/1194753351.db2.gz QSQPZJLUEMYANF-CWLKWCNXSA-N 2 1 378.517 0.284 20 0 GCADMP COc1cc(C(=O)N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)ccc1C ZINC000414741093 1194754064 /nfs/dbraw/zinc/75/40/64/1194754064.db2.gz HCXBYMUZJQELAI-QGZVFWFLSA-N 2 1 388.512 0.959 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423404910 1194754616 /nfs/dbraw/zinc/75/46/16/1194754616.db2.gz XXCKGUQRHPBKCN-RBUKOAKNSA-N 2 1 399.539 0.335 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423450109 1194756127 /nfs/dbraw/zinc/75/61/27/1194756127.db2.gz SJFNYZOGABQMJI-AEFFLSMTSA-N 2 1 382.549 0.779 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423438702 1194757263 /nfs/dbraw/zinc/75/72/63/1194757263.db2.gz HDNNUUPFVISDCX-SFHVURJKSA-N 2 1 394.560 0.651 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495090 1194761009 /nfs/dbraw/zinc/76/10/09/1194761009.db2.gz BPNWPBHLZIMUFB-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529115 1194761599 /nfs/dbraw/zinc/76/15/99/1194761599.db2.gz NXHHKHLZCJFOQD-NZSAHSFTSA-N 2 1 393.576 0.602 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529116 1194761644 /nfs/dbraw/zinc/76/16/44/1194761644.db2.gz NXHHKHLZCJFOQD-QRQLOZEOSA-N 2 1 393.576 0.602 20 0 GCADMP C[C@@H](NC[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523048 1194762888 /nfs/dbraw/zinc/76/28/88/1194762888.db2.gz MVTNZEJIROWCBW-NVXWUHKLSA-N 2 1 384.546 0.556 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423559409 1194763694 /nfs/dbraw/zinc/76/36/94/1194763694.db2.gz DTXABFXRXBZRAH-SFTDATJTSA-N 2 1 388.512 0.279 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423559405 1194764013 /nfs/dbraw/zinc/76/40/13/1194764013.db2.gz DTXABFXRXBZRAH-NHCUHLMSSA-N 2 1 388.512 0.279 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423575772 1194769215 /nfs/dbraw/zinc/76/92/15/1194769215.db2.gz WTVNPDQAIOAWMO-BLIXFSHQSA-N 2 1 388.512 0.278 20 0 GCADMP O=C(C(=O)N1CCC[NH2+]CC1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423606958 1194772394 /nfs/dbraw/zinc/77/23/94/1194772394.db2.gz ISOHKMCQZYMYDH-HXUWFJFHSA-N 2 1 399.539 0.227 20 0 GCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423610597 1194773195 /nfs/dbraw/zinc/77/31/95/1194773195.db2.gz REBMGMYUNGONOP-AZUAARDMSA-N 2 1 399.539 0.225 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639248 1194776509 /nfs/dbraw/zinc/77/65/09/1194776509.db2.gz JFCYSNOYOMHJRW-WOJBJXKFSA-N 2 1 399.539 0.355 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639247 1194776634 /nfs/dbraw/zinc/77/66/34/1194776634.db2.gz JFCYSNOYOMHJRW-VQTJNVASSA-N 2 1 399.539 0.355 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639244 1194776696 /nfs/dbraw/zinc/77/66/96/1194776696.db2.gz JFCYSNOYOMHJRW-PMACEKPBSA-N 2 1 399.539 0.355 20 0 GCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643906 1194777308 /nfs/dbraw/zinc/77/73/08/1194777308.db2.gz XSNYFEGUSQEIHU-PMACEKPBSA-N 2 1 399.539 0.212 20 0 GCADMP CCCN(C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423660703 1194780856 /nfs/dbraw/zinc/78/08/56/1194780856.db2.gz KSHHCWACXZDUMA-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423669526 1194782426 /nfs/dbraw/zinc/78/24/26/1194782426.db2.gz SJEAWTLGNSQOBE-UHFFFAOYSA-N 2 1 390.528 0.791 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC2)CCO1 ZINC000423695308 1194783495 /nfs/dbraw/zinc/78/34/95/1194783495.db2.gz VMCFATFNEWREHT-QGZVFWFLSA-N 2 1 388.512 0.686 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423678887 1194784917 /nfs/dbraw/zinc/78/49/17/1194784917.db2.gz RGAOZIIHKKJDEQ-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)CC[NH+](C)C ZINC000423678887 1194784919 /nfs/dbraw/zinc/78/49/19/1194784919.db2.gz RGAOZIIHKKJDEQ-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000423683749 1194785347 /nfs/dbraw/zinc/78/53/47/1194785347.db2.gz XEAIPFHTZNOOJE-KRWDZBQOSA-N 2 1 390.528 0.668 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000423683749 1194785348 /nfs/dbraw/zinc/78/53/48/1194785348.db2.gz XEAIPFHTZNOOJE-KRWDZBQOSA-N 2 1 390.528 0.668 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000423686848 1194785975 /nfs/dbraw/zinc/78/59/75/1194785975.db2.gz ZNPSQULZENTWRU-RBUKOAKNSA-N 2 1 388.512 0.338 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH2+]1 ZINC000423688800 1194786286 /nfs/dbraw/zinc/78/62/86/1194786286.db2.gz XRNMZZUCEMJPLT-QUCCMNQESA-N 2 1 399.539 0.225 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000423706611 1194786647 /nfs/dbraw/zinc/78/66/47/1194786647.db2.gz RCWGVFMIBFSHPO-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000423706611 1194786649 /nfs/dbraw/zinc/78/66/49/1194786649.db2.gz RCWGVFMIBFSHPO-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423715906 1194788062 /nfs/dbraw/zinc/78/80/62/1194788062.db2.gz HYEXJQVGWXIHRP-QGZVFWFLSA-N 2 1 375.517 0.068 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)CC1 ZINC000423748575 1194791818 /nfs/dbraw/zinc/79/18/18/1194791818.db2.gz ZOEFLVYFTPIKTD-IEBWSBKVSA-N 2 1 393.576 0.589 20 0 GCADMP C[C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@@H]1C[NH3+] ZINC000424068516 1194800568 /nfs/dbraw/zinc/80/05/68/1194800568.db2.gz IABBWJGBJXZTGS-VSZNYVQBSA-N 2 1 380.533 0.532 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424465402 1194813710 /nfs/dbraw/zinc/81/37/10/1194813710.db2.gz RSGMWFZVLUHZGW-LULLPPNCSA-N 2 1 392.548 0.993 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000424494171 1194817738 /nfs/dbraw/zinc/81/77/38/1194817738.db2.gz MTWSABQXCGEEBF-KRWDZBQOSA-N 2 1 394.560 0.792 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)C[C@H]2[NH3+])cn1 ZINC000424508750 1194819081 /nfs/dbraw/zinc/81/90/81/1194819081.db2.gz PJJFWBGHQCMFEA-GBESFXJTSA-N 2 1 396.495 0.064 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424537919 1194820214 /nfs/dbraw/zinc/82/02/14/1194820214.db2.gz BTIASNMHBSVAFG-BPQIPLTHSA-N 2 1 390.532 0.157 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543004 1194822547 /nfs/dbraw/zinc/82/25/47/1194822547.db2.gz FXRFRONYIBFPTM-YESZJQIVSA-N 2 1 376.505 0.054 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000424550658 1194823947 /nfs/dbraw/zinc/82/39/47/1194823947.db2.gz TVKLIORFJSDXAW-PQEBFOHHSA-N 2 1 376.505 0.004 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)C[C@@H]1O ZINC000664463900 1194883338 /nfs/dbraw/zinc/88/33/38/1194883338.db2.gz SQCPTQQNESRUIB-ROUUACIJSA-N 2 1 395.935 0.778 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693990 1194895233 /nfs/dbraw/zinc/89/52/33/1194895233.db2.gz UKWTYYLCXXIZMC-MJGOQNOKSA-N 2 1 391.560 0.380 20 0 GCADMP CC[C@H]1C[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647940043 1194909397 /nfs/dbraw/zinc/90/93/97/1194909397.db2.gz KTEHIQWOUNZQKY-FUHWJXTLSA-N 2 1 394.541 0.579 20 0 GCADMP CC[C@H]1C[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000647940043 1194909398 /nfs/dbraw/zinc/90/93/98/1194909398.db2.gz KTEHIQWOUNZQKY-FUHWJXTLSA-N 2 1 394.541 0.579 20 0 GCADMP COc1cc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000435370188 1194925402 /nfs/dbraw/zinc/92/54/02/1194925402.db2.gz HQVDPEDBCHXVQK-CYBMUJFWSA-N 2 1 398.891 0.500 20 0 GCADMP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000514930768 1194930090 /nfs/dbraw/zinc/93/00/90/1194930090.db2.gz VNXVVJXPQHIGCB-KURKYZTESA-N 2 1 378.517 0.015 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425379373 1194933312 /nfs/dbraw/zinc/93/33/12/1194933312.db2.gz ASGKAFIFTYVINT-UHFFFAOYSA-N 2 1 382.549 0.890 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000425389506 1194938661 /nfs/dbraw/zinc/93/86/61/1194938661.db2.gz PZJCQQMCNYTZMO-KRWDZBQOSA-N 2 1 380.533 0.642 20 0 GCADMP CN(CC(=O)N1CCC[C@]2(C1)C[N@H+](CCCC(F)(F)F)CCO2)C(N)=[NH2+] ZINC001269992337 1194949007 /nfs/dbraw/zinc/94/90/07/1194949007.db2.gz HJTVOFXSNOJFPY-OAHLLOKOSA-N 2 1 379.427 0.848 20 0 GCADMP CN(CC(=O)N1CCC[C@]2(C1)C[N@@H+](CCCC(F)(F)F)CCO2)C(N)=[NH2+] ZINC001269992337 1194949010 /nfs/dbraw/zinc/94/90/10/1194949010.db2.gz HJTVOFXSNOJFPY-OAHLLOKOSA-N 2 1 379.427 0.848 20 0 GCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425401964 1194958180 /nfs/dbraw/zinc/95/81/80/1194958180.db2.gz MGVISVLYVRGSJM-QGZVFWFLSA-N 2 1 382.549 0.746 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425401964 1194958184 /nfs/dbraw/zinc/95/81/84/1194958184.db2.gz MGVISVLYVRGSJM-QGZVFWFLSA-N 2 1 382.549 0.746 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000435803254 1194966155 /nfs/dbraw/zinc/96/61/55/1194966155.db2.gz CZRJANCYBSLXAR-INIZCTEOSA-N 2 1 397.564 0.464 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000435803254 1194966156 /nfs/dbraw/zinc/96/61/56/1194966156.db2.gz CZRJANCYBSLXAR-INIZCTEOSA-N 2 1 397.564 0.464 20 0 GCADMP Cc1cccc(OCCNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436057252 1194982433 /nfs/dbraw/zinc/98/24/33/1194982433.db2.gz FXXHAQLFPLEJQE-KRWDZBQOSA-N 2 1 376.501 0.810 20 0 GCADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436057252 1194982436 /nfs/dbraw/zinc/98/24/36/1194982436.db2.gz FXXHAQLFPLEJQE-KRWDZBQOSA-N 2 1 376.501 0.810 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000436058415 1194983060 /nfs/dbraw/zinc/98/30/60/1194983060.db2.gz KSTCTYFNHFQRCP-OAHLLOKOSA-N 2 1 376.457 0.351 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000436058415 1194983062 /nfs/dbraw/zinc/98/30/62/1194983062.db2.gz KSTCTYFNHFQRCP-OAHLLOKOSA-N 2 1 376.457 0.351 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000436144915 1194987706 /nfs/dbraw/zinc/98/77/06/1194987706.db2.gz RJTJEHIZEMEFCF-MRXNPFEDSA-N 2 1 397.564 0.416 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000515651824 1194989913 /nfs/dbraw/zinc/98/99/13/1194989913.db2.gz VWXWCXJWMINZHL-IBGZPJMESA-N 2 1 386.496 0.984 20 0 GCADMP Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000515673322 1194990281 /nfs/dbraw/zinc/99/02/81/1194990281.db2.gz UXGQLEZIUOWBGM-JKSUJKDBSA-N 2 1 387.488 0.016 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000436256425 1194993482 /nfs/dbraw/zinc/99/34/82/1194993482.db2.gz BNDTWGFGRWORGH-CVEARBPZSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000436261526 1194993882 /nfs/dbraw/zinc/99/38/82/1194993882.db2.gz PCBLGQJBEVXXBM-HZPDHXFCSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261526 1194993883 /nfs/dbraw/zinc/99/38/83/1194993883.db2.gz PCBLGQJBEVXXBM-HZPDHXFCSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261526 1194993886 /nfs/dbraw/zinc/99/38/86/1194993886.db2.gz PCBLGQJBEVXXBM-HZPDHXFCSA-N 2 1 383.537 0.060 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000515840948 1195001448 /nfs/dbraw/zinc/00/14/48/1195001448.db2.gz BJEJDOKIYUAEIS-UHFFFAOYSA-N 2 1 388.516 0.556 20 0 GCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515846081 1195001846 /nfs/dbraw/zinc/00/18/46/1195001846.db2.gz BRNNOHIBJFPRCI-HUUCEWRRSA-N 2 1 380.514 0.902 20 0 GCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199042 1195031016 /nfs/dbraw/zinc/03/10/16/1195031016.db2.gz KSUCAZDXMJTKHL-RTBURBONSA-N 2 1 392.544 0.833 20 0 GCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199040 1195031309 /nfs/dbraw/zinc/03/13/09/1195031309.db2.gz KSUCAZDXMJTKHL-OALUTQOASA-N 2 1 392.544 0.833 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000516430688 1195050119 /nfs/dbraw/zinc/05/01/19/1195050119.db2.gz ICYRGRPRRGNCBU-GOSISDBHSA-N 2 1 379.480 0.625 20 0 GCADMP Cc1ncsc1CN1CC2(C1)CCN(C(=O)CN(CCO)CCO)CC2 ZINC001270175421 1195073735 /nfs/dbraw/zinc/07/37/35/1195073735.db2.gz DSTJWFIVGLUDAX-UHFFFAOYSA-N 2 1 382.530 0.163 20 0 GCADMP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(=O)[nH]c1=O ZINC000516650858 1195080434 /nfs/dbraw/zinc/08/04/34/1195080434.db2.gz ISEUHZKHKCORSQ-AWEZNQCLSA-N 2 1 394.520 0.745 20 0 GCADMP CCCCn1c(N)c(N(CC)C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(=O)[nH]c1=O ZINC000516650859 1195080572 /nfs/dbraw/zinc/08/05/72/1195080572.db2.gz ISEUHZKHKCORSQ-CQSZACIVSA-N 2 1 394.520 0.745 20 0 GCADMP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(=O)n(C)c1=O ZINC000516760738 1195093999 /nfs/dbraw/zinc/09/39/99/1195093999.db2.gz IHCHTYZCAJPYJX-AWEZNQCLSA-N 2 1 391.516 0.432 20 0 GCADMP CC[NH+](CC(=O)N1CCN(C)[C@H](CNC(=O)C[N@H+](CC)C2CC2)C1)C1CC1 ZINC000516777854 1195097294 /nfs/dbraw/zinc/09/72/94/1195097294.db2.gz SVPOGBSSCTWTPU-GOSISDBHSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC(=O)NC[C@@H]1CN(C(=O)C[N@H+](CC)C2CC2)CCN1C)C1CC1 ZINC000516777854 1195097298 /nfs/dbraw/zinc/09/72/98/1195097298.db2.gz SVPOGBSSCTWTPU-GOSISDBHSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC(=O)NC[C@@H]1CN(C(=O)C[N@@H+](CC)C2CC2)CCN1C)C1CC1 ZINC000516777854 1195097302 /nfs/dbraw/zinc/09/73/02/1195097302.db2.gz SVPOGBSSCTWTPU-GOSISDBHSA-N 2 1 379.549 0.214 20 0 GCADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000516857944 1195105970 /nfs/dbraw/zinc/10/59/70/1195105970.db2.gz QYBIYCQFPSRXNC-SQNIBIBYSA-N 2 1 388.512 0.653 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000516882023 1195108869 /nfs/dbraw/zinc/10/88/69/1195108869.db2.gz LYXYJAUIWZACKO-GBESFXJTSA-N 2 1 396.576 0.945 20 0 GCADMP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)cn(C)c1=O ZINC000437462293 1195113265 /nfs/dbraw/zinc/11/32/65/1195113265.db2.gz NMTJPYMCDXUFMA-UHFFFAOYSA-N 2 1 377.489 0.117 20 0 GCADMP Cc1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cn(C)c1=O ZINC000437462293 1195113268 /nfs/dbraw/zinc/11/32/68/1195113268.db2.gz NMTJPYMCDXUFMA-UHFFFAOYSA-N 2 1 377.489 0.117 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000549994856 1195142762 /nfs/dbraw/zinc/14/27/62/1195142762.db2.gz RLIMYSCFVUKNCQ-HZPDHXFCSA-N 2 1 396.557 0.940 20 0 GCADMP CC[NH+]1CCC(CCNC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425887303 1195151728 /nfs/dbraw/zinc/15/17/28/1195151728.db2.gz RDLNHQHKCKEGGL-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000425891632 1195154706 /nfs/dbraw/zinc/15/47/06/1195154706.db2.gz PHKJYMZOSARZTD-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CCCO1 ZINC000517424033 1195181819 /nfs/dbraw/zinc/18/18/19/1195181819.db2.gz ZHQUGGSWXNTMQS-KRWDZBQOSA-N 2 1 382.549 0.842 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517573226 1195192299 /nfs/dbraw/zinc/19/22/99/1195192299.db2.gz PASHZIPRHWVJRO-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517573226 1195192302 /nfs/dbraw/zinc/19/23/02/1195192302.db2.gz PASHZIPRHWVJRO-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000517566415 1195194147 /nfs/dbraw/zinc/19/41/47/1195194147.db2.gz OJXKTYBNHNESFF-SFHVURJKSA-N 2 1 397.564 0.585 20 0 GCADMP CN1CCN(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@H](C[NH3+])C1 ZINC000517719631 1195209613 /nfs/dbraw/zinc/20/96/13/1195209613.db2.gz GJUAGZSUHSRPNM-GOSISDBHSA-N 2 1 394.951 0.746 20 0 GCADMP COC[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000438353486 1195210970 /nfs/dbraw/zinc/21/09/70/1195210970.db2.gz BRMNNRADOCIYAK-ADHGMGHFSA-N 2 1 382.549 0.979 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000517907231 1195229569 /nfs/dbraw/zinc/22/95/69/1195229569.db2.gz XULAVWDTAAPQSR-SFHVURJKSA-N 2 1 376.501 0.657 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000518016843 1195239016 /nfs/dbraw/zinc/23/90/16/1195239016.db2.gz UOFYBQCTKYLION-OTWHNJEPSA-N 2 1 381.565 0.907 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426124494 1195242425 /nfs/dbraw/zinc/24/24/25/1195242425.db2.gz SJJANENMXOHGHT-CYBMUJFWSA-N 2 1 378.439 0.976 20 0 GCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000414969346 1195270200 /nfs/dbraw/zinc/27/02/00/1195270200.db2.gz FBQRCZDERPCCGL-QGZVFWFLSA-N 2 1 387.484 0.110 20 0 GCADMP C[C@H](c1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000518339442 1195282006 /nfs/dbraw/zinc/28/20/06/1195282006.db2.gz NBTYSTWMQRZUHB-OAHLLOKOSA-N 2 1 375.473 0.633 20 0 GCADMP C[N@H+]1CCN(CCC[NH2+]CC2(O)CCS(=O)(=O)CC2)[C@H](c2ccccc2)C1 ZINC000518361481 1195283089 /nfs/dbraw/zinc/28/30/89/1195283089.db2.gz ANHNKYGIHLCUIO-IBGZPJMESA-N 2 1 395.569 0.895 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000518471173 1195293328 /nfs/dbraw/zinc/29/33/28/1195293328.db2.gz PNKAGLVCNLDNTR-GOSISDBHSA-N 2 1 395.548 0.293 20 0 GCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccc2F)CC1 ZINC000518542132 1195301639 /nfs/dbraw/zinc/30/16/39/1195301639.db2.gz KSJJIPYYKARVKT-KRWDZBQOSA-N 2 1 375.492 0.454 20 0 GCADMP C[NH+]1CCC(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)(N2CCOCC2)CC1 ZINC000518724137 1195323640 /nfs/dbraw/zinc/32/36/40/1195323640.db2.gz ASIUFTWYTFQCBB-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000518737504 1195325108 /nfs/dbraw/zinc/32/51/08/1195325108.db2.gz IVXSLLIAXZSOKM-AEFFLSMTSA-N 2 1 376.501 0.460 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000518737504 1195325112 /nfs/dbraw/zinc/32/51/12/1195325112.db2.gz IVXSLLIAXZSOKM-AEFFLSMTSA-N 2 1 376.501 0.460 20 0 GCADMP C[NH+]1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434370 1195335054 /nfs/dbraw/zinc/33/50/54/1195335054.db2.gz YEYOOPHIGMTGQN-DLBZAZTESA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@H]1CNC(=O)CC1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434370 1195335055 /nfs/dbraw/zinc/33/50/55/1195335055.db2.gz YEYOOPHIGMTGQN-DLBZAZTESA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@H]1CNC(=O)CC1(C(=O)NC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434370 1195335057 /nfs/dbraw/zinc/33/50/57/1195335057.db2.gz YEYOOPHIGMTGQN-DLBZAZTESA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000518832849 1195338154 /nfs/dbraw/zinc/33/81/54/1195338154.db2.gz WYAKOSHTSBBYJR-IXDOHACOSA-N 2 1 378.517 0.299 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426564791 1195380526 /nfs/dbraw/zinc/38/05/26/1195380526.db2.gz INSQZQDXIDACKH-OALUTQOASA-N 2 1 382.549 0.852 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000519201332 1195381468 /nfs/dbraw/zinc/38/14/68/1195381468.db2.gz KJYYJNUOMIIEOT-GOSISDBHSA-N 2 1 394.560 0.842 20 0 GCADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426567517 1195383505 /nfs/dbraw/zinc/38/35/05/1195383505.db2.gz WFNYSLGNLFGFKQ-NSHGMRRFSA-N 2 1 398.548 0.137 20 0 GCADMP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1(C)C ZINC000664814514 1195427632 /nfs/dbraw/zinc/42/76/32/1195427632.db2.gz GGUKXCSCJOABAX-QZTJIDSGSA-N 2 1 393.576 0.955 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)CC1(C)C ZINC000664814514 1195427635 /nfs/dbraw/zinc/42/76/35/1195427635.db2.gz GGUKXCSCJOABAX-QZTJIDSGSA-N 2 1 393.576 0.955 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000550096654 1195433944 /nfs/dbraw/zinc/43/39/44/1195433944.db2.gz KWYOCXNHSOYVLL-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000550096655 1195434128 /nfs/dbraw/zinc/43/41/28/1195434128.db2.gz KWYOCXNHSOYVLL-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550095953 1195434744 /nfs/dbraw/zinc/43/47/44/1195434744.db2.gz JGWGFRAAQAAWOQ-ZWKOTPCHSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550095953 1195434748 /nfs/dbraw/zinc/43/47/48/1195434748.db2.gz JGWGFRAAQAAWOQ-ZWKOTPCHSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550095953 1195434750 /nfs/dbraw/zinc/43/47/50/1195434750.db2.gz JGWGFRAAQAAWOQ-ZWKOTPCHSA-N 2 1 382.549 0.840 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000550098552 1195434962 /nfs/dbraw/zinc/43/49/62/1195434962.db2.gz WFVCTCSWIJSFGT-OALUTQOASA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550098552 1195434963 /nfs/dbraw/zinc/43/49/63/1195434963.db2.gz WFVCTCSWIJSFGT-OALUTQOASA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550098552 1195434965 /nfs/dbraw/zinc/43/49/65/1195434965.db2.gz WFVCTCSWIJSFGT-OALUTQOASA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000550098528 1195435038 /nfs/dbraw/zinc/43/50/38/1195435038.db2.gz VTOCPIDLDSZOSL-QZTJIDSGSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550095328 1195435159 /nfs/dbraw/zinc/43/51/59/1195435159.db2.gz HMQWZXGFRRNCHW-ROUUACIJSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550095327 1195435700 /nfs/dbraw/zinc/43/57/00/1195435700.db2.gz HMQWZXGFRRNCHW-QZTJIDSGSA-N 2 1 382.549 0.698 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000550206842 1195461380 /nfs/dbraw/zinc/46/13/80/1195461380.db2.gz MNIHAYWWZCBFDF-BZUAXINKSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000550206842 1195461384 /nfs/dbraw/zinc/46/13/84/1195461384.db2.gz MNIHAYWWZCBFDF-BZUAXINKSA-N 2 1 380.533 0.591 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000102049792 1195468310 /nfs/dbraw/zinc/46/83/10/1195468310.db2.gz JRIOSNPRXNVSJI-SFHVURJKSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000102049792 1195468312 /nfs/dbraw/zinc/46/83/12/1195468312.db2.gz JRIOSNPRXNVSJI-SFHVURJKSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000102049792 1195468314 /nfs/dbraw/zinc/46/83/14/1195468314.db2.gz JRIOSNPRXNVSJI-SFHVURJKSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCC13CC[NH+](C)CC3)C2 ZINC000894788650 1195472292 /nfs/dbraw/zinc/47/22/92/1195472292.db2.gz VHHMXARTIBWSIB-ALOPSCKCSA-N 2 1 377.533 0.950 20 0 GCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[NH+](C)C[C@]3(C)C1)C2 ZINC000894788736 1195472518 /nfs/dbraw/zinc/47/25/18/1195472518.db2.gz XPJGBDQQQIJCNG-MIGJQELLSA-N 2 1 377.533 0.663 20 0 GCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[N@H+](C)C[C@]3(C)C1)C2 ZINC000894788736 1195472520 /nfs/dbraw/zinc/47/25/20/1195472520.db2.gz XPJGBDQQQIJCNG-MIGJQELLSA-N 2 1 377.533 0.663 20 0 GCADMP CN(C)C(=O)C[NH+]1[C@@H]2CC[C@H]1CC(NC(=O)N1C[C@@H]3C[N@@H+](C)C[C@]3(C)C1)C2 ZINC000894788736 1195472521 /nfs/dbraw/zinc/47/25/21/1195472521.db2.gz XPJGBDQQQIJCNG-MIGJQELLSA-N 2 1 377.533 0.663 20 0 GCADMP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507435052 1195521629 /nfs/dbraw/zinc/52/16/29/1195521629.db2.gz VLZAVHKBGPQEQH-RDJZCZTQSA-N 2 1 395.548 0.781 20 0 GCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427274586 1195522947 /nfs/dbraw/zinc/52/29/47/1195522947.db2.gz JKRAYYQPCWEMEV-HUUCEWRRSA-N 2 1 376.505 1.029 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427274586 1195522950 /nfs/dbraw/zinc/52/29/50/1195522950.db2.gz JKRAYYQPCWEMEV-HUUCEWRRSA-N 2 1 376.505 1.029 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)NC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427496242 1195545928 /nfs/dbraw/zinc/54/59/28/1195545928.db2.gz VELUTEDSDBBYIP-QGTPRVQTSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427496242 1195545930 /nfs/dbraw/zinc/54/59/30/1195545930.db2.gz VELUTEDSDBBYIP-QGTPRVQTSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427496242 1195545932 /nfs/dbraw/zinc/54/59/32/1195545932.db2.gz VELUTEDSDBBYIP-QGTPRVQTSA-N 2 1 378.517 0.487 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000550300421 1195554116 /nfs/dbraw/zinc/55/41/16/1195554116.db2.gz ZSCHDXMMALGNLG-UHFFFAOYSA-N 2 1 381.565 0.319 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519713714 1195566762 /nfs/dbraw/zinc/56/67/62/1195566762.db2.gz UFGFXQHIIJMUGI-LISAXSMJSA-N 2 1 376.501 0.634 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519713714 1195566767 /nfs/dbraw/zinc/56/67/67/1195566767.db2.gz UFGFXQHIIJMUGI-LISAXSMJSA-N 2 1 376.501 0.634 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000519734355 1195567449 /nfs/dbraw/zinc/56/74/49/1195567449.db2.gz YBVLCJZAVUWWQR-WMZOPIPTSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c2cccs2)CC1 ZINC000519754119 1195569529 /nfs/dbraw/zinc/56/95/29/1195569529.db2.gz BLHBQDNAJCMBGJ-BZUAXINKSA-N 2 1 393.557 0.396 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000519861169 1195578934 /nfs/dbraw/zinc/57/89/34/1195578934.db2.gz KULPJLNLCZIHLM-MRXNPFEDSA-N 2 1 398.529 0.905 20 0 GCADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000415792128 1195579523 /nfs/dbraw/zinc/57/95/23/1195579523.db2.gz SQEXNFXHIOAVPL-MRXNPFEDSA-N 2 1 389.500 0.185 20 0 GCADMP CN1CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@@H+](C)CC1 ZINC000894886812 1195582575 /nfs/dbraw/zinc/58/25/75/1195582575.db2.gz YLFVFSABHBKLQJ-UHFFFAOYSA-N 2 1 392.548 0.801 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000550318258 1195590004 /nfs/dbraw/zinc/59/00/04/1195590004.db2.gz VJLSYGOOKZSABQ-MDZRGWNJSA-N 2 1 392.544 0.830 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000440993255 1195594369 /nfs/dbraw/zinc/59/43/69/1195594369.db2.gz QJGQMYPSMLISGV-INIZCTEOSA-N 2 1 383.537 0.291 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000440993255 1195594370 /nfs/dbraw/zinc/59/43/70/1195594370.db2.gz QJGQMYPSMLISGV-INIZCTEOSA-N 2 1 383.537 0.291 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000440993255 1195594372 /nfs/dbraw/zinc/59/43/72/1195594372.db2.gz QJGQMYPSMLISGV-INIZCTEOSA-N 2 1 383.537 0.291 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000440993255 1195594374 /nfs/dbraw/zinc/59/43/74/1195594374.db2.gz QJGQMYPSMLISGV-INIZCTEOSA-N 2 1 383.537 0.291 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520378228 1195628117 /nfs/dbraw/zinc/62/81/17/1195628117.db2.gz BWABIHHEAIBTKN-GJZGRUSLSA-N 2 1 381.546 0.252 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520378229 1195628359 /nfs/dbraw/zinc/62/83/59/1195628359.db2.gz BWABIHHEAIBTKN-HUUCEWRRSA-N 2 1 381.546 0.252 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000579248019 1195629779 /nfs/dbraw/zinc/62/97/79/1195629779.db2.gz VZKCDLMRYXVSBZ-UHFFFAOYSA-N 2 1 381.565 0.463 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000550380885 1195648606 /nfs/dbraw/zinc/64/86/06/1195648606.db2.gz CDMIIBSMKVZUBN-GOSISDBHSA-N 2 1 395.592 0.707 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383889 1195651781 /nfs/dbraw/zinc/65/17/81/1195651781.db2.gz WSDJNWRSBCXKGQ-SJLPKXTDSA-N 2 1 379.549 0.141 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000550388500 1195652515 /nfs/dbraw/zinc/65/25/15/1195652515.db2.gz SOQOORZCJHPQPT-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983804105 1195674507 /nfs/dbraw/zinc/67/45/07/1195674507.db2.gz HLTZESKLBICHGF-ZJPYXAASSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520447351 1195730864 /nfs/dbraw/zinc/73/08/64/1195730864.db2.gz DENLSXRNUPCJSZ-HKUYNNGSSA-N 2 1 390.528 0.802 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520447351 1195730866 /nfs/dbraw/zinc/73/08/66/1195730866.db2.gz DENLSXRNUPCJSZ-HKUYNNGSSA-N 2 1 390.528 0.802 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946612 1195742007 /nfs/dbraw/zinc/74/20/07/1195742007.db2.gz ZTDBRPCSBMUJIV-ROUUACIJSA-N 2 1 383.581 0.747 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000188946634 1195742066 /nfs/dbraw/zinc/74/20/66/1195742066.db2.gz ZTDBRPCSBMUJIV-MSOLQXFVSA-N 2 1 383.581 0.747 20 0 GCADMP CC[C@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000458982095 1195743258 /nfs/dbraw/zinc/74/32/58/1195743258.db2.gz PQCPEUNWBGKVGZ-CVEARBPZSA-N 2 1 391.582 0.372 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000729497311 1195744506 /nfs/dbraw/zinc/74/45/06/1195744506.db2.gz RKUDXWSELKWYEW-JFIYKMOQSA-N 2 1 384.546 0.357 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000536356048 1195744831 /nfs/dbraw/zinc/74/48/31/1195744831.db2.gz QTVDYFHVINKMPS-OTWHNJEPSA-N 2 1 375.517 0.167 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536356048 1195744833 /nfs/dbraw/zinc/74/48/33/1195744833.db2.gz QTVDYFHVINKMPS-OTWHNJEPSA-N 2 1 375.517 0.167 20 0 GCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000563887755 1195843534 /nfs/dbraw/zinc/84/35/34/1195843534.db2.gz ATQBDDHZRZXQGO-ZWKOTPCHSA-N 2 1 380.533 0.452 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)C(C)(C)CCC(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000427791107 1195876174 /nfs/dbraw/zinc/87/61/74/1195876174.db2.gz VLWPWTDEANXCAL-USTZCAOPSA-N 2 1 376.545 0.833 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)CCC(C)(C)C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000427791107 1195876179 /nfs/dbraw/zinc/87/61/79/1195876179.db2.gz VLWPWTDEANXCAL-USTZCAOPSA-N 2 1 376.545 0.833 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)CCC(C)(C)C(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000427791107 1195876185 /nfs/dbraw/zinc/87/61/85/1195876185.db2.gz VLWPWTDEANXCAL-USTZCAOPSA-N 2 1 376.545 0.833 20 0 GCADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000427867922 1195889649 /nfs/dbraw/zinc/88/96/49/1195889649.db2.gz SUTVBLXIQJXMEV-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000427867922 1195889653 /nfs/dbraw/zinc/88/96/53/1195889653.db2.gz SUTVBLXIQJXMEV-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1)N1CCOCC1 ZINC000428031134 1195905988 /nfs/dbraw/zinc/90/59/88/1195905988.db2.gz JXTVBOLTZVJJQD-LPHOPBHVSA-N 2 1 395.525 0.770 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1)N1CCOCC1 ZINC000428031134 1195905989 /nfs/dbraw/zinc/90/59/89/1195905989.db2.gz JXTVBOLTZVJJQD-LPHOPBHVSA-N 2 1 395.525 0.770 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1)N1CCOCC1 ZINC000428031135 1195906098 /nfs/dbraw/zinc/90/60/98/1195906098.db2.gz JXTVBOLTZVJJQD-QFBILLFUSA-N 2 1 395.525 0.770 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1)N1CCOCC1 ZINC000428031135 1195906101 /nfs/dbraw/zinc/90/61/01/1195906101.db2.gz JXTVBOLTZVJJQD-QFBILLFUSA-N 2 1 395.525 0.770 20 0 GCADMP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474027800 1195932776 /nfs/dbraw/zinc/93/27/76/1195932776.db2.gz AESCSUPTULZNRQ-KRWDZBQOSA-N 2 1 396.580 0.289 20 0 GCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474027800 1195932778 /nfs/dbraw/zinc/93/27/78/1195932778.db2.gz AESCSUPTULZNRQ-KRWDZBQOSA-N 2 1 396.580 0.289 20 0 GCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474027800 1195932781 /nfs/dbraw/zinc/93/27/81/1195932781.db2.gz AESCSUPTULZNRQ-KRWDZBQOSA-N 2 1 396.580 0.289 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000550456291 1195961511 /nfs/dbraw/zinc/96/15/11/1195961511.db2.gz ILRAHEZLKPXJBC-MSOLQXFVSA-N 2 1 398.548 0.029 20 0 GCADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451152381 1195983474 /nfs/dbraw/zinc/98/34/74/1195983474.db2.gz YOUNMVKSMWLQKC-TUFLPTIASA-N 2 1 380.577 0.967 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000550457750 1195984668 /nfs/dbraw/zinc/98/46/68/1195984668.db2.gz NFXNIVGVXBRILG-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000521480979 1195999191 /nfs/dbraw/zinc/99/91/91/1195999191.db2.gz CPYPREWITWORLW-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642180 1196007904 /nfs/dbraw/zinc/00/79/04/1196007904.db2.gz XIXKRFBCDONWPG-FGZHOGPDSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000521642180 1196007907 /nfs/dbraw/zinc/00/79/07/1196007907.db2.gz XIXKRFBCDONWPG-FGZHOGPDSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000521642180 1196007910 /nfs/dbraw/zinc/00/79/10/1196007910.db2.gz XIXKRFBCDONWPG-FGZHOGPDSA-N 2 1 390.572 0.818 20 0 GCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000469764984 1196022597 /nfs/dbraw/zinc/02/25/97/1196022597.db2.gz QRBPNUWZLHTLSW-WBVHZDCISA-N 2 1 387.550 0.425 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCN3C(=O)CNC3=O)CC2)CC1 ZINC000521896932 1196024760 /nfs/dbraw/zinc/02/47/60/1196024760.db2.gz YPSZBKNZEZGSKA-UHFFFAOYSA-N 2 1 379.505 0.241 20 0 GCADMP CN1CCN(C)[C@@H](CNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)C1 ZINC000521922736 1196025315 /nfs/dbraw/zinc/02/53/15/1196025315.db2.gz OXEOCDHOIYCKSA-SFHVURJKSA-N 2 1 384.484 0.888 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521966936 1196027771 /nfs/dbraw/zinc/02/77/71/1196027771.db2.gz JQCQOZXSIJAJTL-AEFFLSMTSA-N 2 1 378.517 0.300 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000521966936 1196027774 /nfs/dbraw/zinc/02/77/74/1196027774.db2.gz JQCQOZXSIJAJTL-AEFFLSMTSA-N 2 1 378.517 0.300 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CC(=O)N3CCOCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578968 1196050104 /nfs/dbraw/zinc/05/01/04/1196050104.db2.gz ZRUGCQMEDBBQQV-WNRNVDISSA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CC(=O)N3CCOCC3)[C@@H]2CC)CC[NH+]1C ZINC001087578968 1196050105 /nfs/dbraw/zinc/05/01/05/1196050105.db2.gz ZRUGCQMEDBBQQV-WNRNVDISSA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087578968 1196050107 /nfs/dbraw/zinc/05/01/07/1196050107.db2.gz ZRUGCQMEDBBQQV-WNRNVDISSA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CC(=O)N1CCOCC1 ZINC001087578968 1196050108 /nfs/dbraw/zinc/05/01/08/1196050108.db2.gz ZRUGCQMEDBBQQV-WNRNVDISSA-N 2 1 380.533 0.545 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000550480382 1196052157 /nfs/dbraw/zinc/05/21/57/1196052157.db2.gz DMKOPHYKQQFMTL-SFHVURJKSA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550519387 1196071504 /nfs/dbraw/zinc/07/15/04/1196071504.db2.gz NPXUBIWGRVYADP-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550519387 1196071505 /nfs/dbraw/zinc/07/15/05/1196071505.db2.gz NPXUBIWGRVYADP-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550519387 1196071508 /nfs/dbraw/zinc/07/15/08/1196071508.db2.gz NPXUBIWGRVYADP-FUHWJXTLSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550580951 1196092658 /nfs/dbraw/zinc/09/26/58/1196092658.db2.gz DZOMDRYUYCFMSD-ULQDDVLXSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550580951 1196092659 /nfs/dbraw/zinc/09/26/59/1196092659.db2.gz DZOMDRYUYCFMSD-ULQDDVLXSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550580951 1196092663 /nfs/dbraw/zinc/09/26/63/1196092663.db2.gz DZOMDRYUYCFMSD-ULQDDVLXSA-N 2 1 382.549 0.791 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000895605816 1196104233 /nfs/dbraw/zinc/10/42/33/1196104233.db2.gz AEEFCEPKXBSBTQ-UHFFFAOYSA-N 2 1 388.516 0.216 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114591365 1196106644 /nfs/dbraw/zinc/10/66/44/1196106644.db2.gz BLPICGWGVFJQKI-RTBURBONSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114591365 1196106645 /nfs/dbraw/zinc/10/66/45/1196106645.db2.gz BLPICGWGVFJQKI-RTBURBONSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114591365 1196106648 /nfs/dbraw/zinc/10/66/48/1196106648.db2.gz BLPICGWGVFJQKI-RTBURBONSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000114591366 1196106719 /nfs/dbraw/zinc/10/67/19/1196106719.db2.gz BLPICGWGVFJQKI-RBUKOAKNSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114591366 1196106720 /nfs/dbraw/zinc/10/67/20/1196106720.db2.gz BLPICGWGVFJQKI-RBUKOAKNSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000114591366 1196106721 /nfs/dbraw/zinc/10/67/21/1196106721.db2.gz BLPICGWGVFJQKI-RBUKOAKNSA-N 2 1 383.581 0.796 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000895739759 1196110613 /nfs/dbraw/zinc/11/06/13/1196110613.db2.gz JAKURJGWCNLSQU-TUVASFSCSA-N 2 1 378.525 0.939 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@@H]2C)n1 ZINC000895739759 1196110616 /nfs/dbraw/zinc/11/06/16/1196110616.db2.gz JAKURJGWCNLSQU-TUVASFSCSA-N 2 1 378.525 0.939 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@@H]2C)n1 ZINC000895739759 1196110619 /nfs/dbraw/zinc/11/06/19/1196110619.db2.gz JAKURJGWCNLSQU-TUVASFSCSA-N 2 1 378.525 0.939 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NC1CC([NH+]2CCCCC2)C1 ZINC000474374411 1196112729 /nfs/dbraw/zinc/11/27/29/1196112729.db2.gz OZFJFKAZOSZKEU-UHFFFAOYSA-N 2 1 381.565 0.693 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC000840298491 1196115643 /nfs/dbraw/zinc/11/56/43/1196115643.db2.gz KJTINTAEQIMDTK-NVXWUHKLSA-N 2 1 382.505 0.376 20 0 GCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896235005 1196134743 /nfs/dbraw/zinc/13/47/43/1196134743.db2.gz CJOQRKQOMAWWDN-SFHVURJKSA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000896235004 1196134930 /nfs/dbraw/zinc/13/49/30/1196134930.db2.gz CJOQRKQOMAWWDN-GOSISDBHSA-N 2 1 395.548 0.291 20 0 GCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468166 1196149543 /nfs/dbraw/zinc/14/95/43/1196149543.db2.gz NBKQBZWWTDMKJL-IPMKNSEASA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896468166 1196149546 /nfs/dbraw/zinc/14/95/46/1196149546.db2.gz NBKQBZWWTDMKJL-IPMKNSEASA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896468166 1196149550 /nfs/dbraw/zinc/14/95/50/1196149550.db2.gz NBKQBZWWTDMKJL-IPMKNSEASA-N 2 1 379.549 0.661 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000102675262 1196152017 /nfs/dbraw/zinc/15/20/17/1196152017.db2.gz INYNLVXRSGUVAJ-CQSZACIVSA-N 2 1 382.530 0.927 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000102675262 1196152019 /nfs/dbraw/zinc/15/20/19/1196152019.db2.gz INYNLVXRSGUVAJ-CQSZACIVSA-N 2 1 382.530 0.927 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153582 /nfs/dbraw/zinc/15/35/82/1196153582.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153584 /nfs/dbraw/zinc/15/35/84/1196153584.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532876 1196153586 /nfs/dbraw/zinc/15/35/86/1196153586.db2.gz NBGGMGMRUHQUHP-NBYUQASBSA-N 2 1 390.576 0.985 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564869 1196165330 /nfs/dbraw/zinc/16/53/30/1196165330.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000896564869 1196165332 /nfs/dbraw/zinc/16/53/32/1196165332.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000896564869 1196165333 /nfs/dbraw/zinc/16/53/33/1196165333.db2.gz TZZJWYUUYHYVEG-MLHJIOFPSA-N 2 1 379.549 0.070 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564867 1196165362 /nfs/dbraw/zinc/16/53/62/1196165362.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)CC1=O ZINC000896564867 1196165364 /nfs/dbraw/zinc/16/53/64/1196165364.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000896564867 1196165366 /nfs/dbraw/zinc/16/53/66/1196165366.db2.gz TZZJWYUUYHYVEG-BRSBDYLESA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000329178970 1196172265 /nfs/dbraw/zinc/17/22/65/1196172265.db2.gz CWOWXCQGOCJCPA-PJVZLEMVSA-N 2 1 396.576 0.725 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000329178970 1196172266 /nfs/dbraw/zinc/17/22/66/1196172266.db2.gz CWOWXCQGOCJCPA-PJVZLEMVSA-N 2 1 396.576 0.725 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000329178970 1196172272 /nfs/dbraw/zinc/17/22/72/1196172272.db2.gz CWOWXCQGOCJCPA-PJVZLEMVSA-N 2 1 396.576 0.725 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(C(=O)COCC(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000329234802 1196178899 /nfs/dbraw/zinc/17/88/99/1196178899.db2.gz MYNWQLVSRHZWFH-WOJBJXKFSA-N 2 1 378.517 0.111 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@H](C)C1 ZINC000665460578 1196183760 /nfs/dbraw/zinc/18/37/60/1196183760.db2.gz OSOQZUFPEATFMO-IAGOWNOFSA-N 2 1 382.549 0.974 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@H](C)C1 ZINC000665460580 1196183827 /nfs/dbraw/zinc/18/38/27/1196183827.db2.gz OSOQZUFPEATFMO-SJORKVTESA-N 2 1 382.549 0.974 20 0 GCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329359404 1196188665 /nfs/dbraw/zinc/18/86/65/1196188665.db2.gz BVRMXNOGJZUAPU-MSOLQXFVSA-N 2 1 380.533 0.500 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329359404 1196188668 /nfs/dbraw/zinc/18/86/68/1196188668.db2.gz BVRMXNOGJZUAPU-MSOLQXFVSA-N 2 1 380.533 0.500 20 0 GCADMP CCn1nnc(C)c1C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011935 1196217177 /nfs/dbraw/zinc/21/71/77/1196217177.db2.gz KOLACIRHPXECCX-VYCZESIESA-N 2 1 390.532 0.606 20 0 GCADMP CCn1nnc(C)c1C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011935 1196217180 /nfs/dbraw/zinc/21/71/80/1196217180.db2.gz KOLACIRHPXECCX-VYCZESIESA-N 2 1 390.532 0.606 20 0 GCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011935 1196217182 /nfs/dbraw/zinc/21/71/82/1196217182.db2.gz KOLACIRHPXECCX-VYCZESIESA-N 2 1 390.532 0.606 20 0 GCADMP CCn1nnc(C)c1C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@@H]2C1 ZINC001088011935 1196217184 /nfs/dbraw/zinc/21/71/84/1196217184.db2.gz KOLACIRHPXECCX-VYCZESIESA-N 2 1 390.532 0.606 20 0 GCADMP CN(C(=O)C1CCC(O)CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329978323 1196243728 /nfs/dbraw/zinc/24/37/28/1196243728.db2.gz HIEFZLWYCMGZOB-UHFFFAOYSA-N 2 1 380.533 0.234 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122402 1196254297 /nfs/dbraw/zinc/25/42/97/1196254297.db2.gz KHXQXADFBFDAKW-CEXWTWQISA-N 2 1 392.544 0.642 20 0 GCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122402 1196254300 /nfs/dbraw/zinc/25/43/00/1196254300.db2.gz KHXQXADFBFDAKW-CEXWTWQISA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122402 1196254304 /nfs/dbraw/zinc/25/43/04/1196254304.db2.gz KHXQXADFBFDAKW-CEXWTWQISA-N 2 1 392.544 0.642 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)[nH]n1 ZINC000665529948 1196304528 /nfs/dbraw/zinc/30/45/28/1196304528.db2.gz YPNLZZJUIBGYAL-GJZGRUSLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)n[nH]1 ZINC000665529948 1196304533 /nfs/dbraw/zinc/30/45/33/1196304533.db2.gz YPNLZZJUIBGYAL-GJZGRUSLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)n[nH]1 ZINC000665529948 1196304536 /nfs/dbraw/zinc/30/45/36/1196304536.db2.gz YPNLZZJUIBGYAL-GJZGRUSLSA-N 2 1 376.505 0.838 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)/C=C/c1ccc(S(N)(=O)=O)cc1 ZINC000281759371 1196329715 /nfs/dbraw/zinc/32/97/15/1196329715.db2.gz YYBQQKWHLLEDPA-RMKNXTFCSA-N 2 1 394.541 0.832 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1 ZINC000444176082 1196357474 /nfs/dbraw/zinc/35/74/74/1196357474.db2.gz NKORYHJTPAPOBQ-RXVVDRJESA-N 2 1 386.496 0.963 20 0 GCADMP CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000444234772 1196366938 /nfs/dbraw/zinc/36/69/38/1196366938.db2.gz FHDBNORYAOXXMJ-RBUKOAKNSA-N 2 1 393.576 0.556 20 0 GCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1(C)C ZINC000444261463 1196369150 /nfs/dbraw/zinc/36/91/50/1196369150.db2.gz YBOROJNGGKTLKA-KUHUBIRLSA-N 2 1 376.505 0.724 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985978 1196373613 /nfs/dbraw/zinc/37/36/13/1196373613.db2.gz YFMLRHLLJXEPNG-UXHICEINSA-N 2 1 389.544 0.995 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccco1 ZINC000103297799 1196374561 /nfs/dbraw/zinc/37/45/61/1196374561.db2.gz CBNUTQBXIQLTOC-INIZCTEOSA-N 2 1 377.489 0.832 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000475125215 1196381957 /nfs/dbraw/zinc/38/19/57/1196381957.db2.gz PBFHYIVJLBCEPP-INIZCTEOSA-N 2 1 381.521 0.080 20 0 GCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000523120516 1196489409 /nfs/dbraw/zinc/48/94/09/1196489409.db2.gz RFEOADBOCPLAOK-INIZCTEOSA-N 2 1 375.473 0.143 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208163 1196502389 /nfs/dbraw/zinc/50/23/89/1196502389.db2.gz NWIOXLDSCWFYHA-MSOLQXFVSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208163 1196502392 /nfs/dbraw/zinc/50/23/92/1196502392.db2.gz NWIOXLDSCWFYHA-MSOLQXFVSA-N 2 1 397.564 0.585 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000671034698 1196576417 /nfs/dbraw/zinc/57/64/17/1196576417.db2.gz NDJXAPNUEKQFOB-QGZVFWFLSA-N 2 1 381.565 0.367 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000524137365 1196578197 /nfs/dbraw/zinc/57/81/97/1196578197.db2.gz RGIDUGGETVAAIU-TVFCKZIOSA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000524137365 1196578199 /nfs/dbraw/zinc/57/81/99/1196578199.db2.gz RGIDUGGETVAAIU-TVFCKZIOSA-N 2 1 382.549 0.824 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000446050316 1196610456 /nfs/dbraw/zinc/61/04/56/1196610456.db2.gz FTFMJLUVEUJQKK-QGZVFWFLSA-N 2 1 389.544 0.729 20 0 GCADMP C[C@]1(CO)C[C@H](O)CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000639852174 1196614796 /nfs/dbraw/zinc/61/47/96/1196614796.db2.gz DOPQIIVJCOHOPJ-PKOBYXMFSA-N 2 1 379.526 0.992 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000446464787 1196643578 /nfs/dbraw/zinc/64/35/78/1196643578.db2.gz RWRFKFQLVMMCFP-LJQANCHMSA-N 2 1 392.544 0.690 20 0 GCADMP C[NH+](C)CCOCCNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000526074933 1196737783 /nfs/dbraw/zinc/73/77/83/1196737783.db2.gz AINOODGFOHNNOM-INIZCTEOSA-N 2 1 383.562 0.914 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000448149282 1196777712 /nfs/dbraw/zinc/77/77/12/1196777712.db2.gz VFUKJFMIKGQBAZ-SFHVURJKSA-N 2 1 383.581 0.796 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000448149282 1196777715 /nfs/dbraw/zinc/77/77/15/1196777715.db2.gz VFUKJFMIKGQBAZ-SFHVURJKSA-N 2 1 383.581 0.796 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000448149282 1196777717 /nfs/dbraw/zinc/77/77/17/1196777717.db2.gz VFUKJFMIKGQBAZ-SFHVURJKSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H]1CN(C)C[C@@H](c2nnc(N3CCC(C)(N4CCOCC4)CC3)n2C)O1 ZINC000624792144 1196781474 /nfs/dbraw/zinc/78/14/74/1196781474.db2.gz OOUYBNDJCPYRCL-CVEARBPZSA-N 2 1 378.521 0.898 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000448532775 1196813549 /nfs/dbraw/zinc/81/35/49/1196813549.db2.gz PBXHAVXCNXWRGG-QGZVFWFLSA-N 2 1 384.484 0.774 20 0 GCADMP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000529374605 1196919969 /nfs/dbraw/zinc/91/99/69/1196919969.db2.gz GEGSDRQBVSKXKE-UHOSZYNNSA-N 2 1 381.565 0.953 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[NH+](C)C1CC1 ZINC000451087844 1196969651 /nfs/dbraw/zinc/96/96/51/1196969651.db2.gz VLYHZZKTPWTFFJ-LSTHTHJFSA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451087844 1196969653 /nfs/dbraw/zinc/96/96/53/1196969653.db2.gz VLYHZZKTPWTFFJ-LSTHTHJFSA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000451087844 1196969656 /nfs/dbraw/zinc/96/96/56/1196969656.db2.gz VLYHZZKTPWTFFJ-LSTHTHJFSA-N 2 1 382.593 0.681 20 0 GCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000530567124 1196996728 /nfs/dbraw/zinc/99/67/28/1196996728.db2.gz ALBLISOZMVTDLW-HNNXBMFYSA-N 2 1 389.500 0.973 20 0 GCADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000530572107 1196997376 /nfs/dbraw/zinc/99/73/76/1196997376.db2.gz IMEALGLKZMUMJZ-GOSISDBHSA-N 2 1 387.528 0.783 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814794 1197018763 /nfs/dbraw/zinc/01/87/63/1197018763.db2.gz HHYREYUIFHBERD-NQIIRXRSSA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530814794 1197018767 /nfs/dbraw/zinc/01/87/67/1197018767.db2.gz HHYREYUIFHBERD-NQIIRXRSSA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530814794 1197018771 /nfs/dbraw/zinc/01/87/71/1197018771.db2.gz HHYREYUIFHBERD-NQIIRXRSSA-N 2 1 388.512 0.327 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCNS(C)(=O)=O ZINC000531188298 1197051732 /nfs/dbraw/zinc/05/17/32/1197051732.db2.gz PUPFIQFJTWZMKD-UHFFFAOYSA-N 2 1 388.578 0.580 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000531396890 1197073172 /nfs/dbraw/zinc/07/31/72/1197073172.db2.gz BVMZQKSKDHLAER-UHFFFAOYSA-N 2 1 392.500 0.610 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)CC2)CC1 ZINC000376385313 1197074061 /nfs/dbraw/zinc/07/40/61/1197074061.db2.gz LNNONNNTPBYOFP-UHFFFAOYSA-N 2 1 394.608 0.870 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000453805517 1197139047 /nfs/dbraw/zinc/13/90/47/1197139047.db2.gz LSGIYXAVERJQAU-KRWDZBQOSA-N 2 1 376.501 0.692 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@H]3C2)CC[N@H+]1C ZINC000986189764 1197153537 /nfs/dbraw/zinc/15/35/37/1197153537.db2.gz FNHWJKYSRQHMBF-OQIJWPOYSA-N 2 1 376.545 0.975 20 0 GCADMP C[C@@H]1C[NH+](CC2CC[NH+](CCNS(=O)(=O)c3cnn(C)c3)CC2)C[C@@H](C)O1 ZINC000173623674 1197177696 /nfs/dbraw/zinc/17/76/96/1197177696.db2.gz DSIDVZXYPMNQKD-HZPDHXFCSA-N 2 1 399.561 0.520 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000176828499 1197188104 /nfs/dbraw/zinc/18/81/04/1197188104.db2.gz LTTJHGRXCMCNAA-MJGOQNOKSA-N 2 1 392.544 0.642 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000453926214 1197193424 /nfs/dbraw/zinc/19/34/24/1197193424.db2.gz COKCIUDGHNASJV-IYBDPMFKSA-N 2 1 376.501 0.643 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000453926214 1197193425 /nfs/dbraw/zinc/19/34/25/1197193425.db2.gz COKCIUDGHNASJV-IYBDPMFKSA-N 2 1 376.501 0.643 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H](C)[N@H+]1CCO ZINC000453937260 1197230907 /nfs/dbraw/zinc/23/09/07/1197230907.db2.gz OQRMBKKWSHDMGM-IYBDPMFKSA-N 2 1 376.501 0.643 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H](C)[N@@H+]1CCO ZINC000453937260 1197230909 /nfs/dbraw/zinc/23/09/09/1197230909.db2.gz OQRMBKKWSHDMGM-IYBDPMFKSA-N 2 1 376.501 0.643 20 0 GCADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000532448043 1197299059 /nfs/dbraw/zinc/29/90/59/1197299059.db2.gz CYDUWPSVTJLGNZ-DLBZAZTESA-N 2 1 381.546 0.463 20 0 GCADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000532448043 1197299061 /nfs/dbraw/zinc/29/90/61/1197299061.db2.gz CYDUWPSVTJLGNZ-DLBZAZTESA-N 2 1 381.546 0.463 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C)CC[N@H+]1C ZINC000988322839 1197309044 /nfs/dbraw/zinc/30/90/44/1197309044.db2.gz MBMXZTRUHSQJIT-AHCXZYCDSA-N 2 1 380.533 0.543 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319301 1197326699 /nfs/dbraw/zinc/32/66/99/1197326699.db2.gz ICXAGVSEVRSMDT-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319301 1197326701 /nfs/dbraw/zinc/32/67/01/1197326701.db2.gz ICXAGVSEVRSMDT-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319301 1197326706 /nfs/dbraw/zinc/32/67/06/1197326706.db2.gz ICXAGVSEVRSMDT-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000111663523 1197332539 /nfs/dbraw/zinc/33/25/39/1197332539.db2.gz NACZDQQQWJLHKR-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000111663523 1197332541 /nfs/dbraw/zinc/33/25/41/1197332541.db2.gz NACZDQQQWJLHKR-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897462056 1197337909 /nfs/dbraw/zinc/33/79/09/1197337909.db2.gz DXBYPIMEFDNSLE-IBGZPJMESA-N 2 1 387.528 0.525 20 0 GCADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897462056 1197337912 /nfs/dbraw/zinc/33/79/12/1197337912.db2.gz DXBYPIMEFDNSLE-IBGZPJMESA-N 2 1 387.528 0.525 20 0 GCADMP COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000332969890 1197348368 /nfs/dbraw/zinc/34/83/68/1197348368.db2.gz LHYDNIBUAMVZFB-IRXDYDNUSA-N 2 1 381.521 0.045 20 0 GCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000332969890 1197348370 /nfs/dbraw/zinc/34/83/70/1197348370.db2.gz LHYDNIBUAMVZFB-IRXDYDNUSA-N 2 1 381.521 0.045 20 0 GCADMP COCC[NH+]1CCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000332969890 1197348371 /nfs/dbraw/zinc/34/83/71/1197348371.db2.gz LHYDNIBUAMVZFB-IRXDYDNUSA-N 2 1 381.521 0.045 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000123942217 1197352114 /nfs/dbraw/zinc/35/21/14/1197352114.db2.gz NQZYIWDURXRQPS-CRAIPNDOSA-N 2 1 377.533 0.855 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000123942217 1197352116 /nfs/dbraw/zinc/35/21/16/1197352116.db2.gz NQZYIWDURXRQPS-CRAIPNDOSA-N 2 1 377.533 0.855 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000536539874 1197355915 /nfs/dbraw/zinc/35/59/15/1197355915.db2.gz RVZMUFNXSGMRPQ-FQEVSTJZSA-N 2 1 399.539 0.722 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000536539874 1197355920 /nfs/dbraw/zinc/35/59/20/1197355920.db2.gz RVZMUFNXSGMRPQ-FQEVSTJZSA-N 2 1 399.539 0.722 20 0 GCADMP CC(C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663990 1197366475 /nfs/dbraw/zinc/36/64/75/1197366475.db2.gz SZKUUJBDMHJYDK-QZTJIDSGSA-N 2 1 392.548 0.602 20 0 GCADMP CC(C[NH+]1CCC[C@@H](N2CCNC2=O)C1)C[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663990 1197366478 /nfs/dbraw/zinc/36/64/78/1197366478.db2.gz SZKUUJBDMHJYDK-QZTJIDSGSA-N 2 1 392.548 0.602 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)CC1=O ZINC000133869933 1197384063 /nfs/dbraw/zinc/38/40/63/1197384063.db2.gz YMTAZPMVCNMMPW-GUDVDZBRSA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC000133869933 1197384067 /nfs/dbraw/zinc/38/40/67/1197384067.db2.gz YMTAZPMVCNMMPW-GUDVDZBRSA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC000133869933 1197384071 /nfs/dbraw/zinc/38/40/71/1197384071.db2.gz YMTAZPMVCNMMPW-GUDVDZBRSA-N 2 1 394.560 0.672 20 0 GCADMP Cc1[nH+]ccn1CC(=O)c1cccc(-c2noc([C@H](CO)NC(=O)C[NH3+])n2)c1 ZINC001211958648 1197386785 /nfs/dbraw/zinc/38/67/85/1197386785.db2.gz BLZUBDARQMRZPW-AWEZNQCLSA-N 2 1 384.396 0.233 20 0 GCADMP [NH3+]CC(=O)N[C@@H](CO)c1nc(-c2ccc([C@H]3CCc4c[nH+]cn43)c(F)c2)no1 ZINC001211958832 1197387476 /nfs/dbraw/zinc/38/74/76/1197387476.db2.gz LNIVJSHXMJJIJK-LSDHHAIUSA-N 2 1 386.387 0.716 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666719720 1197390457 /nfs/dbraw/zinc/39/04/57/1197390457.db2.gz ONNGMUFAYRPFKH-CYBMUJFWSA-N 2 1 382.534 0.800 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCc3nnn(C(C)(C)C)n3)[C@@H]2C)CC[N@H+]1C ZINC001088577185 1197394188 /nfs/dbraw/zinc/39/41/88/1197394188.db2.gz FFHJXWCXJZIDGS-FPCVCCKLSA-N 2 1 377.537 0.890 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)[C@@H]2C)CC[NH+]1C ZINC001088577185 1197394191 /nfs/dbraw/zinc/39/41/91/1197394191.db2.gz FFHJXWCXJZIDGS-FPCVCCKLSA-N 2 1 377.537 0.890 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCc3nnn(C(C)(C)C)n3)[C@@H]2C)CC[NH+]1C ZINC001088577185 1197394195 /nfs/dbraw/zinc/39/41/95/1197394195.db2.gz FFHJXWCXJZIDGS-FPCVCCKLSA-N 2 1 377.537 0.890 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@H+]1C ZINC001088577732 1197396828 /nfs/dbraw/zinc/39/68/28/1197396828.db2.gz LRTOCQCFCNDIIL-FPCVCCKLSA-N 2 1 393.532 0.626 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[NH+]1C ZINC001088577732 1197396831 /nfs/dbraw/zinc/39/68/31/1197396831.db2.gz LRTOCQCFCNDIIL-FPCVCCKLSA-N 2 1 393.532 0.626 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[NH+]1C ZINC001088577732 1197396834 /nfs/dbraw/zinc/39/68/34/1197396834.db2.gz LRTOCQCFCNDIIL-FPCVCCKLSA-N 2 1 393.532 0.626 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@H+]1C ZINC001088577876 1197397003 /nfs/dbraw/zinc/39/70/03/1197397003.db2.gz UKMUMERMGXBRBE-TUVASFSCSA-N 2 1 379.505 0.236 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[NH+]1C ZINC001088577876 1197397006 /nfs/dbraw/zinc/39/70/06/1197397006.db2.gz UKMUMERMGXBRBE-TUVASFSCSA-N 2 1 379.505 0.236 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[NH+]1C ZINC001088577876 1197397009 /nfs/dbraw/zinc/39/70/09/1197397009.db2.gz UKMUMERMGXBRBE-TUVASFSCSA-N 2 1 379.505 0.236 20 0 GCADMP COc1cc(C[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684259 1197397254 /nfs/dbraw/zinc/39/72/54/1197397254.db2.gz NEBMZJOZGQIPPN-HUUCEWRRSA-N 2 1 379.457 0.521 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1Cc1nc(-c2ccncn2)no1 ZINC001088578142 1197397405 /nfs/dbraw/zinc/39/74/05/1197397405.db2.gz ITMRSSZDEIXJCU-TUVASFSCSA-N 2 1 385.472 0.946 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCN(C)CC1 ZINC000419122794 1197410924 /nfs/dbraw/zinc/41/09/24/1197410924.db2.gz FZTLGTROGJRMKK-SJORKVTESA-N 2 1 381.565 0.269 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)S(C)(=O)=O ZINC000245562305 1197411082 /nfs/dbraw/zinc/41/10/82/1197411082.db2.gz CMUXRPBQIJHKMK-DLBZAZTESA-N 2 1 399.561 0.942 20 0 GCADMP CC(C)N(CCCNC(=O)CN1CC[C@H](C)[C@H](n2ccnc2)C1)S(C)(=O)=O ZINC000245562305 1197411084 /nfs/dbraw/zinc/41/10/84/1197411084.db2.gz CMUXRPBQIJHKMK-DLBZAZTESA-N 2 1 399.561 0.942 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419347127 1197417696 /nfs/dbraw/zinc/41/76/96/1197417696.db2.gz WICAMVQUBWGDTG-IBGZPJMESA-N 2 1 387.528 0.309 20 0 GCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000520796648 1197449103 /nfs/dbraw/zinc/44/91/03/1197449103.db2.gz XEHVSYUJOXEUKZ-VNTMZGSJSA-N 2 1 382.508 0.787 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000246351712 1197465351 /nfs/dbraw/zinc/46/53/51/1197465351.db2.gz DDQFQRZUYMXZJO-QRVBRYPASA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000246351712 1197465354 /nfs/dbraw/zinc/46/53/54/1197465354.db2.gz DDQFQRZUYMXZJO-QRVBRYPASA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC000246351712 1197465357 /nfs/dbraw/zinc/46/53/57/1197465357.db2.gz DDQFQRZUYMXZJO-QRVBRYPASA-N 2 1 394.560 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000246383331 1197466696 /nfs/dbraw/zinc/46/66/96/1197466696.db2.gz HSPSMMRGIPTXBW-FGTMMUONSA-N 2 1 379.549 0.071 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccco1 ZINC000246932674 1197474975 /nfs/dbraw/zinc/47/49/75/1197474975.db2.gz GPIFSTKWMZOHRI-JKSUJKDBSA-N 2 1 377.489 0.830 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)c1ccco1 ZINC000246932674 1197474977 /nfs/dbraw/zinc/47/49/77/1197474977.db2.gz GPIFSTKWMZOHRI-JKSUJKDBSA-N 2 1 377.489 0.830 20 0 GCADMP OC(C[NH+]1CCC[C@@H](Cn2ccnn2)C1)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000248740982 1197479902 /nfs/dbraw/zinc/47/99/02/1197479902.db2.gz PSCFWVKWTJFNSP-QZTJIDSGSA-N 2 1 388.520 0.355 20 0 GCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000614909695 1197486759 /nfs/dbraw/zinc/48/67/59/1197486759.db2.gz WFRHVHUKHFJNEZ-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000261743395 1197512957 /nfs/dbraw/zinc/51/29/57/1197512957.db2.gz PKSNCQMSEZWKAG-GOSISDBHSA-N 2 1 383.514 0.757 20 0 GCADMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261787459 1197514530 /nfs/dbraw/zinc/51/45/30/1197514530.db2.gz HYTLMQZWKMEWNN-HKUYNNGSSA-N 2 1 388.512 0.892 20 0 GCADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261866265 1197516821 /nfs/dbraw/zinc/51/68/21/1197516821.db2.gz NOCIAYOYPDUGLC-UKRRQHHQSA-N 2 1 375.498 0.836 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261866265 1197516824 /nfs/dbraw/zinc/51/68/24/1197516824.db2.gz NOCIAYOYPDUGLC-UKRRQHHQSA-N 2 1 375.498 0.836 20 0 GCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261873036 1197516984 /nfs/dbraw/zinc/51/69/84/1197516984.db2.gz OICYGGKGUZHAQH-QZTJIDSGSA-N 2 1 379.549 0.121 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261884596 1197517592 /nfs/dbraw/zinc/51/75/92/1197517592.db2.gz PRUJTZRTPLBWPV-BFHYXJOUSA-N 2 1 376.423 0.730 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261884596 1197517596 /nfs/dbraw/zinc/51/75/96/1197517596.db2.gz PRUJTZRTPLBWPV-BFHYXJOUSA-N 2 1 376.423 0.730 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916392 1197519491 /nfs/dbraw/zinc/51/94/91/1197519491.db2.gz UKWGRCOLFMHBDO-ZBFHGGJFSA-N 2 1 388.468 0.934 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916392 1197519494 /nfs/dbraw/zinc/51/94/94/1197519494.db2.gz UKWGRCOLFMHBDO-ZBFHGGJFSA-N 2 1 388.468 0.934 20 0 GCADMP COc1ccc(CN(CCC(=O)N2CCNCC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000261977079 1197521832 /nfs/dbraw/zinc/52/18/32/1197521832.db2.gz BTNLYOSZNPHLLY-KRWDZBQOSA-N 2 1 395.525 0.506 20 0 GCADMP O=C(CC[N@@H+]1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000262014557 1197522859 /nfs/dbraw/zinc/52/28/59/1197522859.db2.gz FRZKNJHANDFXLP-INIZCTEOSA-N 2 1 398.504 0.390 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(OC)c1OCC(N)=O ZINC000262136810 1197526119 /nfs/dbraw/zinc/52/61/19/1197526119.db2.gz OVGPFSKPBUTFKM-HNNXBMFYSA-N 2 1 378.473 0.047 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262150583 1197526297 /nfs/dbraw/zinc/52/62/97/1197526297.db2.gz PDYKYINMKQPVAP-UHFFFAOYSA-N 2 1 378.448 0.171 20 0 GCADMP O=C(CC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)N1CC[NH2+]CC1 ZINC000262202219 1197528622 /nfs/dbraw/zinc/52/86/22/1197528622.db2.gz SJJGVJCMYITOJN-IBGZPJMESA-N 2 1 385.512 0.231 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010156 1199002460 /nfs/dbraw/zinc/00/24/60/1199002460.db2.gz UITUJQSKQAFGSL-QFBILLFUSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010156 1199002468 /nfs/dbraw/zinc/00/24/68/1199002468.db2.gz UITUJQSKQAFGSL-QFBILLFUSA-N 2 1 393.576 0.460 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000465672326 1199016979 /nfs/dbraw/zinc/01/69/79/1199016979.db2.gz WESRZRLQUZOJFZ-GOSISDBHSA-N 2 1 397.564 0.681 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000655974155 1199019298 /nfs/dbraw/zinc/01/92/98/1199019298.db2.gz NGQNQVONOMGDHV-RCCFBDPRSA-N 2 1 377.533 0.857 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108548249 1199057591 /nfs/dbraw/zinc/05/75/91/1199057591.db2.gz PSQRKBGWHWFQOS-SFHVURJKSA-N 2 1 387.532 0.772 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108548249 1199057595 /nfs/dbraw/zinc/05/75/95/1199057595.db2.gz PSQRKBGWHWFQOS-SFHVURJKSA-N 2 1 387.532 0.772 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC000656028635 1199065829 /nfs/dbraw/zinc/06/58/29/1199065829.db2.gz NZTBEZPTMQTUSI-GFEQUFNTSA-N 2 1 392.544 0.864 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 ZINC000672099393 1199090087 /nfs/dbraw/zinc/09/00/87/1199090087.db2.gz PEPMVLDWGXAUCU-KRWDZBQOSA-N 2 1 397.564 0.236 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000265744151 1199106735 /nfs/dbraw/zinc/10/67/35/1199106735.db2.gz NTECERHKTNPXOW-RTBURBONSA-N 2 1 376.501 0.426 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000265744151 1199106738 /nfs/dbraw/zinc/10/67/38/1199106738.db2.gz NTECERHKTNPXOW-RTBURBONSA-N 2 1 376.501 0.426 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000265744151 1199106744 /nfs/dbraw/zinc/10/67/44/1199106744.db2.gz NTECERHKTNPXOW-RTBURBONSA-N 2 1 376.501 0.426 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672118339 1199124399 /nfs/dbraw/zinc/12/43/99/1199124399.db2.gz ULIRUQQLJLXUOY-UHOSZYNNSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672118339 1199124405 /nfs/dbraw/zinc/12/44/05/1199124405.db2.gz ULIRUQQLJLXUOY-UHOSZYNNSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000672118339 1199124409 /nfs/dbraw/zinc/12/44/09/1199124409.db2.gz ULIRUQQLJLXUOY-UHOSZYNNSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672118339 1199124413 /nfs/dbraw/zinc/12/44/13/1199124413.db2.gz ULIRUQQLJLXUOY-UHOSZYNNSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672118340 1199124453 /nfs/dbraw/zinc/12/44/53/1199124453.db2.gz ULIRUQQLJLXUOY-WDSOQIARSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000672118340 1199124457 /nfs/dbraw/zinc/12/44/57/1199124457.db2.gz ULIRUQQLJLXUOY-WDSOQIARSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000672118340 1199124462 /nfs/dbraw/zinc/12/44/62/1199124462.db2.gz ULIRUQQLJLXUOY-WDSOQIARSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672118340 1199124465 /nfs/dbraw/zinc/12/44/65/1199124465.db2.gz ULIRUQQLJLXUOY-WDSOQIARSA-N 2 1 388.512 0.460 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000465894864 1199156579 /nfs/dbraw/zinc/15/65/79/1199156579.db2.gz BMTZAJDZMWOKRN-MOPGFXCFSA-N 3 1 382.597 0.680 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000465894864 1199156586 /nfs/dbraw/zinc/15/65/86/1199156586.db2.gz BMTZAJDZMWOKRN-MOPGFXCFSA-N 2 1 382.597 0.680 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000465894864 1199156588 /nfs/dbraw/zinc/15/65/88/1199156588.db2.gz BMTZAJDZMWOKRN-MOPGFXCFSA-N 2 1 382.597 0.680 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672204344 1199159140 /nfs/dbraw/zinc/15/91/40/1199159140.db2.gz LPDQRVYMKYARFI-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672204344 1199159142 /nfs/dbraw/zinc/15/91/42/1199159142.db2.gz LPDQRVYMKYARFI-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204344 1199159147 /nfs/dbraw/zinc/15/91/47/1199159147.db2.gz LPDQRVYMKYARFI-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000265777145 1199170073 /nfs/dbraw/zinc/17/00/73/1199170073.db2.gz UPIGQCSTNZXSGR-MSOLQXFVSA-N 2 1 375.517 0.798 20 0 GCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926062 1199183247 /nfs/dbraw/zinc/18/32/47/1199183247.db2.gz HFSBOLYQNNQZFL-OALUTQOASA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926062 1199183249 /nfs/dbraw/zinc/18/32/49/1199183249.db2.gz HFSBOLYQNNQZFL-OALUTQOASA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926062 1199183251 /nfs/dbraw/zinc/18/32/51/1199183251.db2.gz HFSBOLYQNNQZFL-OALUTQOASA-N 2 1 381.565 0.645 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000672278694 1199186229 /nfs/dbraw/zinc/18/62/29/1199186229.db2.gz HZOXUWWVGPHIBX-JQHSSLGASA-N 2 1 380.533 0.687 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308874 1199199308 /nfs/dbraw/zinc/19/93/08/1199199308.db2.gz BMSHXEXWNSVTDH-KRWDZBQOSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672308874 1199199313 /nfs/dbraw/zinc/19/93/13/1199199313.db2.gz BMSHXEXWNSVTDH-KRWDZBQOSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000672308874 1199199314 /nfs/dbraw/zinc/19/93/14/1199199314.db2.gz BMSHXEXWNSVTDH-KRWDZBQOSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672308874 1199199318 /nfs/dbraw/zinc/19/93/18/1199199318.db2.gz BMSHXEXWNSVTDH-KRWDZBQOSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308874 1199199320 /nfs/dbraw/zinc/19/93/20/1199199320.db2.gz BMSHXEXWNSVTDH-KRWDZBQOSA-N 2 1 379.549 0.071 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000672308258 1199199374 /nfs/dbraw/zinc/19/93/74/1199199374.db2.gz GWKGEZIUVMRBFW-ROUUACIJSA-N 2 1 378.517 0.158 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000672311219 1199201314 /nfs/dbraw/zinc/20/13/14/1199201314.db2.gz BALXTPFAOIKMOU-WDSOQIARSA-N 2 1 394.560 0.840 20 0 GCADMP Cn1cc(N2CCC[C@H]([NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)C2=O)cn1 ZINC000172771799 1199204072 /nfs/dbraw/zinc/20/40/72/1199204072.db2.gz WKBNOTXXQZKFLC-KRWDZBQOSA-N 2 1 376.505 0.305 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672311567 1199204997 /nfs/dbraw/zinc/20/49/97/1199204997.db2.gz JDGFXQXDHXRFQK-QZTJIDSGSA-N 2 1 380.533 0.546 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000465949331 1199214354 /nfs/dbraw/zinc/21/43/54/1199214354.db2.gz DZKCCGPEPOVJPD-KRWDZBQOSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949331 1199214357 /nfs/dbraw/zinc/21/43/57/1199214357.db2.gz DZKCCGPEPOVJPD-KRWDZBQOSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949331 1199214362 /nfs/dbraw/zinc/21/43/62/1199214362.db2.gz DZKCCGPEPOVJPD-KRWDZBQOSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949331 1199214366 /nfs/dbraw/zinc/21/43/66/1199214366.db2.gz DZKCCGPEPOVJPD-KRWDZBQOSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949331 1199214368 /nfs/dbraw/zinc/21/43/68/1199214368.db2.gz DZKCCGPEPOVJPD-KRWDZBQOSA-N 2 1 396.580 0.241 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952941 1199218767 /nfs/dbraw/zinc/21/87/67/1199218767.db2.gz SGFWBGSUMHFOJT-ZWKOTPCHSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952941 1199218769 /nfs/dbraw/zinc/21/87/69/1199218769.db2.gz SGFWBGSUMHFOJT-ZWKOTPCHSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952941 1199218772 /nfs/dbraw/zinc/21/87/72/1199218772.db2.gz SGFWBGSUMHFOJT-ZWKOTPCHSA-N 2 1 396.580 0.147 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957397 1199226302 /nfs/dbraw/zinc/22/63/02/1199226302.db2.gz QBBSQWMYAHMWAB-MSOLQXFVSA-N 2 1 396.580 0.145 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC000465957397 1199226305 /nfs/dbraw/zinc/22/63/05/1199226305.db2.gz QBBSQWMYAHMWAB-MSOLQXFVSA-N 2 1 396.580 0.145 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000672593669 1199276034 /nfs/dbraw/zinc/27/60/34/1199276034.db2.gz KBVIZTFXSCFCDT-SFFUCWETSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000672593669 1199276036 /nfs/dbraw/zinc/27/60/36/1199276036.db2.gz KBVIZTFXSCFCDT-SFFUCWETSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000672593669 1199276039 /nfs/dbraw/zinc/27/60/39/1199276039.db2.gz KBVIZTFXSCFCDT-SFFUCWETSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000672593669 1199276041 /nfs/dbraw/zinc/27/60/41/1199276041.db2.gz KBVIZTFXSCFCDT-SFFUCWETSA-N 2 1 380.533 0.686 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639544 1199291236 /nfs/dbraw/zinc/29/12/36/1199291236.db2.gz QDZJWBRFJIVVFR-ZWKOTPCHSA-N 2 1 391.560 0.215 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639544 1199291242 /nfs/dbraw/zinc/29/12/42/1199291242.db2.gz QDZJWBRFJIVVFR-ZWKOTPCHSA-N 2 1 391.560 0.215 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639078 1199293047 /nfs/dbraw/zinc/29/30/47/1199293047.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639078 1199293053 /nfs/dbraw/zinc/29/30/53/1199293053.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639078 1199293063 /nfs/dbraw/zinc/29/30/63/1199293063.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672639078 1199293067 /nfs/dbraw/zinc/29/30/67/1199293067.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672639078 1199293072 /nfs/dbraw/zinc/29/30/72/1199293072.db2.gz YOMNUBZJBRPQFQ-IRXDYDNUSA-N 2 1 379.549 0.119 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640419 1199294723 /nfs/dbraw/zinc/29/47/23/1199294723.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640419 1199294725 /nfs/dbraw/zinc/29/47/25/1199294725.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640419 1199294727 /nfs/dbraw/zinc/29/47/27/1199294727.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640419 1199294729 /nfs/dbraw/zinc/29/47/29/1199294729.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640419 1199294732 /nfs/dbraw/zinc/29/47/32/1199294732.db2.gz DSHBYTKSWRQXOM-RDJZCZTQSA-N 2 1 377.533 0.038 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641307 1199297866 /nfs/dbraw/zinc/29/78/66/1199297866.db2.gz OYUOYBQBLVUMGE-QGZVFWFLSA-N 2 1 391.560 0.262 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000672641307 1199297872 /nfs/dbraw/zinc/29/78/72/1199297872.db2.gz OYUOYBQBLVUMGE-QGZVFWFLSA-N 2 1 391.560 0.262 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642562 1199300724 /nfs/dbraw/zinc/30/07/24/1199300724.db2.gz CQOQSDZSMXSPEP-HKUYNNGSSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642562 1199300727 /nfs/dbraw/zinc/30/07/27/1199300727.db2.gz CQOQSDZSMXSPEP-HKUYNNGSSA-N 2 1 391.560 0.358 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642950 1199302532 /nfs/dbraw/zinc/30/25/32/1199302532.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642950 1199302534 /nfs/dbraw/zinc/30/25/34/1199302534.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642950 1199302541 /nfs/dbraw/zinc/30/25/41/1199302541.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642950 1199302544 /nfs/dbraw/zinc/30/25/44/1199302544.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642950 1199302547 /nfs/dbraw/zinc/30/25/47/1199302547.db2.gz YNFGHJIABVSBOJ-FGTMMUONSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643006 1199305811 /nfs/dbraw/zinc/30/58/11/1199305811.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643006 1199305819 /nfs/dbraw/zinc/30/58/19/1199305819.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643006 1199305824 /nfs/dbraw/zinc/30/58/24/1199305824.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643006 1199305828 /nfs/dbraw/zinc/30/58/28/1199305828.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643006 1199305833 /nfs/dbraw/zinc/30/58/33/1199305833.db2.gz MLHWMPUOEILGLU-OWCLPIDISA-N 2 1 377.533 0.013 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672655599 1199310244 /nfs/dbraw/zinc/31/02/44/1199310244.db2.gz MDDKRYVDYARNBS-IBGZPJMESA-N 2 1 394.560 0.938 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672692648 1199317543 /nfs/dbraw/zinc/31/75/43/1199317543.db2.gz HIHOPNDJQWGLLR-PKOBYXMFSA-N 2 1 393.576 0.604 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672692648 1199317549 /nfs/dbraw/zinc/31/75/49/1199317549.db2.gz HIHOPNDJQWGLLR-PKOBYXMFSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000466001449 1199335778 /nfs/dbraw/zinc/33/57/78/1199335778.db2.gz XDXCMHICZPWJDI-ZWKOTPCHSA-N 2 1 381.565 0.670 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000466147496 1199495742 /nfs/dbraw/zinc/49/57/42/1199495742.db2.gz SPBOJRFUBSMJKT-VQTJNVASSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000466147496 1199495746 /nfs/dbraw/zinc/49/57/46/1199495746.db2.gz SPBOJRFUBSMJKT-VQTJNVASSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000466147496 1199495750 /nfs/dbraw/zinc/49/57/50/1199495750.db2.gz SPBOJRFUBSMJKT-VQTJNVASSA-N 3 1 396.624 0.927 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000627346448 1199496168 /nfs/dbraw/zinc/49/61/68/1199496168.db2.gz RAZYNWZRHCACAO-MGPQQGTHSA-N 2 1 394.438 0.057 20 0 GCADMP Cc1ccc(CNC(=O)C(=O)NCCOCC[NH+](C)C)c(N2CCCC2)[nH+]1 ZINC000673257422 1199499540 /nfs/dbraw/zinc/49/95/40/1199499540.db2.gz PHZQGSYXNBHUON-UHFFFAOYSA-N 2 1 377.489 0.301 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673276310 1199516532 /nfs/dbraw/zinc/51/65/32/1199516532.db2.gz BWPQNAGBABNKSV-QAPCUYQASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673276310 1199516537 /nfs/dbraw/zinc/51/65/37/1199516537.db2.gz BWPQNAGBABNKSV-QAPCUYQASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000627349305 1199535791 /nfs/dbraw/zinc/53/57/91/1199535791.db2.gz JFNYZSDYQCSWBY-NMKXLXIOSA-N 2 1 376.423 0.714 20 0 GCADMP Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)c(OCC[NH+](C)C)c1 ZINC000265830192 1199537883 /nfs/dbraw/zinc/53/78/83/1199537883.db2.gz RUDHSYDLCQSUII-INIZCTEOSA-N 2 1 391.516 0.236 20 0 GCADMP CN1CC[NH+](Cc2ccc(CNC(=O)NCC3(O)CC[NH+](C)CC3)cc2)CC1 ZINC000265831511 1199541634 /nfs/dbraw/zinc/54/16/34/1199541634.db2.gz DTUNOTYXCCWUFV-UHFFFAOYSA-N 2 1 389.544 0.690 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)CC1 ZINC000673351598 1199566569 /nfs/dbraw/zinc/56/65/69/1199566569.db2.gz LCHLDCMSQVCEOF-UHFFFAOYSA-N 2 1 390.528 0.724 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCCO1 ZINC000673428058 1199630127 /nfs/dbraw/zinc/63/01/27/1199630127.db2.gz UVMHMFFXZSCFPB-QGZVFWFLSA-N 2 1 394.516 0.787 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000673427675 1199630597 /nfs/dbraw/zinc/63/05/97/1199630597.db2.gz GRMBHUGKXJPGCN-DLBZAZTESA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)O1 ZINC001003708289 1199636209 /nfs/dbraw/zinc/63/62/09/1199636209.db2.gz NJNQTLKJQIYGAM-IEWDOMPSSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCCCC2)O1 ZINC001003708289 1199636213 /nfs/dbraw/zinc/63/62/13/1199636213.db2.gz NJNQTLKJQIYGAM-IEWDOMPSSA-N 2 1 392.544 0.830 20 0 GCADMP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C3)CC1 ZINC001003706580 1199641438 /nfs/dbraw/zinc/64/14/38/1199641438.db2.gz RSYIYPSZJJJFOA-IEWDOMPSSA-N 2 1 392.544 0.686 20 0 GCADMP CC1CC[NH+](CC(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)CC1 ZINC001003706580 1199641442 /nfs/dbraw/zinc/64/14/42/1199641442.db2.gz RSYIYPSZJJJFOA-IEWDOMPSSA-N 2 1 392.544 0.686 20 0 GCADMP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)CC1 ZINC001003746149 1199653593 /nfs/dbraw/zinc/65/35/93/1199653593.db2.gz QBZHFYDUYWGRIS-KURKYZTESA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000673559338 1199798946 /nfs/dbraw/zinc/79/89/46/1199798946.db2.gz QHMLUHZGHILZGN-YJBOKZPZSA-N 2 1 379.505 0.930 20 0 GCADMP C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673559338 1199798949 /nfs/dbraw/zinc/79/89/49/1199798949.db2.gz QHMLUHZGHILZGN-YJBOKZPZSA-N 2 1 379.505 0.930 20 0 GCADMP C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000673559337 1199799098 /nfs/dbraw/zinc/79/90/98/1199799098.db2.gz QHMLUHZGHILZGN-QAPCUYQASA-N 2 1 379.505 0.930 20 0 GCADMP C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000673559337 1199799101 /nfs/dbraw/zinc/79/91/01/1199799101.db2.gz QHMLUHZGHILZGN-QAPCUYQASA-N 2 1 379.505 0.930 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)O1 ZINC001004294834 1199850562 /nfs/dbraw/zinc/85/05/62/1199850562.db2.gz QXXBJPNNCAERAR-HSFUPAIVSA-N 2 1 390.528 0.582 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CCC[NH+]2CCC4)C3)O1 ZINC001004294834 1199850569 /nfs/dbraw/zinc/85/05/69/1199850569.db2.gz QXXBJPNNCAERAR-HSFUPAIVSA-N 2 1 390.528 0.582 20 0 GCADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157467314 1199918324 /nfs/dbraw/zinc/91/83/24/1199918324.db2.gz ILYDWOPKRZFWHP-MSOLQXFVSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)(CO)[NH+]1CCN(CCCCCN2CC[NH+](C(C)(C)CO)CC2)CC1 ZINC000673896752 1199970632 /nfs/dbraw/zinc/97/06/32/1199970632.db2.gz WXHQNPGQENGXJB-UHFFFAOYSA-N 2 1 384.609 0.934 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132557116 1199982944 /nfs/dbraw/zinc/98/29/44/1199982944.db2.gz YWEQVIAGGIGLQZ-RBUKOAKNSA-N 2 1 388.512 0.591 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132557116 1199982945 /nfs/dbraw/zinc/98/29/45/1199982945.db2.gz YWEQVIAGGIGLQZ-RBUKOAKNSA-N 2 1 388.512 0.591 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132557116 1199982947 /nfs/dbraw/zinc/98/29/47/1199982947.db2.gz YWEQVIAGGIGLQZ-RBUKOAKNSA-N 2 1 388.512 0.591 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132557116 1199982949 /nfs/dbraw/zinc/98/29/49/1199982949.db2.gz YWEQVIAGGIGLQZ-RBUKOAKNSA-N 2 1 388.512 0.591 20 0 GCADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625541206 1200019196 /nfs/dbraw/zinc/01/91/96/1200019196.db2.gz WBHJKPBFBGKATF-UHFFFAOYSA-N 2 1 385.534 0.799 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526490 1200404247 /nfs/dbraw/zinc/40/42/47/1200404247.db2.gz YPOHZZRUVUWMMX-SJORKVTESA-N 2 1 391.516 0.237 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccco1 ZINC000670526490 1200404251 /nfs/dbraw/zinc/40/42/51/1200404251.db2.gz YPOHZZRUVUWMMX-SJORKVTESA-N 2 1 391.516 0.237 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC[NH+](C)CC1 ZINC000670527145 1200405203 /nfs/dbraw/zinc/40/52/03/1200405203.db2.gz HBCWVUONWQCMMK-KRWDZBQOSA-N 2 1 394.560 0.984 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000675536160 1200426905 /nfs/dbraw/zinc/42/69/05/1200426905.db2.gz HEKFJCYYGATMCH-KRWDZBQOSA-N 3 1 381.565 0.689 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000675536160 1200426909 /nfs/dbraw/zinc/42/69/09/1200426909.db2.gz HEKFJCYYGATMCH-KRWDZBQOSA-N 2 1 381.565 0.689 20 0 GCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917958 1200468201 /nfs/dbraw/zinc/46/82/01/1200468201.db2.gz KLSOWUCYXVTCHC-MOPGFXCFSA-N 2 1 385.512 0.811 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917958 1200468208 /nfs/dbraw/zinc/46/82/08/1200468208.db2.gz KLSOWUCYXVTCHC-MOPGFXCFSA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675917958 1200468214 /nfs/dbraw/zinc/46/82/14/1200468214.db2.gz KLSOWUCYXVTCHC-MOPGFXCFSA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675917958 1200468220 /nfs/dbraw/zinc/46/82/20/1200468220.db2.gz KLSOWUCYXVTCHC-MOPGFXCFSA-N 2 1 385.512 0.811 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676169278 1200505095 /nfs/dbraw/zinc/50/50/95/1200505095.db2.gz VWAPCFMQQLFAHK-IPMKNSEASA-N 2 1 380.533 0.870 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676303360 1200541618 /nfs/dbraw/zinc/54/16/18/1200541618.db2.gz AOVAPGPJIUBDKY-HQRMLTQVSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676303360 1200541623 /nfs/dbraw/zinc/54/16/23/1200541623.db2.gz AOVAPGPJIUBDKY-HQRMLTQVSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676303360 1200541629 /nfs/dbraw/zinc/54/16/29/1200541629.db2.gz AOVAPGPJIUBDKY-HQRMLTQVSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303360 1200541637 /nfs/dbraw/zinc/54/16/37/1200541637.db2.gz AOVAPGPJIUBDKY-HQRMLTQVSA-N 2 1 376.501 0.642 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000448487326 1200638159 /nfs/dbraw/zinc/63/81/59/1200638159.db2.gz GMABLQPIBHWTIQ-AWEZNQCLSA-N 2 1 378.502 0.864 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000438704436 1200643361 /nfs/dbraw/zinc/64/33/61/1200643361.db2.gz ZMAKZDYIFXVAIC-HXUWFJFHSA-N 2 1 386.500 1.203 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)n2)CC1 ZINC000408369648 1200672817 /nfs/dbraw/zinc/67/28/17/1200672817.db2.gz ACPQUENOXUVGAX-WBVHZDCISA-N 2 1 388.516 1.031 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)NCCCCN3CC[NH+](C)CC3)n2)CC1 ZINC000568157921 1200677192 /nfs/dbraw/zinc/67/71/92/1200677192.db2.gz ZARNNUHUWGEGTM-UHFFFAOYSA-N 2 1 377.537 1.299 20 0 GCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508388 1200680959 /nfs/dbraw/zinc/68/09/59/1200680959.db2.gz SAUCPZWZYGMITF-AEFFLSMTSA-N 2 1 398.511 1.335 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000477094759 1200821505 /nfs/dbraw/zinc/82/15/05/1200821505.db2.gz FIPXUKRCJBGTGE-QGZVFWFLSA-N 2 1 382.549 0.984 20 0 GCADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000603771440 1200863357 /nfs/dbraw/zinc/86/33/57/1200863357.db2.gz KLIYWPJFNKXNLP-KRWDZBQOSA-N 2 1 398.467 0.919 20 0 GCADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283316 1200924673 /nfs/dbraw/zinc/92/46/73/1200924673.db2.gz UVCFPMIPBDNREX-ROUUACIJSA-N 2 1 391.512 0.969 20 0 GCADMP NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369822 1200968860 /nfs/dbraw/zinc/96/88/60/1200968860.db2.gz PNJKIKICIKNDAL-DLBZAZTESA-N 2 1 378.904 0.863 20 0 GCADMP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000923377597 1200973562 /nfs/dbraw/zinc/97/35/62/1200973562.db2.gz ODJOSTGLWQSZLB-MISYRCLQSA-N 2 1 388.512 0.955 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000366004279 1201072046 /nfs/dbraw/zinc/07/20/46/1201072046.db2.gz MXVPQQDVBQMDNI-MRXNPFEDSA-N 2 1 390.532 1.469 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001079152530 1201247054 /nfs/dbraw/zinc/24/70/54/1201247054.db2.gz PYAVETZUZZPEJF-NKGKWGDASA-N 2 1 376.476 0.925 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC3(CC[NH+](CC(=O)N(C)C)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243191 1201251717 /nfs/dbraw/zinc/25/17/17/1201251717.db2.gz QOUDXFDGGYIZHX-ZJPYXAASSA-N 2 1 392.544 0.354 20 0 GCADMP CNC(=O)c1ccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)cc1 ZINC001081691813 1201299458 /nfs/dbraw/zinc/29/94/58/1201299458.db2.gz RXIBJTNCZUWCRE-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)cc1 ZINC001081691813 1201299462 /nfs/dbraw/zinc/29/94/62/1201299462.db2.gz RXIBJTNCZUWCRE-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)cc1 ZINC001081691813 1201299466 /nfs/dbraw/zinc/29/94/66/1201299466.db2.gz RXIBJTNCZUWCRE-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1ccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](OC)C2)cc1 ZINC001081691813 1201299470 /nfs/dbraw/zinc/29/94/70/1201299470.db2.gz RXIBJTNCZUWCRE-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP CO[C@@H]1C[N@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694543 1201300794 /nfs/dbraw/zinc/30/07/94/1201300794.db2.gz IEALJZRWMAFSAR-KLHDSHLOSA-N 2 1 393.536 0.126 20 0 GCADMP CO[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694543 1201300802 /nfs/dbraw/zinc/30/08/02/1201300802.db2.gz IEALJZRWMAFSAR-KLHDSHLOSA-N 2 1 393.536 0.126 20 0 GCADMP CO[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694543 1201300807 /nfs/dbraw/zinc/30/08/07/1201300807.db2.gz IEALJZRWMAFSAR-KLHDSHLOSA-N 2 1 393.536 0.126 20 0 GCADMP CO[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694543 1201300813 /nfs/dbraw/zinc/30/08/13/1201300813.db2.gz IEALJZRWMAFSAR-KLHDSHLOSA-N 2 1 393.536 0.126 20 0 GCADMP COc1ccc(CC[N@@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081848081 1201308575 /nfs/dbraw/zinc/30/85/75/1201308575.db2.gz LGQZTMIAVGGBAZ-HUYLIWGRSA-N 2 1 391.512 0.772 20 0 GCADMP COc1ccc(CC[N@H+]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081848081 1201308578 /nfs/dbraw/zinc/30/85/78/1201308578.db2.gz LGQZTMIAVGGBAZ-HUYLIWGRSA-N 2 1 391.512 0.772 20 0 GCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081848081 1201308583 /nfs/dbraw/zinc/30/85/83/1201308583.db2.gz LGQZTMIAVGGBAZ-HUYLIWGRSA-N 2 1 391.512 0.772 20 0 GCADMP COc1ccc(CC[NH+]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@H](OC)C2)cc1 ZINC001081848081 1201308586 /nfs/dbraw/zinc/30/85/86/1201308586.db2.gz LGQZTMIAVGGBAZ-HUYLIWGRSA-N 2 1 391.512 0.772 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082520238 1201337775 /nfs/dbraw/zinc/33/77/75/1201337775.db2.gz JVEWZDVEKJMYBV-JOCBIADPSA-N 2 1 383.500 0.939 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1-c1ccccc1 ZINC001082520238 1201337780 /nfs/dbraw/zinc/33/77/80/1201337780.db2.gz JVEWZDVEKJMYBV-JOCBIADPSA-N 2 1 383.500 0.939 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082590079 1201338764 /nfs/dbraw/zinc/33/87/64/1201338764.db2.gz BAIDGFLFQMQFBK-BQGCOEIASA-N 2 1 389.500 0.715 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001082590079 1201338774 /nfs/dbraw/zinc/33/87/74/1201338774.db2.gz BAIDGFLFQMQFBK-BQGCOEIASA-N 2 1 389.500 0.715 20 0 GCADMP C[C@H](CCN1CCC[C@H](N2CCNC2=O)C1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663801 1201367673 /nfs/dbraw/zinc/36/76/73/1201367673.db2.gz XKSIHNDSUQGBLO-FGTMMUONSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663801 1201367677 /nfs/dbraw/zinc/36/76/77/1201367677.db2.gz XKSIHNDSUQGBLO-FGTMMUONSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663801 1201367683 /nfs/dbraw/zinc/36/76/83/1201367683.db2.gz XKSIHNDSUQGBLO-FGTMMUONSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[N@@H+]1C ZINC001084354586 1201410174 /nfs/dbraw/zinc/41/01/74/1201410174.db2.gz MAVWVUKJBDABBF-MUIFIZLQSA-N 2 1 384.484 0.396 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[N@H+]1C ZINC001084354586 1201410195 /nfs/dbraw/zinc/41/01/95/1201410195.db2.gz MAVWVUKJBDABBF-MUIFIZLQSA-N 2 1 384.484 0.396 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[NH+]1C ZINC001084354586 1201410198 /nfs/dbraw/zinc/41/01/98/1201410198.db2.gz MAVWVUKJBDABBF-MUIFIZLQSA-N 2 1 384.484 0.396 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[NH+]1C ZINC001084354586 1201410201 /nfs/dbraw/zinc/41/02/01/1201410201.db2.gz MAVWVUKJBDABBF-MUIFIZLQSA-N 2 1 384.484 0.396 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000731502086 1201486035 /nfs/dbraw/zinc/48/60/35/1201486035.db2.gz GJQWYYJNXWFQCU-SJORKVTESA-N 2 1 381.521 0.092 20 0 GCADMP Cn1cc(C(=O)NCC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000282644272 1201617429 /nfs/dbraw/zinc/61/74/29/1201617429.db2.gz BYPIENQFAHGRBM-UHFFFAOYSA-N 2 1 376.505 0.026 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734277547 1201649581 /nfs/dbraw/zinc/64/95/81/1201649581.db2.gz XHIREYXCPMZXFO-SFHVURJKSA-N 2 1 395.548 0.482 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000735588758 1201693969 /nfs/dbraw/zinc/69/39/69/1201693969.db2.gz CKWXUGUKEQSPRR-HZPDHXFCSA-N 2 1 390.484 0.675 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000735592357 1201695069 /nfs/dbraw/zinc/69/50/69/1201695069.db2.gz DRKDLSCVCPMQQJ-SJLPKXTDSA-N 2 1 390.484 0.545 20 0 GCADMP CN(C(=O)COCCOCC(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000741623515 1201781977 /nfs/dbraw/zinc/78/19/77/1201781977.db2.gz CSVBWCNQQBPDQW-QZTJIDSGSA-N 2 1 398.548 0.125 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000743919366 1201828487 /nfs/dbraw/zinc/82/84/87/1201828487.db2.gz HMYAXGQHXYSTED-INIZCTEOSA-N 2 1 389.500 0.214 20 0 GCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000746041496 1201897306 /nfs/dbraw/zinc/89/73/06/1201897306.db2.gz SWLPVHOOCIHXGV-CQSZACIVSA-N 2 1 375.473 0.726 20 0 GCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000746041496 1201897308 /nfs/dbraw/zinc/89/73/08/1201897308.db2.gz SWLPVHOOCIHXGV-CQSZACIVSA-N 2 1 375.473 0.726 20 0 GCADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169162257 1201934052 /nfs/dbraw/zinc/93/40/52/1201934052.db2.gz KZNVSBURWCKCPN-CQSZACIVSA-N 2 1 387.488 0.787 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2nccn2CC1 ZINC001169208579 1201938446 /nfs/dbraw/zinc/93/84/46/1201938446.db2.gz OZWZYJRILIDLKP-OAHLLOKOSA-N 2 1 399.499 0.747 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001169208579 1201938448 /nfs/dbraw/zinc/93/84/48/1201938448.db2.gz OZWZYJRILIDLKP-OAHLLOKOSA-N 2 1 399.499 0.747 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001169208579 1201938450 /nfs/dbraw/zinc/93/84/50/1201938450.db2.gz OZWZYJRILIDLKP-OAHLLOKOSA-N 2 1 399.499 0.747 20 0 GCADMP CCN(CC)C(=O)C[C@@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472459 1201949794 /nfs/dbraw/zinc/94/97/94/1201949794.db2.gz QXFHXWWMIHHNDW-KZNAEPCWSA-N 2 1 382.549 0.744 20 0 GCADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472459 1201949797 /nfs/dbraw/zinc/94/97/97/1201949797.db2.gz QXFHXWWMIHHNDW-KZNAEPCWSA-N 2 1 382.549 0.744 20 0 GCADMP CCN(CC)C(=O)C[C@@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472459 1201949799 /nfs/dbraw/zinc/94/97/99/1201949799.db2.gz QXFHXWWMIHHNDW-KZNAEPCWSA-N 2 1 382.549 0.744 20 0 GCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294247 1202015050 /nfs/dbraw/zinc/01/50/50/1202015050.db2.gz OTEQDEGHZGBCMM-BDXSIMOUSA-N 2 1 377.533 0.757 20 0 GCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109294247 1202015054 /nfs/dbraw/zinc/01/50/54/1202015054.db2.gz OTEQDEGHZGBCMM-BDXSIMOUSA-N 2 1 377.533 0.757 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001109397966 1202037310 /nfs/dbraw/zinc/03/73/10/1202037310.db2.gz QNQPFKJQMQMVAC-YDZRNGNQSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001109397966 1202037314 /nfs/dbraw/zinc/03/73/14/1202037314.db2.gz QNQPFKJQMQMVAC-YDZRNGNQSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001109397966 1202037317 /nfs/dbraw/zinc/03/73/17/1202037317.db2.gz QNQPFKJQMQMVAC-YDZRNGNQSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001109397965 1202037489 /nfs/dbraw/zinc/03/74/89/1202037489.db2.gz QNQPFKJQMQMVAC-XWSJACJDSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001109397965 1202037491 /nfs/dbraw/zinc/03/74/91/1202037491.db2.gz QNQPFKJQMQMVAC-XWSJACJDSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001109397965 1202037495 /nfs/dbraw/zinc/03/74/95/1202037495.db2.gz QNQPFKJQMQMVAC-XWSJACJDSA-N 2 1 381.517 0.360 20 0 GCADMP CNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[C@@H]1CCC[N@H+]1C(C)C)C2 ZINC001109399788 1202037675 /nfs/dbraw/zinc/03/76/75/1202037675.db2.gz XCJIWXWNLPOPLX-FZKCQIBNSA-N 2 1 379.505 0.426 20 0 GCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001109410745 1202039596 /nfs/dbraw/zinc/03/95/96/1202039596.db2.gz SXQYFOVPKWZCOO-BDXSIMOUSA-N 2 1 378.517 0.176 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001109410745 1202039597 /nfs/dbraw/zinc/03/95/97/1202039597.db2.gz SXQYFOVPKWZCOO-BDXSIMOUSA-N 2 1 378.517 0.176 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O)C1CCC1 ZINC001109410745 1202039600 /nfs/dbraw/zinc/03/96/00/1202039600.db2.gz SXQYFOVPKWZCOO-BDXSIMOUSA-N 2 1 378.517 0.176 20 0 GCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O)[NH+](C)C ZINC001109427998 1202046919 /nfs/dbraw/zinc/04/69/19/1202046919.db2.gz HHSCICKAQZRRDU-GJGATLCTSA-N 2 1 380.533 0.277 20 0 GCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CC4CC3(C4)CO1)C2 ZINC001109538728 1202076262 /nfs/dbraw/zinc/07/62/62/1202076262.db2.gz PMRLALCXTKDWOA-IBTBTWTJSA-N 2 1 379.501 0.234 20 0 GCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)C2 ZINC001109538728 1202076267 /nfs/dbraw/zinc/07/62/67/1202076267.db2.gz PMRLALCXTKDWOA-IBTBTWTJSA-N 2 1 379.501 0.234 20 0 GCADMP COCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)C2 ZINC001109538728 1202076271 /nfs/dbraw/zinc/07/62/71/1202076271.db2.gz PMRLALCXTKDWOA-IBTBTWTJSA-N 2 1 379.501 0.234 20 0 GCADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H]2CCC(=O)NC2=O)CCCC1 ZINC001109565543 1202081421 /nfs/dbraw/zinc/08/14/21/1202081421.db2.gz SPUVZXXTFBFYDQ-UGUYLWEFSA-N 2 1 376.501 0.778 20 0 GCADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H]2CCC(=O)NC2=O)CCCC1 ZINC001109565543 1202081423 /nfs/dbraw/zinc/08/14/23/1202081423.db2.gz SPUVZXXTFBFYDQ-UGUYLWEFSA-N 2 1 376.501 0.778 20 0 GCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001109672567 1202103489 /nfs/dbraw/zinc/10/34/89/1202103489.db2.gz KPORCFFOCOWBSN-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673276 1202103526 /nfs/dbraw/zinc/10/35/26/1202103526.db2.gz GSZMRYAJCAGNPK-KBXIAJHMSA-N 2 1 381.521 0.672 20 0 GCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109673276 1202103527 /nfs/dbraw/zinc/10/35/27/1202103527.db2.gz GSZMRYAJCAGNPK-KBXIAJHMSA-N 2 1 381.521 0.672 20 0 GCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001109729100 1202113229 /nfs/dbraw/zinc/11/32/29/1202113229.db2.gz USZKFWIRRGOXCH-ILXRZTDVSA-N 2 1 379.505 0.238 20 0 GCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001109729100 1202113230 /nfs/dbraw/zinc/11/32/30/1202113230.db2.gz USZKFWIRRGOXCH-ILXRZTDVSA-N 2 1 379.505 0.238 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001109729100 1202113231 /nfs/dbraw/zinc/11/32/31/1202113231.db2.gz USZKFWIRRGOXCH-ILXRZTDVSA-N 2 1 379.505 0.238 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)CC(C)(C)C ZINC001109729100 1202113232 /nfs/dbraw/zinc/11/32/32/1202113232.db2.gz USZKFWIRRGOXCH-ILXRZTDVSA-N 2 1 379.505 0.238 20 0 GCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729173 1202113368 /nfs/dbraw/zinc/11/33/68/1202113368.db2.gz XLCGBKXPKAZXLJ-FYQPLNBISA-N 2 1 375.513 0.890 20 0 GCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CCc1ccccc1)C2 ZINC001109729173 1202113372 /nfs/dbraw/zinc/11/33/72/1202113372.db2.gz XLCGBKXPKAZXLJ-FYQPLNBISA-N 2 1 375.513 0.890 20 0 GCADMP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)C2 ZINC001109729173 1202113374 /nfs/dbraw/zinc/11/33/74/1202113374.db2.gz XLCGBKXPKAZXLJ-FYQPLNBISA-N 2 1 375.513 0.890 20 0 GCADMP COC[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)CCc1ccccc1)C2 ZINC001109729173 1202113375 /nfs/dbraw/zinc/11/33/75/1202113375.db2.gz XLCGBKXPKAZXLJ-FYQPLNBISA-N 2 1 375.513 0.890 20 0 GCADMP CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799440 1202124308 /nfs/dbraw/zinc/12/43/08/1202124308.db2.gz YODVZCJQBGDRSH-OJLVUWQFSA-N 2 1 379.505 0.284 20 0 GCADMP CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799440 1202124311 /nfs/dbraw/zinc/12/43/11/1202124311.db2.gz YODVZCJQBGDRSH-OJLVUWQFSA-N 2 1 379.505 0.284 20 0 GCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)N2CCCC2)CC1 ZINC001109900595 1202146113 /nfs/dbraw/zinc/14/61/13/1202146113.db2.gz XMGSCGUNLIVZJJ-NJAFHUGGSA-N 2 1 378.517 0.441 20 0 GCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)N2CCCC2)CC1 ZINC001109900595 1202146114 /nfs/dbraw/zinc/14/61/14/1202146114.db2.gz XMGSCGUNLIVZJJ-NJAFHUGGSA-N 2 1 378.517 0.441 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902601 1202146334 /nfs/dbraw/zinc/14/63/34/1202146334.db2.gz RTFMXDXMFRRLTM-NJAFHUGGSA-N 2 1 380.533 0.687 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902601 1202146336 /nfs/dbraw/zinc/14/63/36/1202146336.db2.gz RTFMXDXMFRRLTM-NJAFHUGGSA-N 2 1 380.533 0.687 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928066 1202151603 /nfs/dbraw/zinc/15/16/03/1202151603.db2.gz FYFHRMMHTPZQOF-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)CC)C2 ZINC001109928066 1202151607 /nfs/dbraw/zinc/15/16/07/1202151607.db2.gz FYFHRMMHTPZQOF-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@H+](C)CC)C2 ZINC001109928066 1202151608 /nfs/dbraw/zinc/15/16/08/1202151608.db2.gz FYFHRMMHTPZQOF-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[N@@H+](C)CC)C2 ZINC001109928066 1202151610 /nfs/dbraw/zinc/15/16/10/1202151610.db2.gz FYFHRMMHTPZQOF-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cc1ccccc1 ZINC001109977279 1202165149 /nfs/dbraw/zinc/16/51/49/1202165149.db2.gz BTVZGZUCELLKMV-FYQPLNBISA-N 2 1 375.513 0.890 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000787633475 1205396151 /nfs/dbraw/zinc/39/61/51/1205396151.db2.gz BHJUUMNFEJEVSU-OKZBNKHCSA-N 2 1 392.475 0.524 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787668127 1205398268 /nfs/dbraw/zinc/39/82/68/1205398268.db2.gz DAQMWZUEPCHCAH-SJLPKXTDSA-N 2 1 380.533 0.594 20 0 GCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688605 1205398942 /nfs/dbraw/zinc/39/89/42/1205398942.db2.gz KAWQQFXJSAHBPC-ZWKOTPCHSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688605 1205398946 /nfs/dbraw/zinc/39/89/46/1205398946.db2.gz KAWQQFXJSAHBPC-ZWKOTPCHSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688605 1205398949 /nfs/dbraw/zinc/39/89/49/1205398949.db2.gz KAWQQFXJSAHBPC-ZWKOTPCHSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787703833 1205399036 /nfs/dbraw/zinc/39/90/36/1205399036.db2.gz DNTTXIDMBZXCHZ-XMTFNYHQSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787703833 1205399038 /nfs/dbraw/zinc/39/90/38/1205399038.db2.gz DNTTXIDMBZXCHZ-XMTFNYHQSA-N 2 1 380.533 0.450 20 0 GCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787893989 1205405172 /nfs/dbraw/zinc/40/51/72/1205405172.db2.gz HJINEBFJJOGUQA-QZTJIDSGSA-N 2 1 380.533 0.594 20 0 GCADMP CC[NH+]1CCN(CCNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792170753 1205484629 /nfs/dbraw/zinc/48/46/29/1205484629.db2.gz FYLHXSNRYQRWOW-UHFFFAOYSA-N 2 1 397.564 0.683 20 0 GCADMP Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(S(=O)(=O)NC2CC[NH2+]CC2)cc1 ZINC001170344541 1205491115 /nfs/dbraw/zinc/49/11/15/1205491115.db2.gz ODLKMYFJLVETOB-UHFFFAOYSA-N 2 1 379.486 0.418 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747113042 1205498400 /nfs/dbraw/zinc/49/84/00/1205498400.db2.gz QXNNXVGBXYVDLS-DLBZAZTESA-N 2 1 398.548 0.796 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747113042 1205498401 /nfs/dbraw/zinc/49/84/01/1205498401.db2.gz QXNNXVGBXYVDLS-DLBZAZTESA-N 2 1 398.548 0.796 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793802835 1205506444 /nfs/dbraw/zinc/50/64/44/1205506444.db2.gz ORXIANUHTUYHBB-IRXDYDNUSA-N 2 1 398.467 0.171 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793802835 1205506445 /nfs/dbraw/zinc/50/64/45/1205506445.db2.gz ORXIANUHTUYHBB-IRXDYDNUSA-N 2 1 398.467 0.171 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793909442 1205509124 /nfs/dbraw/zinc/50/91/24/1205509124.db2.gz GYEBFNJRECSVFJ-IXDOHACOSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000793909442 1205509127 /nfs/dbraw/zinc/50/91/27/1205509127.db2.gz GYEBFNJRECSVFJ-IXDOHACOSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000793909442 1205509129 /nfs/dbraw/zinc/50/91/29/1205509129.db2.gz GYEBFNJRECSVFJ-IXDOHACOSA-N 2 1 380.533 0.593 20 0 GCADMP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@@H]2C1 ZINC000793935089 1205509906 /nfs/dbraw/zinc/50/99/06/1205509906.db2.gz JPTJXIHJLULJLF-SQNIBIBYSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C[C@@H]2C1 ZINC000793935089 1205509907 /nfs/dbraw/zinc/50/99/07/1205509907.db2.gz JPTJXIHJLULJLF-SQNIBIBYSA-N 2 1 378.517 0.110 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCCCOC)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129857887 1205521113 /nfs/dbraw/zinc/52/11/13/1205521113.db2.gz JKIVWOQNSUNMRO-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCC(F)(F)F)[C@@H](n3ccnn3)C2)O1 ZINC001129912576 1205522860 /nfs/dbraw/zinc/52/28/60/1205522860.db2.gz PSHJOUFMZJYXKR-YIYPIFLZSA-N 2 1 390.410 0.291 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000804897158 1205527776 /nfs/dbraw/zinc/52/77/76/1205527776.db2.gz GGJQMIIOPKPKQW-SFHVURJKSA-N 2 1 376.501 0.544 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000806210526 1205551874 /nfs/dbraw/zinc/55/18/74/1205551874.db2.gz SLHUPVOBVFSGQP-BQFCYCMXSA-N 2 1 379.549 0.260 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000806210526 1205551876 /nfs/dbraw/zinc/55/18/76/1205551876.db2.gz SLHUPVOBVFSGQP-BQFCYCMXSA-N 2 1 379.549 0.260 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000806502853 1205557767 /nfs/dbraw/zinc/55/77/67/1205557767.db2.gz JDLJXKMMOPDZNO-QRQLOZEOSA-N 2 1 393.576 0.602 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000806502853 1205557768 /nfs/dbraw/zinc/55/77/68/1205557768.db2.gz JDLJXKMMOPDZNO-QRQLOZEOSA-N 2 1 393.576 0.602 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@H](C)[C@H]1C[NH2+]CCO1 ZINC001170563559 1205613571 /nfs/dbraw/zinc/61/35/71/1205613571.db2.gz MGGLHNLVAQICMS-HLLBOEOZSA-N 2 1 394.516 0.976 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000809440161 1205624839 /nfs/dbraw/zinc/62/48/39/1205624839.db2.gz DZCNEVZKLPAPRS-HKUYNNGSSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000809440161 1205624842 /nfs/dbraw/zinc/62/48/42/1205624842.db2.gz DZCNEVZKLPAPRS-HKUYNNGSSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@@H]1C[N@H+](C)CCO1 ZINC000809440166 1205624873 /nfs/dbraw/zinc/62/48/73/1205624873.db2.gz DZCNEVZKLPAPRS-MJGOQNOKSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@@H]1C[N@@H+](C)CCO1 ZINC000809440166 1205624874 /nfs/dbraw/zinc/62/48/74/1205624874.db2.gz DZCNEVZKLPAPRS-MJGOQNOKSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000809441637 1205625242 /nfs/dbraw/zinc/62/52/42/1205625242.db2.gz HZEXFVBYAZSPOP-MAUKXSAKSA-N 2 1 376.501 0.542 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000809441637 1205625243 /nfs/dbraw/zinc/62/52/43/1205625243.db2.gz HZEXFVBYAZSPOP-MAUKXSAKSA-N 2 1 376.501 0.542 20 0 GCADMP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000809970193 1205632054 /nfs/dbraw/zinc/63/20/54/1205632054.db2.gz QDWROWPQMOOVMZ-GOSISDBHSA-N 2 1 387.521 0.421 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3CCCS3(=O)=O)C2)CC[N@H+]1C ZINC001086699929 1205659825 /nfs/dbraw/zinc/65/98/25/1205659825.db2.gz NLZJKWXHAWVJKW-YYIAUSFCSA-N 2 1 386.562 0.237 20 0 GCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001110161525 1205707619 /nfs/dbraw/zinc/70/76/19/1205707619.db2.gz IERFKQURGGNLOE-OWSLCNJRSA-N 2 1 377.533 0.854 20 0 GCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001110161525 1205707621 /nfs/dbraw/zinc/70/76/21/1205707621.db2.gz IERFKQURGGNLOE-OWSLCNJRSA-N 2 1 377.533 0.854 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172013420 1205711432 /nfs/dbraw/zinc/71/14/32/1205711432.db2.gz IGPLZWQODCWSIN-CQSZACIVSA-N 2 1 375.473 0.478 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@@H]1CCN(C3CC3)C(=O)C1)CC2 ZINC001172013420 1205711434 /nfs/dbraw/zinc/71/14/34/1205711434.db2.gz IGPLZWQODCWSIN-CQSZACIVSA-N 2 1 375.473 0.478 20 0 GCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)C1 ZINC001172176984 1205714199 /nfs/dbraw/zinc/71/41/99/1205714199.db2.gz ZNWNRISAKHZPHK-ZWKOTPCHSA-N 2 1 392.544 0.642 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC2)C1 ZINC001172176984 1205714201 /nfs/dbraw/zinc/71/42/01/1205714201.db2.gz ZNWNRISAKHZPHK-ZWKOTPCHSA-N 2 1 392.544 0.642 20 0 GCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC2)C1 ZINC001172176977 1205714262 /nfs/dbraw/zinc/71/42/62/1205714262.db2.gz ZNWNRISAKHZPHK-QZTJIDSGSA-N 2 1 392.544 0.642 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC2)C1 ZINC001172176977 1205714264 /nfs/dbraw/zinc/71/42/64/1205714264.db2.gz ZNWNRISAKHZPHK-QZTJIDSGSA-N 2 1 392.544 0.642 20 0 GCADMP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251493 1205715137 /nfs/dbraw/zinc/71/51/37/1205715137.db2.gz RFSCINMVUMLKBK-HXUWFJFHSA-N 2 1 380.533 0.690 20 0 GCADMP CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251493 1205715138 /nfs/dbraw/zinc/71/51/38/1205715138.db2.gz RFSCINMVUMLKBK-HXUWFJFHSA-N 2 1 380.533 0.690 20 0 GCADMP CC[NH+](CC)CCn1cc(Nc2cc(N3CC[NH+](CCO)CC3)ncn2)cn1 ZINC001203251855 1205717243 /nfs/dbraw/zinc/71/72/43/1205717243.db2.gz NCAHRYYKWBSQLE-UHFFFAOYSA-N 2 1 388.520 0.873 20 0 GCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC001172995944 1205718454 /nfs/dbraw/zinc/71/84/54/1205718454.db2.gz AQQDPHRGCDZTGT-INIZCTEOSA-N 2 1 393.463 0.825 20 0 GCADMP CC[N@@H+]1CC[C@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001173359638 1205719939 /nfs/dbraw/zinc/71/99/39/1205719939.db2.gz FOKWTUAYLJWVGP-YESZJQIVSA-N 2 1 391.541 0.444 20 0 GCADMP CC[N@H+]1CC[C@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001173359638 1205719941 /nfs/dbraw/zinc/71/99/41/1205719941.db2.gz FOKWTUAYLJWVGP-YESZJQIVSA-N 2 1 391.541 0.444 20 0 GCADMP CC[N@H+]1CC[C@H](N(Cc2cnc3n2CC[NH2+]CC3)c2cc(N(C)C)ncn2)C1 ZINC001173360412 1205720019 /nfs/dbraw/zinc/72/00/19/1205720019.db2.gz DBSAVXNUAXQRPX-INIZCTEOSA-N 2 1 384.532 0.986 20 0 GCADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173494045 1205722658 /nfs/dbraw/zinc/72/26/58/1205722658.db2.gz AOOJAVHKNLNYGY-OWCLPIDISA-N 2 1 377.441 0.170 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579034 1205724963 /nfs/dbraw/zinc/72/49/63/1205724963.db2.gz OFFSOJHAUCZFLG-HSFUPAIVSA-N 2 1 398.500 0.396 20 0 GCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579034 1205724964 /nfs/dbraw/zinc/72/49/64/1205724964.db2.gz OFFSOJHAUCZFLG-HSFUPAIVSA-N 2 1 398.500 0.396 20 0 GCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579034 1205724965 /nfs/dbraw/zinc/72/49/65/1205724965.db2.gz OFFSOJHAUCZFLG-HSFUPAIVSA-N 2 1 398.500 0.396 20 0 GCADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCC(=O)NC1=O ZINC001110188506 1205740052 /nfs/dbraw/zinc/74/00/52/1205740052.db2.gz DEUDUMRWIOPTDW-QZWWFDLISA-N 2 1 376.501 0.779 20 0 GCADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCC(=O)NC1=O ZINC001110188506 1205740054 /nfs/dbraw/zinc/74/00/54/1205740054.db2.gz DEUDUMRWIOPTDW-QZWWFDLISA-N 2 1 376.501 0.779 20 0 GCADMP C[NH+](C)CCN(c1cnn(CC[NH+](C)C)c1)S(=O)(=O)Cc1cccc(N)c1 ZINC001176450296 1205748207 /nfs/dbraw/zinc/74/82/07/1205748207.db2.gz FGMKPGFYICIQPL-UHFFFAOYSA-N 2 1 394.545 0.925 20 0 GCADMP OCC[NH+]1CCN(c2cc(Nc3cnn(CC[NH+]4CCCC4)c3)ncn2)CC1 ZINC001176559608 1205749318 /nfs/dbraw/zinc/74/93/18/1205749318.db2.gz XBCDKKFBTQVOAK-UHFFFAOYSA-N 2 1 386.504 0.627 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001178947969 1205797195 /nfs/dbraw/zinc/79/71/95/1205797195.db2.gz DPOWDFWGDLKHPZ-HKUYNNGSSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001178947969 1205797196 /nfs/dbraw/zinc/79/71/96/1205797196.db2.gz DPOWDFWGDLKHPZ-HKUYNNGSSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)C1 ZINC001179150414 1205803929 /nfs/dbraw/zinc/80/39/29/1205803929.db2.gz LHESTNLQTGWHFH-INIZCTEOSA-N 2 1 396.532 0.859 20 0 GCADMP COc1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCC(C(N)=O)CC2)C1 ZINC001180613933 1205827451 /nfs/dbraw/zinc/82/74/51/1205827451.db2.gz XYKBOEXKFYFEPJ-SFHVURJKSA-N 2 1 388.512 0.973 20 0 GCADMP C[C@@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])N(C)C ZINC001180864971 1205834604 /nfs/dbraw/zinc/83/46/04/1205834604.db2.gz NNAQEGYZOBDUEW-DAQSZBFJSA-N 2 1 388.553 0.232 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1(O)CC[NH+](C)CC1)CCC2 ZINC001182030487 1205853526 /nfs/dbraw/zinc/85/35/26/1205853526.db2.gz DKGQQPCWZURAAE-UHFFFAOYSA-N 2 1 391.516 0.273 20 0 GCADMP CN1CC[N@H+](C)C[C@@H]1C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001185250459 1205918788 /nfs/dbraw/zinc/91/87/88/1205918788.db2.gz GQHRRUHVNUICKW-GOSISDBHSA-N 2 1 399.543 0.464 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001185250459 1205918789 /nfs/dbraw/zinc/91/87/89/1205918789.db2.gz GQHRRUHVNUICKW-GOSISDBHSA-N 2 1 399.543 0.464 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[NH+](C)CCN1C)CCC2 ZINC001185253616 1205919135 /nfs/dbraw/zinc/91/91/35/1205919135.db2.gz XGGRIKMDTCVECK-QGZVFWFLSA-N 2 1 390.532 0.062 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@H+](C)CCN1C)CCC2 ZINC001185253616 1205919136 /nfs/dbraw/zinc/91/91/36/1205919136.db2.gz XGGRIKMDTCVECK-QGZVFWFLSA-N 2 1 390.532 0.062 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@@H+](C)CCN1C)CCC2 ZINC001185253616 1205919137 /nfs/dbraw/zinc/91/91/37/1205919137.db2.gz XGGRIKMDTCVECK-QGZVFWFLSA-N 2 1 390.532 0.062 20 0 GCADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC001185254751 1205919925 /nfs/dbraw/zinc/91/99/25/1205919925.db2.gz GSTTXNJYLKPTBH-SFHVURJKSA-N 2 1 375.517 0.943 20 0 GCADMP CN1CC[N@H+](C)C[C@@H]1C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001185257552 1205919930 /nfs/dbraw/zinc/91/99/30/1205919930.db2.gz LGSAAHLUQVADET-CYBMUJFWSA-N 2 1 386.422 0.826 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001185257552 1205919932 /nfs/dbraw/zinc/91/99/32/1205919932.db2.gz LGSAAHLUQVADET-CYBMUJFWSA-N 2 1 386.422 0.826 20 0 GCADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC001185266773 1205920357 /nfs/dbraw/zinc/92/03/57/1205920357.db2.gz GAQUZVGUZHLJHO-JIZBTBOESA-N 2 1 387.528 0.955 20 0 GCADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC001185266773 1205920359 /nfs/dbraw/zinc/92/03/59/1205920359.db2.gz GAQUZVGUZHLJHO-JIZBTBOESA-N 2 1 387.528 0.955 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000774853024 1205920979 /nfs/dbraw/zinc/92/09/79/1205920979.db2.gz GILADBXISDJWCS-RBSFLKMASA-N 2 1 380.514 0.446 20 0 GCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774865216 1205921881 /nfs/dbraw/zinc/92/18/81/1205921881.db2.gz HNQCGWXNFIGLRD-BBWFWOEESA-N 2 1 390.484 0.512 20 0 GCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000774865216 1205921883 /nfs/dbraw/zinc/92/18/83/1205921883.db2.gz HNQCGWXNFIGLRD-BBWFWOEESA-N 2 1 390.484 0.512 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925721 1205928754 /nfs/dbraw/zinc/92/87/54/1205928754.db2.gz VPMHOBPXWPIVRX-CEXWTWQISA-N 2 1 388.512 0.255 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC([NH3+])(c3cccc(OC)c3)CC2)C1 ZINC001186116184 1205935355 /nfs/dbraw/zinc/93/53/55/1205935355.db2.gz BCKAVARYTUHFHB-HNNXBMFYSA-N 2 1 375.469 0.967 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045501 1205945343 /nfs/dbraw/zinc/94/53/43/1205945343.db2.gz UGEXVJSQWUPUIS-GBESFXJTSA-N 2 1 386.496 0.357 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839854 1205949135 /nfs/dbraw/zinc/94/91/35/1205949135.db2.gz MEZGFWBPYIGPLT-HZPDHXFCSA-N 2 1 384.521 0.548 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCCC[C@@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839854 1205949136 /nfs/dbraw/zinc/94/91/36/1205949136.db2.gz MEZGFWBPYIGPLT-HZPDHXFCSA-N 2 1 384.521 0.548 20 0 GCADMP CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])C1 ZINC001186810995 1205949382 /nfs/dbraw/zinc/94/93/82/1205949382.db2.gz NTBNFLNUKYAHPY-IFXJQAMLSA-N 2 1 396.488 0.558 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000775434875 1206054862 /nfs/dbraw/zinc/05/48/62/1206054862.db2.gz JCIRYQFCPXPZNX-FUHWJXTLSA-N 2 1 396.532 0.909 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000775434875 1206054866 /nfs/dbraw/zinc/05/48/66/1206054866.db2.gz JCIRYQFCPXPZNX-FUHWJXTLSA-N 2 1 396.532 0.909 20 0 GCADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(n2)N(C)[C@@H](C)C(=O)N3)c2c1CC[NH2+]C2 ZINC001164681612 719623651 /nfs/dbraw/zinc/62/36/51/719623651.db2.gz IYLQHSIDWSEUIR-LBPRGKRZSA-N 2 1 384.488 0.925 20 0 GCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(n2)N(C)[C@@H](C)C(=O)N3)c2c1CC[NH2+]C2 ZINC001164681612 719623653 /nfs/dbraw/zinc/62/36/53/719623653.db2.gz IYLQHSIDWSEUIR-LBPRGKRZSA-N 2 1 384.488 0.925 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n1)C[NH2+]CC2 ZINC001164741541 720610801 /nfs/dbraw/zinc/61/08/01/720610801.db2.gz LLPXPWGTRADVRZ-QWHCGFSZSA-N 2 1 387.875 0.908 20 0 GCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]2C1 ZINC001164859557 720864229 /nfs/dbraw/zinc/86/42/29/720864229.db2.gz UMJNCXWABUDSJR-IAGOWNOFSA-N 2 1 377.489 0.487 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]2C1 ZINC001164859557 720864230 /nfs/dbraw/zinc/86/42/30/720864230.db2.gz UMJNCXWABUDSJR-IAGOWNOFSA-N 2 1 377.489 0.487 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164856076 720865753 /nfs/dbraw/zinc/86/57/53/720865753.db2.gz OJGDDOSSXODAMW-SJLPKXTDSA-N 2 1 390.532 0.578 20 0 GCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164862832 721096532 /nfs/dbraw/zinc/09/65/32/721096532.db2.gz BBAZJHGPUGQPAP-OALUTQOASA-N 2 1 395.511 0.761 20 0 GCADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164762503 721222682 /nfs/dbraw/zinc/22/26/82/721222682.db2.gz CNBVPRSTNZURKX-OALUTQOASA-N 2 1 396.543 0.920 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164762503 721222687 /nfs/dbraw/zinc/22/26/87/721222687.db2.gz CNBVPRSTNZURKX-OALUTQOASA-N 2 1 396.543 0.920 20 0 GCADMP CS(=O)(=O)c1nc2c(c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n1)CC[NH2+]CC2 ZINC001164767152 721279011 /nfs/dbraw/zinc/27/90/11/721279011.db2.gz GYEZPQWBVDSVOU-UHFFFAOYSA-N 2 1 391.541 0.490 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4c(n2)CC[NH2+]C4)CC3)CC1 ZINC001164997061 722229900 /nfs/dbraw/zinc/22/99/00/722229900.db2.gz NJPAQMRQFSYKSQ-UHFFFAOYSA-N 2 1 379.512 0.874 20 0 GCADMP CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C)C1 ZINC001571263797 945467509 /nfs/dbraw/zinc/46/75/09/945467509.db2.gz BFKVUFRGNNLQDG-GVDBMIGSSA-N 2 1 385.472 0.134 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001571263797 945467512 /nfs/dbraw/zinc/46/75/12/945467512.db2.gz BFKVUFRGNNLQDG-GVDBMIGSSA-N 2 1 385.472 0.134 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571263797 945467513 /nfs/dbraw/zinc/46/75/13/945467513.db2.gz BFKVUFRGNNLQDG-GVDBMIGSSA-N 2 1 385.472 0.134 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000821599394 945737717 /nfs/dbraw/zinc/73/77/17/945737717.db2.gz RONVPUHSOFBFOO-UHFFFAOYSA-N 2 1 386.504 0.765 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821627019 945756668 /nfs/dbraw/zinc/75/66/68/945756668.db2.gz JMCMJMMRIGQOEC-QGZVFWFLSA-N 2 1 389.504 0.176 20 0 GCADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263828 949411731 /nfs/dbraw/zinc/41/17/31/949411731.db2.gz JZJBXQNYNVMVDY-OLZOCXBDSA-N 2 1 387.463 0.894 20 0 GCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265564 949450603 /nfs/dbraw/zinc/45/06/03/949450603.db2.gz USWCLEBOXGDOGU-VXGBXAGGSA-N 2 1 375.502 0.816 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574712167 949571326 /nfs/dbraw/zinc/57/13/26/949571326.db2.gz PTYWTJBYPSQJMQ-WFASDCNBSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713099 949594200 /nfs/dbraw/zinc/59/42/00/949594200.db2.gz VWTGTFJRWUMBME-WBMJQRKESA-N 2 1 391.451 0.273 20 0 GCADMP C[C@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713099 949594218 /nfs/dbraw/zinc/59/42/18/949594218.db2.gz VWTGTFJRWUMBME-WBMJQRKESA-N 2 1 391.451 0.273 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576192539 950252273 /nfs/dbraw/zinc/25/22/73/950252273.db2.gz NKGIMUOAMBJLGO-CQSZACIVSA-N 2 1 386.504 0.922 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197268 950386820 /nfs/dbraw/zinc/38/68/20/950386820.db2.gz MLULHSPJZXVFOB-STQMWFEESA-N 2 1 375.502 0.961 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197399 950392447 /nfs/dbraw/zinc/39/24/47/950392447.db2.gz MZUOBHHWPVHILT-CZUORRHYSA-N 2 1 384.488 0.674 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205401 950514084 /nfs/dbraw/zinc/51/40/84/950514084.db2.gz INIBTVZLCRHFGM-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213529 950630814 /nfs/dbraw/zinc/63/08/14/950630814.db2.gz BVMDPCRRRUCIPS-CVGURMSBSA-N 2 1 387.513 0.816 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213529 950630829 /nfs/dbraw/zinc/63/08/29/950630829.db2.gz BVMDPCRRRUCIPS-CVGURMSBSA-N 2 1 387.513 0.816 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213529 950630845 /nfs/dbraw/zinc/63/08/45/950630845.db2.gz BVMDPCRRRUCIPS-CVGURMSBSA-N 2 1 387.513 0.816 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082457 951733760 /nfs/dbraw/zinc/73/37/60/951733760.db2.gz ZEDZOCGLIFKBGL-LRDDRELGSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082457 951733768 /nfs/dbraw/zinc/73/37/68/951733768.db2.gz ZEDZOCGLIFKBGL-LRDDRELGSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575091653 951781012 /nfs/dbraw/zinc/78/10/12/951781012.db2.gz TZOPZJJBLXDMNE-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190523 952943368 /nfs/dbraw/zinc/94/33/68/952943368.db2.gz KQNAXRZFQOEBBG-SZMVWBNQSA-N 2 1 381.484 0.994 20 0 GCADMP C[N@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190523 952943370 /nfs/dbraw/zinc/94/33/70/952943370.db2.gz KQNAXRZFQOEBBG-SZMVWBNQSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190523 952943374 /nfs/dbraw/zinc/94/33/74/952943374.db2.gz KQNAXRZFQOEBBG-SZMVWBNQSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190523 952943380 /nfs/dbraw/zinc/94/33/80/952943380.db2.gz KQNAXRZFQOEBBG-SZMVWBNQSA-N 2 1 381.484 0.994 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191658 952946984 /nfs/dbraw/zinc/94/69/84/952946984.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 2 1 381.484 0.853 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191658 952946988 /nfs/dbraw/zinc/94/69/88/952946988.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 2 1 381.484 0.853 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191658 952946992 /nfs/dbraw/zinc/94/69/92/952946992.db2.gz QAISUQVHYVAQKH-KRWDZBQOSA-N 2 1 381.484 0.853 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571250008 953308588 /nfs/dbraw/zinc/30/85/88/953308588.db2.gz NFHZUYBTGOORSP-ZQIUZPCESA-N 2 1 384.488 0.863 20 0 GCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252720 953332226 /nfs/dbraw/zinc/33/22/26/953332226.db2.gz UZUUWFPXDHZZIL-BBRMVZONSA-N 2 1 384.488 0.935 20 0 GCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252720 953332228 /nfs/dbraw/zinc/33/22/28/953332228.db2.gz UZUUWFPXDHZZIL-BBRMVZONSA-N 2 1 384.488 0.935 20 0 GCADMP CCN(CC)S(=O)(=O)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000530579214 530153347 /nfs/dbraw/zinc/15/33/47/530153347.db2.gz YUTVNZWWFFITAO-INIZCTEOSA-N 2 1 376.567 0.533 20 0 GCADMP C[NH+]1CCN([C@@H](C[NH2+]CC2(O)CCS(=O)(=O)CC2)c2cccs2)CC1 ZINC000556770750 530187592 /nfs/dbraw/zinc/18/75/92/530187592.db2.gz WGWFDQMIDTTXBS-HNNXBMFYSA-N 2 1 387.571 0.566 20 0 GCADMP [NH3+][C@H]1C[C@@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CCN2C1=O ZINC000594880151 530442820 /nfs/dbraw/zinc/44/28/20/530442820.db2.gz TZGIYMVNEBPNCW-APPZFPTMSA-N 2 1 385.287 0.498 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])S(C)(=O)=O ZINC000652355036 530460577 /nfs/dbraw/zinc/46/05/77/530460577.db2.gz NROOWURCOZEIRZ-HZPDHXFCSA-N 2 1 376.567 0.612 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])S(C)(=O)=O ZINC000652355036 530460580 /nfs/dbraw/zinc/46/05/80/530460580.db2.gz NROOWURCOZEIRZ-HZPDHXFCSA-N 2 1 376.567 0.612 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCOC(C)(C)C1 ZINC000330691147 530523618 /nfs/dbraw/zinc/52/36/18/530523618.db2.gz YWHAIFQWGZZGFS-INIZCTEOSA-N 2 1 376.567 0.690 20 0 GCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000641803226 530786481 /nfs/dbraw/zinc/78/64/81/530786481.db2.gz BRZARJUCDLIOBP-CFVMTHIKSA-N 2 1 385.555 0.979 20 0 GCADMP COCC[NH+](CCOC)C1CCN(S(=O)(=O)CC2([NH+](C)C)CC2)CC1 ZINC000632333325 530967000 /nfs/dbraw/zinc/96/70/00/530967000.db2.gz QVKCPEGXLWRKOB-UHFFFAOYSA-N 2 1 377.551 0.470 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662406323 531021141 /nfs/dbraw/zinc/02/11/41/531021141.db2.gz XFSCQJZCFNYTEI-SMDDNHRTSA-N 2 1 383.290 0.762 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662406302 531021284 /nfs/dbraw/zinc/02/12/84/531021284.db2.gz XFSCQJZCFNYTEI-BXUZGUMPSA-N 2 1 383.290 0.762 20 0 GCADMP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000738450092 598837941 /nfs/dbraw/zinc/83/79/41/598837941.db2.gz OBNVWRRPPLXVSX-DZGCQCFKSA-N 2 1 387.492 0.338 20 0 GCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736858587 599080727 /nfs/dbraw/zinc/08/07/27/599080727.db2.gz UEKPQMCMDWHPKH-GOSISDBHSA-N 2 1 398.515 0.907 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736858587 599080731 /nfs/dbraw/zinc/08/07/31/599080731.db2.gz UEKPQMCMDWHPKH-GOSISDBHSA-N 2 1 398.515 0.907 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736147281 598349010 /nfs/dbraw/zinc/34/90/10/598349010.db2.gz LZALRNYFUIJCBU-CQSZACIVSA-N 2 1 387.488 0.830 20 0 GCADMP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1-c1nn[nH]n1 ZINC000826073279 608020210 /nfs/dbraw/zinc/02/02/10/608020210.db2.gz MNUVCSGYLMDHMZ-GRYCIOLGSA-N 2 1 375.481 0.942 20 0 GCADMP COc1cc(-c2nn[nH]n2)ccc1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000826173242 609499694 /nfs/dbraw/zinc/49/96/94/609499694.db2.gz UUGLVBPHLZHJJJ-OAHLLOKOSA-N 2 1 375.433 0.983 20 0 GCADMP COc1cc(-c2nn[nH]n2)ccc1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000826173242 609499696 /nfs/dbraw/zinc/49/96/96/609499696.db2.gz UUGLVBPHLZHJJJ-OAHLLOKOSA-N 2 1 375.433 0.983 20 0 GCADMP C[N@@H+]1CCN(CC[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1(C)C ZINC000819287181 641933136 /nfs/dbraw/zinc/93/31/36/641933136.db2.gz MRYUMLPJQMFECP-UHFFFAOYSA-N 2 1 377.551 0.359 20 0 GCADMP C[N@H+]1CCN(CC[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1(C)C ZINC000819287181 641933149 /nfs/dbraw/zinc/93/31/49/641933149.db2.gz MRYUMLPJQMFECP-UHFFFAOYSA-N 2 1 377.551 0.359 20 0 GCADMP CS(=O)(=O)[C@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000800467380 642082377 /nfs/dbraw/zinc/08/23/77/642082377.db2.gz XVKWJYKNNWLPBM-HOTGVXAUSA-N 2 1 380.576 0.785 20 0 GCADMP C[C@@H](C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH+](C)CC1 ZINC000663020410 1192187066 /nfs/dbraw/zinc/18/70/66/1192187066.db2.gz WZGRHGRMLJIQJG-IRXDYDNUSA-N 2 1 389.548 0.161 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345338 1192197541 /nfs/dbraw/zinc/19/75/41/1192197541.db2.gz AIJXDRGWPSEEIH-CKEIUWERSA-N 2 1 396.513 0.491 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345339 1192197841 /nfs/dbraw/zinc/19/78/41/1192197841.db2.gz AIJXDRGWPSEEIH-CPUCHLNUSA-N 2 1 396.513 0.491 20 0 GCADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347102 1192198002 /nfs/dbraw/zinc/19/80/02/1192198002.db2.gz RQTZVDGWJKUTQL-IIDMSEBBSA-N 2 1 383.514 0.931 20 0 GCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349669 1192200374 /nfs/dbraw/zinc/20/03/74/1192200374.db2.gz YNGCAYIUBNAZLT-RCCFBDPRSA-N 2 1 388.516 0.344 20 0 GCADMP C[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652354154 1192202805 /nfs/dbraw/zinc/20/28/05/1192202805.db2.gz OGGJUDAFDCRRBQ-YJBOKZPZSA-N 2 1 396.557 0.832 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349666 1192200307 /nfs/dbraw/zinc/20/03/07/1192200307.db2.gz YNGCAYIUBNAZLT-KSZLIROESA-N 2 1 388.516 0.344 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000978885352 1192237170 /nfs/dbraw/zinc/23/71/70/1192237170.db2.gz VVJGVQIKAZSMOD-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000978885352 1192237173 /nfs/dbraw/zinc/23/71/73/1192237173.db2.gz VVJGVQIKAZSMOD-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000978885352 1192237176 /nfs/dbraw/zinc/23/71/76/1192237176.db2.gz VVJGVQIKAZSMOD-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978885352 1192237180 /nfs/dbraw/zinc/23/71/80/1192237180.db2.gz VVJGVQIKAZSMOD-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978885352 1192237182 /nfs/dbraw/zinc/23/71/82/1192237182.db2.gz VVJGVQIKAZSMOD-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CCN(c2ncccn2)CC1 ZINC000662153973 1192246792 /nfs/dbraw/zinc/24/67/92/1192246792.db2.gz CISCLOCCEDBZNB-GOSISDBHSA-N 2 1 388.516 0.046 20 0 GCADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCN(c2ncccn2)CC1 ZINC000662153973 1192246796 /nfs/dbraw/zinc/24/67/96/1192246796.db2.gz CISCLOCCEDBZNB-GOSISDBHSA-N 2 1 388.516 0.046 20 0 GCADMP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)cc1 ZINC000636702839 1192272284 /nfs/dbraw/zinc/27/22/84/1192272284.db2.gz ZUBPGDSTGAIDTN-MOPGFXCFSA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702839 1192272287 /nfs/dbraw/zinc/27/22/87/1192272287.db2.gz ZUBPGDSTGAIDTN-MOPGFXCFSA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702839 1192272292 /nfs/dbraw/zinc/27/22/92/1192272292.db2.gz ZUBPGDSTGAIDTN-MOPGFXCFSA-N 2 1 387.528 0.048 20 0 GCADMP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279963 1192275956 /nfs/dbraw/zinc/27/59/56/1192275956.db2.gz BNFJXAUFYDXEJF-CABCVRRESA-N 2 1 376.509 0.191 20 0 GCADMP CC(C)(C)n1nnc(CC[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279963 1192275959 /nfs/dbraw/zinc/27/59/59/1192275959.db2.gz BNFJXAUFYDXEJF-CABCVRRESA-N 2 1 376.509 0.191 20 0 GCADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(CC[NH3+])C[C@@H](O)CO)CC2)cc1 ZINC000662287800 1192277852 /nfs/dbraw/zinc/27/78/52/1192277852.db2.gz JUMLWEZFWLOONS-HXUWFJFHSA-N 2 1 392.544 0.068 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@H](C)O1 ZINC000662336581 1192284344 /nfs/dbraw/zinc/28/43/44/1192284344.db2.gz ZYWSCEFMBABYOY-IXDOHACOSA-N 2 1 390.532 0.635 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@H](C)O1 ZINC000662336581 1192284349 /nfs/dbraw/zinc/28/43/49/1192284349.db2.gz ZYWSCEFMBABYOY-IXDOHACOSA-N 2 1 390.532 0.635 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000330264524 1192294998 /nfs/dbraw/zinc/29/49/98/1192294998.db2.gz YAZQAHKUUUFFOI-QRVBRYPASA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000330264524 1192295000 /nfs/dbraw/zinc/29/50/00/1192295000.db2.gz YAZQAHKUUUFFOI-QRVBRYPASA-N 2 1 392.544 0.642 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)COCC[NH+](C)C)CC[N@H+]1C ZINC001719831335 1192295379 /nfs/dbraw/zinc/29/53/79/1192295379.db2.gz KUIALGGLLRYLJI-ICUGJSFKSA-N 2 1 380.533 0.543 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)c3cn(CC[NH3+])nn3)CC2)cs1 ZINC000662455389 1192298818 /nfs/dbraw/zinc/29/88/18/1192298818.db2.gz YGALXLWVASMTAZ-UHFFFAOYSA-N 2 1 377.518 0.898 20 0 GCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663362761 1192303860 /nfs/dbraw/zinc/30/38/60/1192303860.db2.gz CUPLESUPIJFCEJ-QZTJIDSGSA-N 2 1 388.468 0.707 20 0 GCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678221 1192326226 /nfs/dbraw/zinc/32/62/26/1192326226.db2.gz CRKKGHMQNXKBJU-YOEHRIQHSA-N 2 1 394.447 0.789 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCC[NH+]3CC[C@H](O)C3)C2)cc(OC)c1 ZINC000636915750 1192340050 /nfs/dbraw/zinc/34/00/50/1192340050.db2.gz WJFSHDKQBKCZOO-IRXDYDNUSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NCC[NH+]3CC[C@H](O)C3)C2)cc(OC)c1 ZINC000636915750 1192340055 /nfs/dbraw/zinc/34/00/55/1192340055.db2.gz WJFSHDKQBKCZOO-IRXDYDNUSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](NC(=O)NCC[N@@H+]3CC[C@H](O)C3)C2)cc(OC)c1 ZINC000636915750 1192340061 /nfs/dbraw/zinc/34/00/61/1192340061.db2.gz WJFSHDKQBKCZOO-IRXDYDNUSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](NC(=O)NCC[N@H+]3CC[C@H](O)C3)C2)cc(OC)c1 ZINC000636915750 1192340065 /nfs/dbraw/zinc/34/00/65/1192340065.db2.gz WJFSHDKQBKCZOO-IRXDYDNUSA-N 2 1 392.500 0.644 20 0 GCADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000563150365 1192366241 /nfs/dbraw/zinc/36/62/41/1192366241.db2.gz OLGUSNAUWCLPGI-GOSISDBHSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000563150365 1192366245 /nfs/dbraw/zinc/36/62/45/1192366245.db2.gz OLGUSNAUWCLPGI-GOSISDBHSA-N 2 1 398.504 0.329 20 0 GCADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663562304 1192390752 /nfs/dbraw/zinc/39/07/52/1192390752.db2.gz YULPGQPDXAYSCE-RTBURBONSA-N 2 1 381.565 0.811 20 0 GCADMP O=C(NCCC1CC[NH2+]CC1)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000652669193 1192395123 /nfs/dbraw/zinc/39/51/23/1192395123.db2.gz YNKVSLAPKOXKCU-IBGZPJMESA-N 2 1 388.512 0.375 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652672267 1192417830 /nfs/dbraw/zinc/41/78/30/1192417830.db2.gz DDIOOSADMVFQIH-VSZNYVQBSA-N 2 1 380.533 0.579 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652672268 1192417912 /nfs/dbraw/zinc/41/79/12/1192417912.db2.gz DDIOOSADMVFQIH-XDNAFOTISA-N 2 1 380.533 0.579 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279107710 1192467436 /nfs/dbraw/zinc/46/74/36/1192467436.db2.gz YARZYZPXAPTFHR-HOTGVXAUSA-N 2 1 383.500 0.822 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000433463788 1192486515 /nfs/dbraw/zinc/48/65/15/1192486515.db2.gz AMQWYBLDBJPWBP-SFHLNBCPSA-N 2 1 382.593 0.947 20 0 GCADMP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000637375546 1192518627 /nfs/dbraw/zinc/51/86/27/1192518627.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 2 1 394.564 0.136 20 0 GCADMP CN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000637375546 1192518630 /nfs/dbraw/zinc/51/86/30/1192518630.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 2 1 394.564 0.136 20 0 GCADMP CN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000637375546 1192518632 /nfs/dbraw/zinc/51/86/32/1192518632.db2.gz MSMQNINXGTZTLH-MSOLQXFVSA-N 3 1 394.564 0.136 20 0 GCADMP [NH2+]=C(NCCCC[NH3+])Nc1ccc(F)c(S(=O)(=O)NCc2c[nH]nn2)c1 ZINC001167884373 1192572789 /nfs/dbraw/zinc/57/27/89/1192572789.db2.gz VNXJKVWSLPTSFZ-UHFFFAOYSA-N 2 1 384.441 0.097 20 0 GCADMP COCC1(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000279868861 1192613395 /nfs/dbraw/zinc/61/33/95/1192613395.db2.gz CZLXBPZLYQHPSJ-UHFFFAOYSA-N 2 1 376.505 0.121 20 0 GCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000418618964 1192619402 /nfs/dbraw/zinc/61/94/02/1192619402.db2.gz PCTWMSGFFNSHBZ-ZNMIVQPWSA-N 2 1 395.470 0.573 20 0 GCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000418618964 1192619405 /nfs/dbraw/zinc/61/94/05/1192619405.db2.gz PCTWMSGFFNSHBZ-ZNMIVQPWSA-N 2 1 395.470 0.573 20 0 GCADMP COC[C@]1(CNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000418633428 1192621603 /nfs/dbraw/zinc/62/16/03/1192621603.db2.gz IGJNBWAFDYQYHB-UYAOXDASSA-N 2 1 376.501 0.473 20 0 GCADMP COCC1(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418638781 1192622978 /nfs/dbraw/zinc/62/29/78/1192622978.db2.gz LSWPWFVULMJKGB-NRFANRHFSA-N 2 1 390.528 0.939 20 0 GCADMP COC[C@]1(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646892 1192623759 /nfs/dbraw/zinc/62/37/59/1192623759.db2.gz XKPGNBJJHSBEPP-WOJBJXKFSA-N 2 1 376.501 0.691 20 0 GCADMP COC[C@]1(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652717 1192625438 /nfs/dbraw/zinc/62/54/38/1192625438.db2.gz JEQZWNSCJXCNID-NLWGTHIKSA-N 2 1 376.501 0.690 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418661651 1192625570 /nfs/dbraw/zinc/62/55/70/1192625570.db2.gz AUZHRKVNMXMNLZ-LESCRADOSA-N 2 1 395.548 0.120 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418752483 1192639754 /nfs/dbraw/zinc/63/97/54/1192639754.db2.gz BVVBSQOKNXBVLH-GUDVDZBRSA-N 2 1 375.517 0.072 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418754827 1192639778 /nfs/dbraw/zinc/63/97/78/1192639778.db2.gz FGQYRJSPQGKVJH-FHWLQOOXSA-N 2 1 376.501 0.547 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418754826 1192639899 /nfs/dbraw/zinc/63/98/99/1192639899.db2.gz FGQYRJSPQGKVJH-CEXWTWQISA-N 2 1 376.501 0.547 20 0 GCADMP C[C@](O)(CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C[NH+]1CCOCC1 ZINC000418798477 1192648227 /nfs/dbraw/zinc/64/82/27/1192648227.db2.gz SRVMFPSBICVFEF-SWGHUGEVSA-N 2 1 380.533 0.522 20 0 GCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418822154 1192655922 /nfs/dbraw/zinc/65/59/22/1192655922.db2.gz AKJNYNDVDDFKIN-QGZVFWFLSA-N 2 1 380.533 0.596 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000418826712 1192657821 /nfs/dbraw/zinc/65/78/21/1192657821.db2.gz GJOQDUHHPQDGNK-SJORKVTESA-N 2 1 380.533 0.642 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822139 1192658132 /nfs/dbraw/zinc/65/81/32/1192658132.db2.gz AIOQHABCUWYECU-DLBZAZTESA-N 2 1 380.533 0.771 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[NH+](C)C ZINC000418830795 1192658768 /nfs/dbraw/zinc/65/87/68/1192658768.db2.gz FWQPAAQTUPMTKB-UAGQMJEPSA-N 2 1 376.501 1.000 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1C[NH3+] ZINC000418836164 1192660610 /nfs/dbraw/zinc/66/06/10/1192660610.db2.gz QTBHWRJSFNABGF-SJORKVTESA-N 2 1 380.533 0.581 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000418836257 1192660769 /nfs/dbraw/zinc/66/07/69/1192660769.db2.gz QYHPWNKJTIJEOV-IRXDYDNUSA-N 2 1 396.532 0.102 20 0 GCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418837714 1192662058 /nfs/dbraw/zinc/66/20/58/1192662058.db2.gz UFIDYWNDLFYLRB-UHFFFAOYSA-N 2 1 378.517 0.564 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000418851391 1192666163 /nfs/dbraw/zinc/66/61/63/1192666163.db2.gz PQYFSZFADLPLLA-OXQOHEQNSA-N 2 1 376.501 0.920 20 0 GCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418857160 1192668948 /nfs/dbraw/zinc/66/89/48/1192668948.db2.gz YMQUVAOYMKFIAP-PBHICJAKSA-N 2 1 396.919 0.944 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862294 1192671013 /nfs/dbraw/zinc/67/10/13/1192671013.db2.gz AMOXVJXUVSYBRM-HWMZRRJGSA-N 2 1 380.533 0.985 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000418880950 1192678080 /nfs/dbraw/zinc/67/80/80/1192678080.db2.gz QDUCQWCOBVPDRZ-RTBURBONSA-N 2 1 388.512 0.503 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418882791 1192678421 /nfs/dbraw/zinc/67/84/21/1192678421.db2.gz UFEWYGBWJHFCLX-QGZVFWFLSA-N 2 1 376.501 0.503 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418884213 1192678507 /nfs/dbraw/zinc/67/85/07/1192678507.db2.gz WLNRWIQZAXVXFP-MSOLQXFVSA-N 2 1 376.501 0.503 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418878719 1192674598 /nfs/dbraw/zinc/67/45/98/1192674598.db2.gz MAODHKJUDBXURG-MOPGFXCFSA-N 2 1 390.528 0.701 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCCO1 ZINC000418879976 1192675311 /nfs/dbraw/zinc/67/53/11/1192675311.db2.gz OIFOVVQPXNKUPO-KRWDZBQOSA-N 2 1 380.533 0.596 20 0 GCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418906096 1192685784 /nfs/dbraw/zinc/68/57/84/1192685784.db2.gz FJQHIMXKZXDZTQ-MOPGFXCFSA-N 2 1 386.496 0.203 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000418913430 1192689992 /nfs/dbraw/zinc/68/99/92/1192689992.db2.gz DYPLHVYSYZOFQJ-QRVBRYPASA-N 2 1 394.560 0.840 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418914450 1192687601 /nfs/dbraw/zinc/68/76/01/1192687601.db2.gz FNEYUYMHBCHYRU-CEXWTWQISA-N 2 1 388.512 0.413 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000418928731 1192694045 /nfs/dbraw/zinc/69/40/45/1192694045.db2.gz VMHOPHVLSAYZTJ-SFHVURJKSA-N 2 1 376.501 0.447 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964136 1192703885 /nfs/dbraw/zinc/70/38/85/1192703885.db2.gz MVYHRSNNZLEXPK-HZPDHXFCSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964136 1192703889 /nfs/dbraw/zinc/70/38/89/1192703889.db2.gz MVYHRSNNZLEXPK-HZPDHXFCSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965358 1192703935 /nfs/dbraw/zinc/70/39/35/1192703935.db2.gz OTALIAVAKOCOMO-MAUKXSAKSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965358 1192703940 /nfs/dbraw/zinc/70/39/40/1192703940.db2.gz OTALIAVAKOCOMO-MAUKXSAKSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964132 1192703977 /nfs/dbraw/zinc/70/39/77/1192703977.db2.gz MVYHRSNNZLEXPK-CVEARBPZSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964132 1192703981 /nfs/dbraw/zinc/70/39/81/1192703981.db2.gz MVYHRSNNZLEXPK-CVEARBPZSA-N 2 1 390.484 0.263 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000418970561 1192707523 /nfs/dbraw/zinc/70/75/23/1192707523.db2.gz WSFBBTMQOXTIDG-FXECBMLZSA-N 2 1 388.512 0.856 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000418992118 1192711120 /nfs/dbraw/zinc/71/11/20/1192711120.db2.gz ZILLRZFJOLPMIB-QILLFSRXSA-N 2 1 376.476 0.927 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996790 1192711742 /nfs/dbraw/zinc/71/17/42/1192711742.db2.gz KOAUFIUMCOQRRR-RDJZCZTQSA-N 2 1 376.501 0.854 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCC2)CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000410575076 1192723175 /nfs/dbraw/zinc/72/31/75/1192723175.db2.gz SOGXUGLXRIKDKI-UHFFFAOYSA-N 2 1 392.544 0.787 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc1F ZINC000419022865 1192725138 /nfs/dbraw/zinc/72/51/38/1192725138.db2.gz IVZNWTMPYBKMJP-OAHLLOKOSA-N 2 1 389.431 0.512 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419026765 1192728719 /nfs/dbraw/zinc/72/87/19/1192728719.db2.gz NSCOFKDJQNKPDA-NEPXVJNWSA-N 2 1 394.560 0.968 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1F ZINC000419028909 1192730118 /nfs/dbraw/zinc/73/01/18/1192730118.db2.gz QYSBQAAZVHRJIM-CQSZACIVSA-N 2 1 375.404 0.122 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419032560 1192733016 /nfs/dbraw/zinc/73/30/16/1192733016.db2.gz WAWMOEVTWLCLSA-YOEHRIQHSA-N 2 1 376.501 0.984 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000419037589 1192735711 /nfs/dbraw/zinc/73/57/11/1192735711.db2.gz ISEOBXFLURUZNI-KZNAEPCWSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410592315 1192736508 /nfs/dbraw/zinc/73/65/08/1192736508.db2.gz YJBGNCPPCICQFB-JZXOWHBKSA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410592315 1192736510 /nfs/dbraw/zinc/73/65/10/1192736510.db2.gz YJBGNCPPCICQFB-JZXOWHBKSA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[N@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410592315 1192736512 /nfs/dbraw/zinc/73/65/12/1192736512.db2.gz YJBGNCPPCICQFB-JZXOWHBKSA-N 2 1 378.517 0.393 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000419044362 1192738384 /nfs/dbraw/zinc/73/83/84/1192738384.db2.gz TWPKGAIIFXAXQC-OWSLCNJRSA-N 2 1 382.549 0.825 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000419041113 1192739581 /nfs/dbraw/zinc/73/95/81/1192739581.db2.gz NFXYJAUJWAERQJ-XLAORIBOSA-N 2 1 382.549 0.873 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@H](C)C1 ZINC000419045054 1192742305 /nfs/dbraw/zinc/74/23/05/1192742305.db2.gz VNELYUUDEICUIJ-LFDJNIOPSA-N 2 1 394.560 0.825 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419050603 1192749548 /nfs/dbraw/zinc/74/95/48/1192749548.db2.gz ABKOAAMXICLCIT-GUDVDZBRSA-N 2 1 388.512 0.508 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000419056200 1192752939 /nfs/dbraw/zinc/75/29/39/1192752939.db2.gz KVAXPTKIRZSJJC-GUDVDZBRSA-N 2 1 388.512 0.460 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419057203 1192753446 /nfs/dbraw/zinc/75/34/46/1192753446.db2.gz NLAIEHLGWBLVHZ-GUDVDZBRSA-N 2 1 388.512 0.493 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000419057545 1192754812 /nfs/dbraw/zinc/75/48/12/1192754812.db2.gz AMAPYTOBVZBBMM-GASCZTMLSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000419057545 1192754819 /nfs/dbraw/zinc/75/48/19/1192754819.db2.gz AMAPYTOBVZBBMM-GASCZTMLSA-N 2 1 388.512 0.910 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C ZINC000419059921 1192756490 /nfs/dbraw/zinc/75/64/90/1192756490.db2.gz SDIIEQAAYHSVGK-BHIYHBOVSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCCC[NH2+]C3CC3)c2)CCO1 ZINC000419071389 1192767733 /nfs/dbraw/zinc/76/77/33/1192767733.db2.gz LBBRUEBEEMOZBB-INIZCTEOSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCCC[NH2+]C3CC3)c2)CCO1 ZINC000419071389 1192767739 /nfs/dbraw/zinc/76/77/39/1192767739.db2.gz LBBRUEBEEMOZBB-INIZCTEOSA-N 2 1 388.512 0.782 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419079303 1192776026 /nfs/dbraw/zinc/77/60/26/1192776026.db2.gz UPKCSDOZGWOUSI-LPHOPBHVSA-N 2 1 388.512 0.591 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419079303 1192776029 /nfs/dbraw/zinc/77/60/29/1192776029.db2.gz UPKCSDOZGWOUSI-LPHOPBHVSA-N 2 1 388.512 0.591 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419078041 1192776119 /nfs/dbraw/zinc/77/61/19/1192776119.db2.gz SJMULZQRGPNSLO-OAHLLOKOSA-N 2 1 395.935 0.679 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419094422 1192787501 /nfs/dbraw/zinc/78/75/01/1192787501.db2.gz ZNYQXVVVPGQENY-JFIYKMOQSA-N 2 1 394.560 0.981 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419102757 1192791831 /nfs/dbraw/zinc/79/18/31/1192791831.db2.gz JJHNUDGBLHPXKE-QGZVFWFLSA-N 2 1 376.501 0.183 20 0 GCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)[nH+]c1 ZINC000419106856 1192789591 /nfs/dbraw/zinc/78/95/91/1192789591.db2.gz WMIKHLTWEATDGT-UHFFFAOYSA-N 2 1 377.489 0.665 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109657 1192791155 /nfs/dbraw/zinc/79/11/55/1192791155.db2.gz BEJBBXCAXKDBJN-SQNIBIBYSA-N 2 1 382.549 0.873 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419121693 1192795008 /nfs/dbraw/zinc/79/50/08/1192795008.db2.gz SHMMMDPVSWVUPE-AEFFLSMTSA-N 2 1 382.549 0.746 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419123790 1192795969 /nfs/dbraw/zinc/79/59/69/1192795969.db2.gz WJKCEPAEESIHFT-SQNIBIBYSA-N 2 1 398.548 0.204 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419117288 1192801486 /nfs/dbraw/zinc/80/14/86/1192801486.db2.gz MDGMKDZJDMUHRU-SZMVWBNQSA-N 2 1 382.549 0.968 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419118485 1192801503 /nfs/dbraw/zinc/80/15/03/1192801503.db2.gz NVWMRTZKFSDWCY-KRWDZBQOSA-N 2 1 382.549 0.746 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118560 1192801870 /nfs/dbraw/zinc/80/18/70/1192801870.db2.gz NZMUIQNXBMTCNX-XLIONFOSSA-N 2 1 382.549 0.746 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419135228 1192807612 /nfs/dbraw/zinc/80/76/12/1192807612.db2.gz MCMYLOSUMBKZEW-RYQLBKOJSA-N 2 1 388.512 0.996 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419137205 1192809359 /nfs/dbraw/zinc/80/93/59/1192809359.db2.gz QHDFNWADXBDSLL-GUDVDZBRSA-N 2 1 388.512 0.732 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000419148735 1192810227 /nfs/dbraw/zinc/81/02/27/1192810227.db2.gz KKUKAGHXFKXMPJ-MRXNPFEDSA-N 2 1 393.557 0.098 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000419154276 1192811765 /nfs/dbraw/zinc/81/17/65/1192811765.db2.gz RBGONPCHVJEBIB-LSDHHAIUSA-N 2 1 380.514 0.262 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419166114 1192822770 /nfs/dbraw/zinc/82/27/70/1192822770.db2.gz OJSVJJJAJWLDLL-RBUKOAKNSA-N 2 1 388.512 0.510 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172293 1192826169 /nfs/dbraw/zinc/82/61/69/1192826169.db2.gz YWVNAYOBWTZETP-RBUKOAKNSA-N 2 1 390.528 0.883 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419177692 1192829140 /nfs/dbraw/zinc/82/91/40/1192829140.db2.gz FBQIEZVVHUHVKJ-RCCFBDPRSA-N 2 1 380.533 0.864 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419169457 1192829445 /nfs/dbraw/zinc/82/94/45/1192829445.db2.gz UVNHVWKDQZZPEJ-SFHVURJKSA-N 2 1 388.512 0.604 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C ZINC000410701444 1192841810 /nfs/dbraw/zinc/84/18/10/1192841810.db2.gz MKOHMNZLNNQUEN-SJORKVTESA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C ZINC000410701444 1192841817 /nfs/dbraw/zinc/84/18/17/1192841817.db2.gz MKOHMNZLNNQUEN-SJORKVTESA-N 2 1 382.549 0.887 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419201772 1192842974 /nfs/dbraw/zinc/84/29/74/1192842974.db2.gz GJPVAZRBBWEBQF-FCEWJHQRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419203049 1192845050 /nfs/dbraw/zinc/84/50/50/1192845050.db2.gz HJQULLYTUJYVMA-MRXNPFEDSA-N 2 1 376.501 0.457 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000509724930 1192851741 /nfs/dbraw/zinc/85/17/41/1192851741.db2.gz QPDJSRYHVAOYEH-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)C1 ZINC000419204785 1192857916 /nfs/dbraw/zinc/85/79/16/1192857916.db2.gz JEYJDGBMIGLSGY-LPHOPBHVSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419204776 1192858156 /nfs/dbraw/zinc/85/81/56/1192858156.db2.gz JDVDLUCXTKVTPF-VQIMIIECSA-N 2 1 388.512 0.721 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)ccn1 ZINC000893914316 1192876121 /nfs/dbraw/zinc/87/61/21/1192876121.db2.gz NJAMWYUPKLVMKR-ZWKOTPCHSA-N 2 1 391.516 0.763 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000549787194 1192882731 /nfs/dbraw/zinc/88/27/31/1192882731.db2.gz QHLSHDDPVXXXEW-CEXWTWQISA-N 2 1 394.560 0.935 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000549787194 1192882734 /nfs/dbraw/zinc/88/27/34/1192882734.db2.gz QHLSHDDPVXXXEW-CEXWTWQISA-N 2 1 394.560 0.935 20 0 GCADMP C[NH+]1CC[C@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964771 1192884308 /nfs/dbraw/zinc/88/43/08/1192884308.db2.gz USPLXJJIEKTCHG-RTWAWAEBSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964771 1192884310 /nfs/dbraw/zinc/88/43/10/1192884310.db2.gz USPLXJJIEKTCHG-RTWAWAEBSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964771 1192884314 /nfs/dbraw/zinc/88/43/14/1192884314.db2.gz USPLXJJIEKTCHG-RTWAWAEBSA-N 2 1 399.543 0.640 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000419210404 1192889601 /nfs/dbraw/zinc/88/96/01/1192889601.db2.gz QPUULSXPPUPOHL-MELADBBJSA-N 2 1 378.439 0.881 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000419210404 1192889604 /nfs/dbraw/zinc/88/96/04/1192889604.db2.gz QPUULSXPPUPOHL-MELADBBJSA-N 2 1 378.439 0.881 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779710 1192901105 /nfs/dbraw/zinc/90/11/05/1192901105.db2.gz MDJPNSXXNDVWMC-AOIWGVFYSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779710 1192901106 /nfs/dbraw/zinc/90/11/06/1192901106.db2.gz MDJPNSXXNDVWMC-AOIWGVFYSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779710 1192901108 /nfs/dbraw/zinc/90/11/08/1192901108.db2.gz MDJPNSXXNDVWMC-AOIWGVFYSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419213493 1192901803 /nfs/dbraw/zinc/90/18/03/1192901803.db2.gz LJPIVFMTFPOEDK-HRCADAONSA-N 2 1 376.501 0.766 20 0 GCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000410848621 1192910133 /nfs/dbraw/zinc/91/01/33/1192910133.db2.gz ZMGYXPVUVYLNLK-ZWKOTPCHSA-N 2 1 382.549 0.888 20 0 GCADMP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410972645 1192921639 /nfs/dbraw/zinc/92/16/39/1192921639.db2.gz HREYDHPJDGJVIO-IAGOWNOFSA-N 2 1 380.533 0.356 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410972645 1192921642 /nfs/dbraw/zinc/92/16/42/1192921642.db2.gz HREYDHPJDGJVIO-IAGOWNOFSA-N 2 1 380.533 0.356 20 0 GCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654727293 1184105361 /nfs/dbraw/zinc/10/53/61/1184105361.db2.gz JKYCODDMABSXNV-QZTJIDSGSA-N 2 1 377.533 0.953 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)CCO1 ZINC000642693385 1184243963 /nfs/dbraw/zinc/24/39/63/1184243963.db2.gz WLROYNYUPQNKFK-KCQAQPDRSA-N 2 1 380.514 0.186 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)CCO1 ZINC000642693385 1184243969 /nfs/dbraw/zinc/24/39/69/1184243969.db2.gz WLROYNYUPQNKFK-KCQAQPDRSA-N 2 1 380.514 0.186 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643587229 1184270670 /nfs/dbraw/zinc/27/06/70/1184270670.db2.gz SVOWKOPKWRYLDW-HAGHYFMRSA-N 2 1 384.524 0.958 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1Cc1ccccc1 ZINC000643587229 1184270678 /nfs/dbraw/zinc/27/06/78/1184270678.db2.gz SVOWKOPKWRYLDW-HAGHYFMRSA-N 2 1 384.524 0.958 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109167563 1184331730 /nfs/dbraw/zinc/33/17/30/1184331730.db2.gz RRYNMPADZFETHZ-IBGZPJMESA-N 2 1 383.581 0.796 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000109167565 1184332052 /nfs/dbraw/zinc/33/20/52/1184332052.db2.gz RRYNMPADZFETHZ-LJQANCHMSA-N 2 1 383.581 0.796 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419069842 1184508344 /nfs/dbraw/zinc/50/83/44/1184508344.db2.gz JLFJUZREFPGXDE-UHFFFAOYSA-N 2 1 395.935 0.646 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077076 1184510851 /nfs/dbraw/zinc/51/08/51/1184510851.db2.gz QNMDRBYRHDQQBN-MNEFBYGVSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)CCO1 ZINC000419077076 1184510856 /nfs/dbraw/zinc/51/08/56/1184510856.db2.gz QNMDRBYRHDQQBN-MNEFBYGVSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000683381536 1184621089 /nfs/dbraw/zinc/62/10/89/1184621089.db2.gz MLPDUYAXRBRPJW-HNNXBMFYSA-N 2 1 386.456 0.823 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000683381536 1184621093 /nfs/dbraw/zinc/62/10/93/1184621093.db2.gz MLPDUYAXRBRPJW-HNNXBMFYSA-N 2 1 386.456 0.823 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000275405070 1184655704 /nfs/dbraw/zinc/65/57/04/1184655704.db2.gz FILFXZVGWFPIRN-INIZCTEOSA-N 2 1 376.501 0.814 20 0 GCADMP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000458019110 1184724892 /nfs/dbraw/zinc/72/48/92/1184724892.db2.gz QWFCNODGSBWEGF-SFHVURJKSA-N 2 1 390.532 0.479 20 0 GCADMP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000579931114 1184736865 /nfs/dbraw/zinc/73/68/65/1184736865.db2.gz DCTYTTRRMBPTIH-PKOBYXMFSA-N 2 1 375.517 0.875 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000579928010 1184738893 /nfs/dbraw/zinc/73/88/93/1184738893.db2.gz QLKHWXLNNGJOFE-BDXSIMOUSA-N 2 1 380.533 0.639 20 0 GCADMP CC1(C)CCC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000683561992 1184777352 /nfs/dbraw/zinc/77/73/52/1184777352.db2.gz GGYGANVTSADFKV-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CCC[NH+](CCNC(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000683561992 1184777359 /nfs/dbraw/zinc/77/73/59/1184777359.db2.gz GGYGANVTSADFKV-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CCC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000683561992 1184777366 /nfs/dbraw/zinc/77/73/66/1184777366.db2.gz GGYGANVTSADFKV-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393532 1184815502 /nfs/dbraw/zinc/81/55/02/1184815502.db2.gz LDRRVPFICFYYJT-BPQIPLTHSA-N 2 1 396.532 0.501 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1 ZINC000275637887 1184846535 /nfs/dbraw/zinc/84/65/35/1184846535.db2.gz MNZRMLQNYRYKOU-QZTJIDSGSA-N 2 1 389.500 0.442 20 0 GCADMP C[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)CC1(O)CCOCC1 ZINC000275640058 1184849644 /nfs/dbraw/zinc/84/96/44/1184849644.db2.gz WGRMDQRCCJNNDG-UHFFFAOYSA-N 2 1 377.485 0.931 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642744073 1184852370 /nfs/dbraw/zinc/85/23/70/1184852370.db2.gz XXTDXLNRDGQDNR-GGPKGHCWSA-N 2 1 399.539 0.524 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642743971 1184853016 /nfs/dbraw/zinc/85/30/16/1184853016.db2.gz LZGCZRJBUOJNOX-MSOLQXFVSA-N 2 1 387.528 0.572 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC000642761474 1184925953 /nfs/dbraw/zinc/92/59/53/1184925953.db2.gz KYZOEEAQRVTYQF-QSJFSLAZSA-N 2 1 394.541 0.822 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000642761471 1184926449 /nfs/dbraw/zinc/92/64/49/1184926449.db2.gz KYZOEEAQRVTYQF-IVSAIRAKSA-N 2 1 394.541 0.822 20 0 GCADMP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656029237 1184965470 /nfs/dbraw/zinc/96/54/70/1184965470.db2.gz XEPPJEKVWQZLOK-XWSJACJDSA-N 2 1 392.544 0.864 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000656072338 1185009027 /nfs/dbraw/zinc/00/90/27/1185009027.db2.gz LGTFZVLVCAROHR-UHFFFAOYSA-N 2 1 382.549 0.624 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000580106128 1185066343 /nfs/dbraw/zinc/06/63/43/1185066343.db2.gz DFLPBGVEPNTMRW-IRXDYDNUSA-N 2 1 377.489 0.192 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@H]21 ZINC000580165402 1185098912 /nfs/dbraw/zinc/09/89/12/1185098912.db2.gz GCDPANVURNEEAL-RBUKOAKNSA-N 2 1 392.544 0.500 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000580165456 1185099365 /nfs/dbraw/zinc/09/93/65/1185099365.db2.gz OMJQJXXRSVVKOM-GOSISDBHSA-N 2 1 378.517 0.396 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@@H](C)O1 ZINC000580165419 1185099387 /nfs/dbraw/zinc/09/93/87/1185099387.db2.gz IPZJGQSGGYLNPI-DCXXXQMHSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)O1 ZINC000580165419 1185099389 /nfs/dbraw/zinc/09/93/89/1185099389.db2.gz IPZJGQSGGYLNPI-DCXXXQMHSA-N 2 1 392.544 0.641 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000580187910 1185108830 /nfs/dbraw/zinc/10/88/30/1185108830.db2.gz IPTIERVQWKNJDN-INIZCTEOSA-N 2 1 377.489 0.488 20 0 GCADMP C[NH2+][C@@H](C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cnn(C)c1 ZINC000580190006 1185112969 /nfs/dbraw/zinc/11/29/69/1185112969.db2.gz ARGHUJRYQREIBT-QGZVFWFLSA-N 2 1 386.504 0.189 20 0 GCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000580324467 1185164191 /nfs/dbraw/zinc/16/41/91/1185164191.db2.gz UONFKQJCGJOFTL-HUUCEWRRSA-N 2 1 378.439 0.582 20 0 GCADMP CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000580328944 1185166546 /nfs/dbraw/zinc/16/65/46/1185166546.db2.gz NSCVWMYFIPOPNG-GOSISDBHSA-N 2 1 380.533 0.690 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000683944239 1185239636 /nfs/dbraw/zinc/23/96/36/1185239636.db2.gz ZBKXRWNNHCHEGR-GOSISDBHSA-N 2 1 394.541 0.851 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000683944239 1185239639 /nfs/dbraw/zinc/23/96/39/1185239639.db2.gz ZBKXRWNNHCHEGR-GOSISDBHSA-N 2 1 394.541 0.851 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000580476932 1185245074 /nfs/dbraw/zinc/24/50/74/1185245074.db2.gz PEKSMRSXPPVXCH-QXAKKESOSA-N 2 1 392.544 0.614 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000580535661 1185265440 /nfs/dbraw/zinc/26/54/40/1185265440.db2.gz RXMUAIIDURDYNT-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000557261066 1185281182 /nfs/dbraw/zinc/28/11/82/1185281182.db2.gz JXKBXCQLGTTZPW-ROUUACIJSA-N 2 1 381.565 0.319 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000580640853 1185295934 /nfs/dbraw/zinc/29/59/34/1185295934.db2.gz GGPUUCXEVXMVCQ-INIZCTEOSA-N 2 1 380.533 0.546 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000580668563 1185302183 /nfs/dbraw/zinc/30/21/83/1185302183.db2.gz ONMFNARUOVRWAK-SFHVURJKSA-N 2 1 381.565 0.463 20 0 GCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000580668563 1185302191 /nfs/dbraw/zinc/30/21/91/1185302191.db2.gz ONMFNARUOVRWAK-SFHVURJKSA-N 2 1 381.565 0.463 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000580668563 1185302197 /nfs/dbraw/zinc/30/21/97/1185302197.db2.gz ONMFNARUOVRWAK-SFHVURJKSA-N 2 1 381.565 0.463 20 0 GCADMP C[N@H+](CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000580705179 1185309084 /nfs/dbraw/zinc/30/90/84/1185309084.db2.gz MXKCIKFLUCGGBB-INIZCTEOSA-N 2 1 393.557 0.363 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000580705179 1185309091 /nfs/dbraw/zinc/30/90/91/1185309091.db2.gz MXKCIKFLUCGGBB-INIZCTEOSA-N 2 1 393.557 0.363 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730801 1185317003 /nfs/dbraw/zinc/31/70/03/1185317003.db2.gz MSCCYBVRDVNRFK-IXDOHACOSA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730801 1185317008 /nfs/dbraw/zinc/31/70/08/1185317008.db2.gz MSCCYBVRDVNRFK-IXDOHACOSA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730801 1185317015 /nfs/dbraw/zinc/31/70/15/1185317015.db2.gz MSCCYBVRDVNRFK-IXDOHACOSA-N 2 1 383.537 0.372 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656312113 1185389706 /nfs/dbraw/zinc/38/97/06/1185389706.db2.gz SKQAUXPDZAYVBA-QZTJIDSGSA-N 2 1 392.544 0.881 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000580830967 1185390662 /nfs/dbraw/zinc/39/06/62/1185390662.db2.gz WMNHGTRPMIQIAQ-WBVHZDCISA-N 2 1 387.484 0.191 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000580906406 1185411577 /nfs/dbraw/zinc/41/15/77/1185411577.db2.gz UDCRFEPYYYRDJR-SFHVURJKSA-N 2 1 381.565 0.364 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656330547 1185427382 /nfs/dbraw/zinc/42/73/82/1185427382.db2.gz PSQZORBZLYFYDF-YTQUADARSA-N 2 1 392.544 0.737 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354125 1185448776 /nfs/dbraw/zinc/44/87/76/1185448776.db2.gz FCWPMHWQZFYUCU-OKZBNKHCSA-N 2 1 380.533 0.689 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000656353657 1185449597 /nfs/dbraw/zinc/44/95/97/1185449597.db2.gz BRVXSHFMYCBLGN-ZWKOTPCHSA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000656356347 1185457597 /nfs/dbraw/zinc/45/75/97/1185457597.db2.gz SMRJSFOBGJDWFN-GBESFXJTSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000656356347 1185457604 /nfs/dbraw/zinc/45/76/04/1185457604.db2.gz SMRJSFOBGJDWFN-GBESFXJTSA-N 2 1 391.560 0.358 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)CC2)C1 ZINC000656356350 1185458305 /nfs/dbraw/zinc/45/83/05/1185458305.db2.gz SMRJSFOBGJDWFN-OTWHNJEPSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656356350 1185458315 /nfs/dbraw/zinc/45/83/15/1185458315.db2.gz SMRJSFOBGJDWFN-OTWHNJEPSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656356350 1185458325 /nfs/dbraw/zinc/45/83/25/1185458325.db2.gz SMRJSFOBGJDWFN-OTWHNJEPSA-N 2 1 391.560 0.358 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)CC2)C1 ZINC000656356348 1185458855 /nfs/dbraw/zinc/45/88/55/1185458855.db2.gz SMRJSFOBGJDWFN-IPMKNSEASA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)C1 ZINC000656356348 1185458856 /nfs/dbraw/zinc/45/88/56/1185458856.db2.gz SMRJSFOBGJDWFN-IPMKNSEASA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)C1 ZINC000656356348 1185458858 /nfs/dbraw/zinc/45/88/58/1185458858.db2.gz SMRJSFOBGJDWFN-IPMKNSEASA-N 2 1 391.560 0.358 20 0 GCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656361023 1185464656 /nfs/dbraw/zinc/46/46/56/1185464656.db2.gz XMOQILZOXYLMKR-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000581002288 1185467763 /nfs/dbraw/zinc/46/77/63/1185467763.db2.gz DFESYRLINUZWKS-KRWDZBQOSA-N 2 1 392.525 0.687 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000581031573 1185471992 /nfs/dbraw/zinc/47/19/92/1185471992.db2.gz IRQKPMPOJONOKJ-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000581031573 1185471997 /nfs/dbraw/zinc/47/19/97/1185471997.db2.gz IRQKPMPOJONOKJ-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000471637545 1185472487 /nfs/dbraw/zinc/47/24/87/1185472487.db2.gz XGHIPFOCDWQDGA-RTBURBONSA-N 2 1 378.517 0.747 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581063705 1185481410 /nfs/dbraw/zinc/48/14/10/1185481410.db2.gz NOSPJXDIOSKPAD-YOEHRIQHSA-N 2 1 380.533 0.591 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000581062897 1185482701 /nfs/dbraw/zinc/48/27/01/1185482701.db2.gz QXOSAPUMCROVNN-QGZVFWFLSA-N 2 1 381.565 0.223 20 0 GCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000581062897 1185482704 /nfs/dbraw/zinc/48/27/04/1185482704.db2.gz QXOSAPUMCROVNN-QGZVFWFLSA-N 2 1 381.565 0.223 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000581062897 1185482706 /nfs/dbraw/zinc/48/27/06/1185482706.db2.gz QXOSAPUMCROVNN-QGZVFWFLSA-N 2 1 381.565 0.223 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC[C@H]21 ZINC000581078037 1185488112 /nfs/dbraw/zinc/48/81/12/1185488112.db2.gz RIFQUKZIAUYOMF-NXWXRZEISA-N 2 1 392.544 0.423 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000581082094 1185490397 /nfs/dbraw/zinc/49/03/97/1185490397.db2.gz HFLWHXTUDYRFDN-SZMVWBNQSA-N 2 1 379.549 0.260 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000581086543 1185491260 /nfs/dbraw/zinc/49/12/60/1185491260.db2.gz GVXNECHEBOWJDC-QGZVFWFLSA-N 3 1 383.581 0.565 20 0 GCADMP CN(C(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152422 1185503779 /nfs/dbraw/zinc/50/37/79/1185503779.db2.gz BZEVKIGOFGWBSG-RXVVDRJESA-N 2 1 393.576 0.591 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419449709 1185508814 /nfs/dbraw/zinc/50/88/14/1185508814.db2.gz KHZBPDPKYOSICQ-FGTMMUONSA-N 2 1 387.528 0.699 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000581211033 1185531667 /nfs/dbraw/zinc/53/16/67/1185531667.db2.gz DYKJHHZBUUVTHD-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000581211033 1185531674 /nfs/dbraw/zinc/53/16/74/1185531674.db2.gz DYKJHHZBUUVTHD-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000581211033 1185531678 /nfs/dbraw/zinc/53/16/78/1185531678.db2.gz DYKJHHZBUUVTHD-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299806 1185574438 /nfs/dbraw/zinc/57/44/38/1185574438.db2.gz HXCFXTHZPYTMSU-DLBZAZTESA-N 2 1 377.533 0.857 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCOCC[NH+](C)C ZINC000471643331 1185577168 /nfs/dbraw/zinc/57/71/68/1185577168.db2.gz HJOPRJUYTYGCIE-HXUWFJFHSA-N 2 1 378.517 0.843 20 0 GCADMP COc1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1S(=O)(=O)N(C)C ZINC000581315609 1185587910 /nfs/dbraw/zinc/58/79/10/1185587910.db2.gz KPCZIKYWPVQFEU-UHFFFAOYSA-N 2 1 398.529 0.945 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000581324615 1185595954 /nfs/dbraw/zinc/59/59/54/1185595954.db2.gz LAZILCHBMOUBMF-RBUKOAKNSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000581324615 1185595960 /nfs/dbraw/zinc/59/59/60/1185595960.db2.gz LAZILCHBMOUBMF-RBUKOAKNSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000581324615 1185595962 /nfs/dbraw/zinc/59/59/62/1185595962.db2.gz LAZILCHBMOUBMF-RBUKOAKNSA-N 2 1 393.576 0.463 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000581361968 1185614140 /nfs/dbraw/zinc/61/41/40/1185614140.db2.gz FENGVYQYNAHPGZ-LJQANCHMSA-N 2 1 396.576 0.918 20 0 GCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000581361968 1185614143 /nfs/dbraw/zinc/61/41/43/1185614143.db2.gz FENGVYQYNAHPGZ-LJQANCHMSA-N 2 1 396.576 0.918 20 0 GCADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000581361968 1185614146 /nfs/dbraw/zinc/61/41/46/1185614146.db2.gz FENGVYQYNAHPGZ-LJQANCHMSA-N 2 1 396.576 0.918 20 0 GCADMP CCCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346516 1185619121 /nfs/dbraw/zinc/61/91/21/1185619121.db2.gz FHOMALXGAZJKHT-BRSBDYLESA-N 2 1 392.548 0.981 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104346930 1185619617 /nfs/dbraw/zinc/61/96/17/1185619617.db2.gz LKFLSQDJJFMTQQ-PSBWJHGTSA-N 2 1 377.533 0.756 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCc1cnn(C)c1 ZINC001104346930 1185619621 /nfs/dbraw/zinc/61/96/21/1185619621.db2.gz LKFLSQDJJFMTQQ-PSBWJHGTSA-N 2 1 377.533 0.756 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104347410 1185619639 /nfs/dbraw/zinc/61/96/39/1185619639.db2.gz YRRHSWSBJRCFQI-JOCBIADPSA-N 2 1 380.533 0.306 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCNC(=O)C1CC1 ZINC001104347410 1185619642 /nfs/dbraw/zinc/61/96/42/1185619642.db2.gz YRRHSWSBJRCFQI-JOCBIADPSA-N 2 1 380.533 0.306 20 0 GCADMP CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346459 1185619971 /nfs/dbraw/zinc/61/99/71/1185619971.db2.gz BXTCUHQDWLTHIX-QBPKDAKJSA-N 2 1 378.521 0.591 20 0 GCADMP CCn1ncnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346459 1185619975 /nfs/dbraw/zinc/61/99/75/1185619975.db2.gz BXTCUHQDWLTHIX-QBPKDAKJSA-N 2 1 378.521 0.591 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCOCC[NH+](C)C ZINC000471648762 1185647588 /nfs/dbraw/zinc/64/75/88/1185647588.db2.gz WONZFSAHYCZDKI-KRWDZBQOSA-N 2 1 378.521 0.470 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC000581415468 1185664952 /nfs/dbraw/zinc/66/49/52/1185664952.db2.gz WCAYUBNXENVFMN-KSZLIROESA-N 2 1 379.549 0.164 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC000581415468 1185664955 /nfs/dbraw/zinc/66/49/55/1185664955.db2.gz WCAYUBNXENVFMN-KSZLIROESA-N 2 1 379.549 0.164 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000581419029 1185666299 /nfs/dbraw/zinc/66/62/99/1185666299.db2.gz XOUYFHRUVMIQGU-RCCFBDPRSA-N 2 1 395.548 0.659 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000891391955 1185678078 /nfs/dbraw/zinc/67/80/78/1185678078.db2.gz GODNRDFNAZWRNX-ROUUACIJSA-N 2 1 387.484 0.603 20 0 GCADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000891391372 1185678289 /nfs/dbraw/zinc/67/82/89/1185678289.db2.gz DIRUWNCSBBOGLY-DOTOQJQBSA-N 2 1 389.500 0.979 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000581423501 1185685289 /nfs/dbraw/zinc/68/52/89/1185685289.db2.gz UOURRKSMUGBDMJ-TZNCUMHOSA-N 2 1 380.533 0.530 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430603941 1185688297 /nfs/dbraw/zinc/68/82/97/1185688297.db2.gz OXFUVDDCACWNRH-CQSZACIVSA-N 2 1 376.457 0.573 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430603941 1185688303 /nfs/dbraw/zinc/68/83/03/1185688303.db2.gz OXFUVDDCACWNRH-CQSZACIVSA-N 2 1 376.457 0.573 20 0 GCADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(C)CC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000430603411 1185695519 /nfs/dbraw/zinc/69/55/19/1185695519.db2.gz NIRJNQFEBLUKNY-UHFFFAOYSA-N 2 1 387.528 0.003 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430609149 1185755081 /nfs/dbraw/zinc/75/50/81/1185755081.db2.gz GYNFSPGSTNUTDH-CQSZACIVSA-N 2 1 382.892 0.622 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611930 1185758095 /nfs/dbraw/zinc/75/80/95/1185758095.db2.gz QDFVJIOMOQEZON-HOTGVXAUSA-N 2 1 376.505 0.935 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611930 1185758101 /nfs/dbraw/zinc/75/81/01/1185758101.db2.gz QDFVJIOMOQEZON-HOTGVXAUSA-N 2 1 376.505 0.935 20 0 GCADMP COCCOCC[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639723211 1185770277 /nfs/dbraw/zinc/77/02/77/1185770277.db2.gz CBYMFWPAGNSVCK-OAQYLSRUSA-N 2 1 377.529 0.904 20 0 GCADMP COCCOCC[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639723211 1185770278 /nfs/dbraw/zinc/77/02/78/1185770278.db2.gz CBYMFWPAGNSVCK-OAQYLSRUSA-N 2 1 377.529 0.904 20 0 GCADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430615592 1185778680 /nfs/dbraw/zinc/77/86/80/1185778680.db2.gz CJFBUDBVODXETK-QGZVFWFLSA-N 2 1 394.541 0.581 20 0 GCADMP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430616602 1185784988 /nfs/dbraw/zinc/78/49/88/1185784988.db2.gz GIEHLPTUERZSGH-INIZCTEOSA-N 2 1 387.484 0.727 20 0 GCADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430616602 1185784993 /nfs/dbraw/zinc/78/49/93/1185784993.db2.gz GIEHLPTUERZSGH-INIZCTEOSA-N 2 1 387.484 0.727 20 0 GCADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430617972 1185785621 /nfs/dbraw/zinc/78/56/21/1185785621.db2.gz QIGSOVPGYKBCHY-LJQANCHMSA-N 2 1 388.512 0.593 20 0 GCADMP Cn1c(=O)c(C(=O)C[NH+]2CCC(C[NH3+])CC2)c(N)n(Cc2ccccc2)c1=O ZINC000581607904 1185785981 /nfs/dbraw/zinc/78/59/81/1185785981.db2.gz BIKQFQCZADRCOW-UHFFFAOYSA-N 2 1 385.468 0.031 20 0 GCADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619901 1185793355 /nfs/dbraw/zinc/79/33/55/1185793355.db2.gz BLXWEOQUYSAVFY-UKRRQHHQSA-N 2 1 375.473 0.160 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1c(F)cccc1F ZINC000430620519 1185796578 /nfs/dbraw/zinc/79/65/78/1185796578.db2.gz IEDUGJUKOSEZSI-HNNXBMFYSA-N 2 1 394.466 0.767 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000430620685 1185796900 /nfs/dbraw/zinc/79/69/00/1185796900.db2.gz COLSEDINKHJCEU-MSOLQXFVSA-N 2 1 386.496 0.250 20 0 GCADMP O=C([C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621735 1185797566 /nfs/dbraw/zinc/79/75/66/1185797566.db2.gz DCWKYAUARBKTMO-MRXNPFEDSA-N 2 1 380.514 0.109 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccc2nsnc21 ZINC000430621361 1185799312 /nfs/dbraw/zinc/79/93/12/1185799312.db2.gz JCTOGYMNHCAARS-CYBMUJFWSA-N 2 1 388.497 0.774 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccc2nsnc21 ZINC000430621361 1185799320 /nfs/dbraw/zinc/79/93/20/1185799320.db2.gz JCTOGYMNHCAARS-CYBMUJFWSA-N 2 1 388.497 0.774 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCc2cnn(-c3ccccc3)c2)C1 ZINC000430625847 1185810462 /nfs/dbraw/zinc/81/04/62/1185810462.db2.gz KPBWQCCVENOMLG-SFHVURJKSA-N 2 1 398.511 0.318 20 0 GCADMP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430627190 1185813264 /nfs/dbraw/zinc/81/32/64/1185813264.db2.gz MQWRQJVXMLFZDT-INIZCTEOSA-N 2 1 389.500 0.091 20 0 GCADMP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430627190 1185813270 /nfs/dbraw/zinc/81/32/70/1185813270.db2.gz MQWRQJVXMLFZDT-INIZCTEOSA-N 2 1 389.500 0.091 20 0 GCADMP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430629555 1185817391 /nfs/dbraw/zinc/81/73/91/1185817391.db2.gz OPWVBZKOGXJPNT-KRWDZBQOSA-N 2 1 376.476 0.928 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCc2nc3ccccc3s2)C1 ZINC000430629459 1185818162 /nfs/dbraw/zinc/81/81/62/1185818162.db2.gz QBRDBDMOENXRST-AWEZNQCLSA-N 2 1 389.525 0.742 20 0 GCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000625797835 1185836356 /nfs/dbraw/zinc/83/63/56/1185836356.db2.gz IHURPEAQBAZZFV-RBUKOAKNSA-N 2 1 398.511 0.845 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430639893 1185842341 /nfs/dbraw/zinc/84/23/41/1185842341.db2.gz GPRAPAJPQXYANQ-KRWDZBQOSA-N 2 1 384.484 0.275 20 0 GCADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430638645 1185843135 /nfs/dbraw/zinc/84/31/35/1185843135.db2.gz CVUHIQTVXKVYSB-INIZCTEOSA-N 2 1 383.514 0.757 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430639392 1185843749 /nfs/dbraw/zinc/84/37/49/1185843749.db2.gz HYVYSYOETMGCDK-QGZVFWFLSA-N 3 1 379.549 0.119 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000430639392 1185843756 /nfs/dbraw/zinc/84/37/56/1185843756.db2.gz HYVYSYOETMGCDK-QGZVFWFLSA-N 2 1 379.549 0.119 20 0 GCADMP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430641756 1185847369 /nfs/dbraw/zinc/84/73/69/1185847369.db2.gz UCVYFGVIQDFTJK-UHFFFAOYSA-N 2 1 381.864 0.131 20 0 GCADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000430641413 1185850049 /nfs/dbraw/zinc/85/00/49/1185850049.db2.gz STTZMSSXSVSGRP-GFCCVEGCSA-N 2 1 395.891 0.554 20 0 GCADMP CN(CCCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430647349 1185862450 /nfs/dbraw/zinc/86/24/50/1185862450.db2.gz XTAFOHADDSJLSJ-KRWDZBQOSA-N 2 1 375.517 0.416 20 0 GCADMP CCN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000625857959 1185906217 /nfs/dbraw/zinc/90/62/17/1185906217.db2.gz IOGQUQQOPAXLHZ-UHFFFAOYSA-N 2 1 383.518 0.825 20 0 GCADMP CCN(CC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000625857959 1185906221 /nfs/dbraw/zinc/90/62/21/1185906221.db2.gz IOGQUQQOPAXLHZ-UHFFFAOYSA-N 2 1 383.518 0.825 20 0 GCADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430664906 1185918373 /nfs/dbraw/zinc/91/83/73/1185918373.db2.gz LYTCNRQUVWCDTB-SFHVURJKSA-N 2 1 388.512 0.634 20 0 GCADMP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565020 1185920155 /nfs/dbraw/zinc/92/01/55/1185920155.db2.gz OIUVEEPOIKXMLS-IBGZPJMESA-N 2 1 387.528 0.538 20 0 GCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891566289 1185920890 /nfs/dbraw/zinc/92/08/90/1185920890.db2.gz TZOXBXXSFGOBNU-VQTJNVASSA-N 2 1 387.528 0.407 20 0 GCADMP [NH3+][C@H](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000891567867 1185923336 /nfs/dbraw/zinc/92/33/36/1185923336.db2.gz XKGLNZFTMWIUON-WOJBJXKFSA-N 2 1 389.544 0.652 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000785073399 1185948547 /nfs/dbraw/zinc/94/85/47/1185948547.db2.gz KUGQBVYKYNUQPT-UHFFFAOYSA-N 2 1 391.516 0.461 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581971192 1186016722 /nfs/dbraw/zinc/01/67/22/1186016722.db2.gz LYRYUIXQZGHKIR-HKUYNNGSSA-N 2 1 392.544 0.690 20 0 GCADMP C[N@H+](CCNC(=O)C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000430791872 1186031315 /nfs/dbraw/zinc/03/13/15/1186031315.db2.gz FXQNAQUHJCYPDS-LJQANCHMSA-N 2 1 388.512 0.462 20 0 GCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000430791872 1186031322 /nfs/dbraw/zinc/03/13/22/1186031322.db2.gz FXQNAQUHJCYPDS-LJQANCHMSA-N 2 1 388.512 0.462 20 0 GCADMP C[C@@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430931176 1186054813 /nfs/dbraw/zinc/05/48/13/1186054813.db2.gz AYIVOQOJMKEWTE-CRAIPNDOSA-N 2 1 383.514 0.755 20 0 GCADMP C[C@@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430931176 1186054818 /nfs/dbraw/zinc/05/48/18/1186054818.db2.gz AYIVOQOJMKEWTE-CRAIPNDOSA-N 2 1 383.514 0.755 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854055 1186093866 /nfs/dbraw/zinc/09/38/66/1186093866.db2.gz ADKZPGOLDJCAPZ-NXOAAHMSSA-N 2 1 395.504 0.064 20 0 GCADMP COc1ccccc1[C@H](N)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000431018814 1186103824 /nfs/dbraw/zinc/10/38/24/1186103824.db2.gz YCDNTBYFAKIVEI-XLIONFOSSA-N 2 1 390.528 0.948 20 0 GCADMP COCC[C@@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000431028161 1186107100 /nfs/dbraw/zinc/10/71/00/1186107100.db2.gz NJMYIGNTQWJZJJ-FQEVSTJZSA-N 2 1 375.517 0.726 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000933847428 1186109393 /nfs/dbraw/zinc/10/93/93/1186109393.db2.gz GRIBRIHZLLJUAC-ZWKOTPCHSA-N 2 1 393.576 0.319 20 0 GCADMP CCC[N@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000431072490 1186119504 /nfs/dbraw/zinc/11/95/04/1186119504.db2.gz ZBNUDVDTNJUHTN-UHFFFAOYSA-N 2 1 381.565 0.509 20 0 GCADMP CCC[N@@H+](CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CC[NH2+]CC1 ZINC000431072490 1186119511 /nfs/dbraw/zinc/11/95/11/1186119511.db2.gz ZBNUDVDTNJUHTN-UHFFFAOYSA-N 2 1 381.565 0.509 20 0 GCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000410478155 1186192101 /nfs/dbraw/zinc/19/21/01/1186192101.db2.gz YHWKNBRABXCGGO-HKUYNNGSSA-N 2 1 387.528 0.915 20 0 GCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000410478155 1186192103 /nfs/dbraw/zinc/19/21/03/1186192103.db2.gz YHWKNBRABXCGGO-HKUYNNGSSA-N 2 1 387.528 0.915 20 0 GCADMP C[C@H]1CC[NH+](C)CCN1C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000410478155 1186192105 /nfs/dbraw/zinc/19/21/05/1186192105.db2.gz YHWKNBRABXCGGO-HKUYNNGSSA-N 2 1 387.528 0.915 20 0 GCADMP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891953052 1186197511 /nfs/dbraw/zinc/19/75/11/1186197511.db2.gz MIJQAXJYZZQAOH-QGZVFWFLSA-N 2 1 396.532 0.326 20 0 GCADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891953100 1186197648 /nfs/dbraw/zinc/19/76/48/1186197648.db2.gz NNCRUGZGTCLOBA-LJQANCHMSA-N 2 1 388.512 0.882 20 0 GCADMP C[N@@H+]1CCC[C@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000458160736 1186209488 /nfs/dbraw/zinc/20/94/88/1186209488.db2.gz GUEAHAGWQYTJCJ-QZTJIDSGSA-N 2 1 380.533 0.548 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000458160736 1186209492 /nfs/dbraw/zinc/20/94/92/1186209492.db2.gz GUEAHAGWQYTJCJ-QZTJIDSGSA-N 2 1 380.533 0.548 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458239236 1186218720 /nfs/dbraw/zinc/21/87/20/1186218720.db2.gz ZBBPPBOJPJJHCD-DLBZAZTESA-N 2 1 383.537 0.075 20 0 GCADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007920 1186306177 /nfs/dbraw/zinc/30/61/77/1186306177.db2.gz COEVSJYGEVUDMF-MOPGFXCFSA-N 2 1 381.565 0.990 20 0 GCADMP C[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000511045015 1186354119 /nfs/dbraw/zinc/35/41/19/1186354119.db2.gz JWLPXXPEGDSNOH-SFHVURJKSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)nn(C)c3N3CCOCC3)C2)CC1 ZINC000119618221 1186379340 /nfs/dbraw/zinc/37/93/40/1186379340.db2.gz BZNOUHYYPYWPMM-SFHVURJKSA-N 2 1 376.549 0.777 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156987 1186380829 /nfs/dbraw/zinc/38/08/29/1186380829.db2.gz UGXPMUFRRVYQIE-CABCVRRESA-N 2 1 375.464 0.079 20 0 GCADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@@H](C[NH3+])C1 ZINC000582052989 1186384284 /nfs/dbraw/zinc/38/42/84/1186384284.db2.gz ZATTZLGCMLBGMQ-ZOBUZTSGSA-N 2 1 393.557 0.349 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000892168410 1186392715 /nfs/dbraw/zinc/39/27/15/1186392715.db2.gz JBGWRZHNOVXTLC-RTBURBONSA-N 2 1 376.501 0.874 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000892168410 1186392721 /nfs/dbraw/zinc/39/27/21/1186392721.db2.gz JBGWRZHNOVXTLC-RTBURBONSA-N 2 1 376.501 0.874 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000642897315 1186416816 /nfs/dbraw/zinc/41/68/16/1186416816.db2.gz URELSTLPVAKRQP-UHFFFAOYSA-N 2 1 387.528 0.051 20 0 GCADMP CC[C@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001709321744 1186419438 /nfs/dbraw/zinc/41/94/38/1186419438.db2.gz GIWIQVFGQQTYSY-SFHVURJKSA-N 2 1 380.537 0.856 20 0 GCADMP CC[C@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001709321744 1186419442 /nfs/dbraw/zinc/41/94/42/1186419442.db2.gz GIWIQVFGQQTYSY-SFHVURJKSA-N 2 1 380.537 0.856 20 0 GCADMP [NH3+]Cc1ccc(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000892212413 1186445576 /nfs/dbraw/zinc/44/55/76/1186445576.db2.gz VVLDCQSSKHIKFQ-IBGZPJMESA-N 2 1 375.517 0.741 20 0 GCADMP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)cc1 ZINC000892212415 1186446826 /nfs/dbraw/zinc/44/68/26/1186446826.db2.gz VVLDCQSSKHIKFQ-LJQANCHMSA-N 2 1 375.517 0.741 20 0 GCADMP C[C@@H](c1ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc1)[NH+]1CCOCC1 ZINC000892219569 1186460255 /nfs/dbraw/zinc/46/02/55/1186460255.db2.gz SXDZVFMNSKSMSP-HNNXBMFYSA-N 2 1 378.473 0.059 20 0 GCADMP C[C@@H](c1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)cc1)[NH+]1CCOCC1 ZINC000892219569 1186460259 /nfs/dbraw/zinc/46/02/59/1186460259.db2.gz SXDZVFMNSKSMSP-HNNXBMFYSA-N 2 1 378.473 0.059 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000582257562 1186476297 /nfs/dbraw/zinc/47/62/97/1186476297.db2.gz FWXDRCBDAOCKQM-QZTJIDSGSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000582257562 1186476301 /nfs/dbraw/zinc/47/63/01/1186476301.db2.gz FWXDRCBDAOCKQM-QZTJIDSGSA-N 2 1 382.549 0.698 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000582289093 1186487523 /nfs/dbraw/zinc/48/75/23/1186487523.db2.gz YQLNISPEDUXAIT-UHFFFAOYSA-N 2 1 375.517 0.613 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)CC[NH+](C)C ZINC000582289093 1186487528 /nfs/dbraw/zinc/48/75/28/1186487528.db2.gz YQLNISPEDUXAIT-UHFFFAOYSA-N 2 1 375.517 0.613 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315902 1186492722 /nfs/dbraw/zinc/49/27/22/1186492722.db2.gz NNHITOURUSDOLL-RBUKOAKNSA-N 2 1 391.560 0.404 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000413485257 1186525488 /nfs/dbraw/zinc/52/54/88/1186525488.db2.gz GYXWTJYAJPYUIA-KRWDZBQOSA-N 2 1 386.537 0.476 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000413485257 1186525492 /nfs/dbraw/zinc/52/54/92/1186525492.db2.gz GYXWTJYAJPYUIA-KRWDZBQOSA-N 2 1 386.537 0.476 20 0 GCADMP C[NH2+]CCCC(=O)N1CCC(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)CC1 ZINC000892265864 1186557135 /nfs/dbraw/zinc/55/71/35/1186557135.db2.gz UXYZSQHDGCMAAK-INIZCTEOSA-N 2 1 383.537 0.121 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)CC2)c1 ZINC000582600356 1186580462 /nfs/dbraw/zinc/58/04/62/1186580462.db2.gz WSQKDMKVPNHPFD-QZTJIDSGSA-N 2 1 385.512 0.887 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000125384167 1186583975 /nfs/dbraw/zinc/58/39/75/1186583975.db2.gz AQPONVAKPXPABO-UHFFFAOYSA-N 2 1 384.484 0.558 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000125384167 1186583978 /nfs/dbraw/zinc/58/39/78/1186583978.db2.gz AQPONVAKPXPABO-UHFFFAOYSA-N 2 1 384.484 0.558 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000582628000 1186590545 /nfs/dbraw/zinc/59/05/45/1186590545.db2.gz MTMJYEWACWWRBN-SQNIBIBYSA-N 2 1 380.533 0.279 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000582628000 1186590551 /nfs/dbraw/zinc/59/05/51/1186590551.db2.gz MTMJYEWACWWRBN-SQNIBIBYSA-N 2 1 380.533 0.279 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431468240 1186597389 /nfs/dbraw/zinc/59/73/89/1186597389.db2.gz CJPFUTWANDFYBE-SFHVURJKSA-N 2 1 396.580 0.304 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582670426 1186604911 /nfs/dbraw/zinc/60/49/11/1186604911.db2.gz YBQGOQGOQIANEH-YLJYHZDGSA-N 2 1 389.519 0.842 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000125754155 1186610532 /nfs/dbraw/zinc/61/05/32/1186610532.db2.gz LFQMZJLSRVGXNM-UHFFFAOYSA-N 2 1 398.511 0.770 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000153130396 1186626257 /nfs/dbraw/zinc/62/62/57/1186626257.db2.gz RTEKGVJGLBGTNU-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000153130396 1186626259 /nfs/dbraw/zinc/62/62/59/1186626259.db2.gz RTEKGVJGLBGTNU-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582846281 1186709463 /nfs/dbraw/zinc/70/94/63/1186709463.db2.gz FNMDZFHTZOFGGR-OALUTQOASA-N 2 1 392.544 0.548 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000642927029 1186711057 /nfs/dbraw/zinc/71/10/57/1186711057.db2.gz GWAKKZXGMFHARK-UHFFFAOYSA-N 2 1 397.589 0.858 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000472274300 1186741961 /nfs/dbraw/zinc/74/19/61/1186741961.db2.gz DINAVSWYOXKOFZ-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000472274300 1186741964 /nfs/dbraw/zinc/74/19/64/1186741964.db2.gz DINAVSWYOXKOFZ-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCCC2)CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000583149360 1186781638 /nfs/dbraw/zinc/78/16/38/1186781638.db2.gz MYVPRCKXIQAVAT-INIZCTEOSA-N 2 1 378.517 0.514 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@@H]2C1 ZINC000583340551 1186831168 /nfs/dbraw/zinc/83/11/68/1186831168.db2.gz QNMWOOYQSWAPQS-LZLYRXPVSA-N 2 1 378.517 0.156 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)C[C@H](C)O1 ZINC000583558917 1186886109 /nfs/dbraw/zinc/88/61/09/1186886109.db2.gz VYGYQWBUYPBFTQ-NBMJBFSESA-N 2 1 392.544 0.545 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000472293055 1186889197 /nfs/dbraw/zinc/88/91/97/1186889197.db2.gz NBTDXPZPJCLQDF-GOSISDBHSA-N 2 1 380.533 0.500 20 0 GCADMP CN(CCC[NH3+])C(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000583705396 1186923733 /nfs/dbraw/zinc/92/37/33/1186923733.db2.gz YILUDBFFXOJOEI-UHFFFAOYSA-N 2 1 389.544 0.508 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329375951 1186926866 /nfs/dbraw/zinc/92/68/66/1186926866.db2.gz OBGQQWLXOBDNMF-RBUKOAKNSA-N 2 1 392.544 0.787 20 0 GCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000583725107 1186926937 /nfs/dbraw/zinc/92/69/37/1186926937.db2.gz UJJFGXZYVBPCJP-INIZCTEOSA-N 2 1 377.489 0.003 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000329437998 1186939708 /nfs/dbraw/zinc/93/97/08/1186939708.db2.gz JOOITZPDTYNUSC-RTBURBONSA-N 2 1 392.544 0.787 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CCCO1 ZINC000458710750 1186955714 /nfs/dbraw/zinc/95/57/14/1186955714.db2.gz FGJVCMKNCDMFIM-SFHVURJKSA-N 2 1 397.564 0.779 20 0 GCADMP C[N@@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000584086796 1186996961 /nfs/dbraw/zinc/99/69/61/1186996961.db2.gz CFIWXXLNOPAUFN-LJQANCHMSA-N 2 1 379.480 0.314 20 0 GCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000584086796 1186996962 /nfs/dbraw/zinc/99/69/62/1186996962.db2.gz CFIWXXLNOPAUFN-LJQANCHMSA-N 2 1 379.480 0.314 20 0 GCADMP C[N@@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000584086795 1186997012 /nfs/dbraw/zinc/99/70/12/1186997012.db2.gz CFIWXXLNOPAUFN-IBGZPJMESA-N 2 1 379.480 0.314 20 0 GCADMP C[N@H+]1CC[C@](O)(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000584086795 1186997013 /nfs/dbraw/zinc/99/70/13/1186997013.db2.gz CFIWXXLNOPAUFN-IBGZPJMESA-N 2 1 379.480 0.314 20 0 GCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000584277681 1187024355 /nfs/dbraw/zinc/02/43/55/1187024355.db2.gz BSIIMFFJFSSJHP-AKHDSKFASA-N 2 1 391.560 0.166 20 0 GCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000584292155 1187026575 /nfs/dbraw/zinc/02/65/75/1187026575.db2.gz VWBUEKHWOOLZTQ-UXHICEINSA-N 3 1 379.593 0.983 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000584399370 1187050407 /nfs/dbraw/zinc/05/04/07/1187050407.db2.gz ZHCWDJQFSWLNCV-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304083 1187061360 /nfs/dbraw/zinc/06/13/60/1187061360.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304083 1187061363 /nfs/dbraw/zinc/06/13/63/1187061363.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304083 1187061365 /nfs/dbraw/zinc/06/13/65/1187061365.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685304083 1187061369 /nfs/dbraw/zinc/06/13/69/1187061369.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685304083 1187061372 /nfs/dbraw/zinc/06/13/72/1187061372.db2.gz YTTCXDTVVRBKEW-ATZDWAIDSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306301 1187062786 /nfs/dbraw/zinc/06/27/86/1187062786.db2.gz AUNIYSMRYYUITI-XYJFISCASA-N 2 1 378.517 0.156 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310516 1187069832 /nfs/dbraw/zinc/06/98/32/1187069832.db2.gz YXWVDLCPVLEBOB-CRAIPNDOSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1nc2ccccn2c1=O ZINC000600982782 1187074311 /nfs/dbraw/zinc/07/43/11/1187074311.db2.gz GFDGSLURMVTJIV-QGZVFWFLSA-N 2 1 388.516 0.761 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000657870587 1187079496 /nfs/dbraw/zinc/07/94/96/1187079496.db2.gz MQXRMYBXFIDJTH-INIZCTEOSA-N 2 1 389.500 0.034 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1CC(C)(C)O ZINC000657870587 1187079501 /nfs/dbraw/zinc/07/95/01/1187079501.db2.gz MQXRMYBXFIDJTH-INIZCTEOSA-N 2 1 389.500 0.034 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685338995 1187103126 /nfs/dbraw/zinc/10/31/26/1187103126.db2.gz BPMPKPVKEDTQHZ-YTQUADARSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685338995 1187103129 /nfs/dbraw/zinc/10/31/29/1187103129.db2.gz BPMPKPVKEDTQHZ-YTQUADARSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685338995 1187103131 /nfs/dbraw/zinc/10/31/31/1187103131.db2.gz BPMPKPVKEDTQHZ-YTQUADARSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338995 1187103134 /nfs/dbraw/zinc/10/31/34/1187103134.db2.gz BPMPKPVKEDTQHZ-YTQUADARSA-N 2 1 388.512 0.555 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)o1 ZINC000685340231 1187103646 /nfs/dbraw/zinc/10/36/46/1187103646.db2.gz PKAQSBXKTPMGFD-WBVHZDCISA-N 2 1 380.489 0.314 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000685340231 1187103651 /nfs/dbraw/zinc/10/36/51/1187103651.db2.gz PKAQSBXKTPMGFD-WBVHZDCISA-N 2 1 380.489 0.314 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342852 1187108355 /nfs/dbraw/zinc/10/83/55/1187108355.db2.gz JUWPNKPQPUQVBN-APWZRJJASA-N 2 1 390.528 0.932 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342852 1187108358 /nfs/dbraw/zinc/10/83/58/1187108358.db2.gz JUWPNKPQPUQVBN-APWZRJJASA-N 2 1 390.528 0.932 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343652 1187109206 /nfs/dbraw/zinc/10/92/06/1187109206.db2.gz XWZVKWBYUIKCKA-SZMVWBNQSA-N 2 1 382.549 0.839 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343652 1187109208 /nfs/dbraw/zinc/10/92/08/1187109208.db2.gz XWZVKWBYUIKCKA-SZMVWBNQSA-N 2 1 382.549 0.839 20 0 GCADMP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685342909 1187109289 /nfs/dbraw/zinc/10/92/89/1187109289.db2.gz OWESYPQZNNWNBQ-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685342909 1187109290 /nfs/dbraw/zinc/10/92/90/1187109290.db2.gz OWESYPQZNNWNBQ-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685342909 1187109293 /nfs/dbraw/zinc/10/92/93/1187109293.db2.gz OWESYPQZNNWNBQ-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685342909 1187109294 /nfs/dbraw/zinc/10/92/94/1187109294.db2.gz OWESYPQZNNWNBQ-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000685519999 1187141946 /nfs/dbraw/zinc/14/19/46/1187141946.db2.gz BCXNXZBOIIFRQJ-SJORKVTESA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000685519999 1187141948 /nfs/dbraw/zinc/14/19/48/1187141948.db2.gz BCXNXZBOIIFRQJ-SJORKVTESA-N 2 1 380.533 0.404 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2O)CC[N@H+]1C ZINC001023969057 1187201287 /nfs/dbraw/zinc/20/12/87/1187201287.db2.gz FFIBMQSCSVZLIM-QBPKDAKJSA-N 2 1 380.533 0.279 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)O1 ZINC000972738239 1187209779 /nfs/dbraw/zinc/20/97/79/1187209779.db2.gz VEPYFLTWXAZQFD-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)[C@@H]3C2)O1 ZINC000972738239 1187209780 /nfs/dbraw/zinc/20/97/80/1187209780.db2.gz VEPYFLTWXAZQFD-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+](C)C4CCC4)[C@@H]3C2)O1 ZINC000972738239 1187209781 /nfs/dbraw/zinc/20/97/81/1187209781.db2.gz VEPYFLTWXAZQFD-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)[C@@H]3C2)O1 ZINC000972738239 1187209782 /nfs/dbraw/zinc/20/97/82/1187209782.db2.gz VEPYFLTWXAZQFD-JOCBIADPSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)O1 ZINC000972854871 1187280443 /nfs/dbraw/zinc/28/04/43/1187280443.db2.gz IPOOKGJVASUGHG-QBPKDAKJSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)O1 ZINC000972854871 1187280449 /nfs/dbraw/zinc/28/04/49/1187280449.db2.gz IPOOKGJVASUGHG-QBPKDAKJSA-N 2 1 378.517 0.249 20 0 GCADMP Cc1nc2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cn2n1 ZINC000685736203 1187387195 /nfs/dbraw/zinc/38/71/95/1187387195.db2.gz SMURRSXLJGHMLO-OAHLLOKOSA-N 2 1 385.472 0.261 20 0 GCADMP CC1(C)C[NH2+]CC[C@@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892477465 1187428402 /nfs/dbraw/zinc/42/84/02/1187428402.db2.gz CGXJAZBZDXZOFK-MSOLQXFVSA-N 2 1 381.565 0.860 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000612481884 1187503089 /nfs/dbraw/zinc/50/30/89/1187503089.db2.gz GMUDIBNJYNOMMN-DLBZAZTESA-N 2 1 382.549 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000612481884 1187503091 /nfs/dbraw/zinc/50/30/91/1187503091.db2.gz GMUDIBNJYNOMMN-DLBZAZTESA-N 2 1 382.549 0.527 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612481196 1187503999 /nfs/dbraw/zinc/50/39/99/1187503999.db2.gz RUBRCSLKKJIVIN-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)CC2)CC1 ZINC000892499628 1187504640 /nfs/dbraw/zinc/50/46/40/1187504640.db2.gz ZOGPBHHYSIPCEO-QGZVFWFLSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612484280 1187505304 /nfs/dbraw/zinc/50/53/04/1187505304.db2.gz AGKDEBIIAJLAGH-MSOLQXFVSA-N 2 1 380.533 0.404 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548951 1187520124 /nfs/dbraw/zinc/52/01/24/1187520124.db2.gz UGKNCXROZNJRMB-XWTMOSNGSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548951 1187520127 /nfs/dbraw/zinc/52/01/27/1187520127.db2.gz UGKNCXROZNJRMB-XWTMOSNGSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548951 1187520129 /nfs/dbraw/zinc/52/01/29/1187520129.db2.gz UGKNCXROZNJRMB-XWTMOSNGSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548951 1187520131 /nfs/dbraw/zinc/52/01/31/1187520131.db2.gz UGKNCXROZNJRMB-XWTMOSNGSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548656 1187520957 /nfs/dbraw/zinc/52/09/57/1187520957.db2.gz PLBHYDAWUCYMMH-FHWLQOOXSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544538 1187521792 /nfs/dbraw/zinc/52/17/92/1187521792.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544538 1187521797 /nfs/dbraw/zinc/52/17/97/1187521797.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544538 1187521800 /nfs/dbraw/zinc/52/18/00/1187521800.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000612544538 1187521802 /nfs/dbraw/zinc/52/18/02/1187521802.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000612544538 1187521805 /nfs/dbraw/zinc/52/18/05/1187521805.db2.gz DSGIMACXZKABND-AEFFLSMTSA-N 2 1 379.549 0.214 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822563 1187529768 /nfs/dbraw/zinc/52/97/68/1187529768.db2.gz UHTFSQUDFQIMGL-RCCFBDPRSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000658820687 1187552428 /nfs/dbraw/zinc/55/24/28/1187552428.db2.gz ZONNFWDIESDPJR-WMZOPIPTSA-N 2 1 382.549 0.480 20 0 GCADMP C[C@@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000658820687 1187552433 /nfs/dbraw/zinc/55/24/33/1187552433.db2.gz ZONNFWDIESDPJR-WMZOPIPTSA-N 2 1 382.549 0.480 20 0 GCADMP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870429 1187608967 /nfs/dbraw/zinc/60/89/67/1187608967.db2.gz CVFRSHPEKGDKMN-CVEARBPZSA-N 2 1 375.521 0.803 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000892535130 1187710684 /nfs/dbraw/zinc/71/06/84/1187710684.db2.gz ATKWGRMVDXHUNR-MOPGFXCFSA-N 2 1 376.501 0.955 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000892535130 1187710688 /nfs/dbraw/zinc/71/06/88/1187710688.db2.gz ATKWGRMVDXHUNR-MOPGFXCFSA-N 2 1 376.501 0.955 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332812507 1187782273 /nfs/dbraw/zinc/78/22/73/1187782273.db2.gz VBVYNAYJAKQVFW-DQCOHUIHSA-N 2 1 392.544 0.614 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332812507 1187782275 /nfs/dbraw/zinc/78/22/75/1187782275.db2.gz VBVYNAYJAKQVFW-DQCOHUIHSA-N 2 1 392.544 0.614 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332812507 1187782281 /nfs/dbraw/zinc/78/22/81/1187782281.db2.gz VBVYNAYJAKQVFW-DQCOHUIHSA-N 2 1 392.544 0.614 20 0 GCADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000376362970 1187791979 /nfs/dbraw/zinc/79/19/79/1187791979.db2.gz FTAYOLXITRGMSF-CSNJMZFVSA-N 2 1 395.548 0.338 20 0 GCADMP C[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000376362970 1187791987 /nfs/dbraw/zinc/79/19/87/1187791987.db2.gz FTAYOLXITRGMSF-CSNJMZFVSA-N 2 1 395.548 0.338 20 0 GCADMP C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000376385914 1187804348 /nfs/dbraw/zinc/80/43/48/1187804348.db2.gz SYBZXUAPMYGMDV-BUICWCOVSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385914 1187804351 /nfs/dbraw/zinc/80/43/51/1187804351.db2.gz SYBZXUAPMYGMDV-BUICWCOVSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385914 1187804355 /nfs/dbraw/zinc/80/43/55/1187804355.db2.gz SYBZXUAPMYGMDV-BUICWCOVSA-N 2 1 377.533 0.994 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000658977812 1187828968 /nfs/dbraw/zinc/82/89/68/1187828968.db2.gz HNMNGWDWFUKKQU-SFHVURJKSA-N 2 1 378.517 0.396 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892651391 1187882131 /nfs/dbraw/zinc/88/21/31/1187882131.db2.gz YCHHLRCTUDKONL-KSZLIROESA-N 2 1 395.548 0.170 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](O)COC3CCOCC3)CC2)CC1 ZINC000376519809 1187907706 /nfs/dbraw/zinc/90/77/06/1187907706.db2.gz SQRXAJWORXMHLH-LJQANCHMSA-N 2 1 397.560 0.809 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344783 1187946365 /nfs/dbraw/zinc/94/63/65/1187946365.db2.gz KQXDZUBIZRMBLL-MOPGFXCFSA-N 2 1 391.560 0.310 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344783 1187946368 /nfs/dbraw/zinc/94/63/68/1187946368.db2.gz KQXDZUBIZRMBLL-MOPGFXCFSA-N 2 1 391.560 0.310 20 0 GCADMP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000659434016 1187957232 /nfs/dbraw/zinc/95/72/32/1187957232.db2.gz FCIBYINLISZUJU-OAHLLOKOSA-N 2 1 399.499 0.651 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659435336 1187958450 /nfs/dbraw/zinc/95/84/50/1187958450.db2.gz YBEMAUDBZNEYLT-QZTJIDSGSA-N 2 1 391.491 0.735 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659455812 1187961001 /nfs/dbraw/zinc/96/10/01/1187961001.db2.gz DOSKKIHKYNSGNT-UXHICEINSA-N 2 1 393.576 0.814 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551597 1187971285 /nfs/dbraw/zinc/97/12/85/1187971285.db2.gz WXQJLBNNXCYPCI-RBUKOAKNSA-N 2 1 375.517 0.480 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659551597 1187971286 /nfs/dbraw/zinc/97/12/86/1187971286.db2.gz WXQJLBNNXCYPCI-RBUKOAKNSA-N 2 1 375.517 0.480 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680440 1187993081 /nfs/dbraw/zinc/99/30/81/1187993081.db2.gz NGFUOKNMYWUNOA-OALUTQOASA-N 2 1 394.560 0.698 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C)C[NH2+]C)CC2)cs1 ZINC000659676065 1187994369 /nfs/dbraw/zinc/99/43/69/1187994369.db2.gz VQJXFCHQUBNAGA-CYBMUJFWSA-N 2 1 381.546 0.758 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659684483 1187995624 /nfs/dbraw/zinc/99/56/24/1187995624.db2.gz IGVZMPOGRVPCLP-OAHLLOKOSA-N 2 1 376.501 0.719 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659684483 1187995627 /nfs/dbraw/zinc/99/56/27/1187995627.db2.gz IGVZMPOGRVPCLP-OAHLLOKOSA-N 2 1 376.501 0.719 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)C[NH+]1CCOCC1 ZINC000659691563 1187999916 /nfs/dbraw/zinc/99/99/16/1187999916.db2.gz KEYYZNTZSYBRPP-AEFFLSMTSA-N 2 1 380.533 0.309 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699814 1188004985 /nfs/dbraw/zinc/00/49/85/1188004985.db2.gz WLDKYLFGEORUEP-SJLPKXTDSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699814 1188004989 /nfs/dbraw/zinc/00/49/89/1188004989.db2.gz WLDKYLFGEORUEP-SJLPKXTDSA-N 2 1 388.512 0.780 20 0 GCADMP COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000376695746 1188021516 /nfs/dbraw/zinc/02/15/16/1188021516.db2.gz UQCKXKPMYWMJLT-QGZVFWFLSA-N 2 1 381.521 0.045 20 0 GCADMP O=C(CNC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC000909322704 1188054514 /nfs/dbraw/zinc/05/45/14/1188054514.db2.gz JUEPYCUUBJLKDQ-NRFANRHFSA-N 2 1 388.512 0.342 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415414062 1188074458 /nfs/dbraw/zinc/07/44/58/1188074458.db2.gz FGAMFLVJJFFNOB-HNNXBMFYSA-N 2 1 387.484 0.718 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])cc2)CC1 ZINC000415413735 1188074643 /nfs/dbraw/zinc/07/46/43/1188074643.db2.gz DVFYYINCZQAWEZ-HNNXBMFYSA-N 2 1 389.500 0.137 20 0 GCADMP CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644551240 1188085829 /nfs/dbraw/zinc/08/58/29/1188085829.db2.gz GOIVACPZGCAMAH-LJQANCHMSA-N 2 1 376.501 0.150 20 0 GCADMP CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644551240 1188085835 /nfs/dbraw/zinc/08/58/35/1188085835.db2.gz GOIVACPZGCAMAH-LJQANCHMSA-N 2 1 376.501 0.150 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415483402 1188090408 /nfs/dbraw/zinc/09/04/08/1188090408.db2.gz GRBQCOFKPDNYGO-UHFFFAOYSA-N 2 1 376.501 0.943 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000415506904 1188093354 /nfs/dbraw/zinc/09/33/54/1188093354.db2.gz SIVAJBHOVLNVLM-MRXNPFEDSA-N 2 1 377.489 0.957 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415511508 1188095767 /nfs/dbraw/zinc/09/57/67/1188095767.db2.gz PHFPRKMQIYGWPK-HNNXBMFYSA-N 2 1 387.484 0.623 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415511509 1188095947 /nfs/dbraw/zinc/09/59/47/1188095947.db2.gz PHFPRKMQIYGWPK-OAHLLOKOSA-N 2 1 387.484 0.623 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CC1 ZINC000415535771 1188100636 /nfs/dbraw/zinc/10/06/36/1188100636.db2.gz DBBUNKOKUYCXIG-GOSISDBHSA-N 2 1 399.495 0.766 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000415583886 1188111651 /nfs/dbraw/zinc/11/16/51/1188111651.db2.gz RUXNUBGAJHUVAZ-RRQGHBQHSA-N 2 1 387.484 0.711 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000415602332 1188120824 /nfs/dbraw/zinc/12/08/24/1188120824.db2.gz RFTXRFGLEOLRIV-UXLLHSPISA-N 2 1 390.484 0.420 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000415602332 1188120829 /nfs/dbraw/zinc/12/08/29/1188120829.db2.gz RFTXRFGLEOLRIV-UXLLHSPISA-N 2 1 390.484 0.420 20 0 GCADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893052974 1188121737 /nfs/dbraw/zinc/12/17/37/1188121737.db2.gz IZQFVIRWOUCBBH-RBUKOAKNSA-N 2 1 381.565 0.766 20 0 GCADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000377735504 1188126302 /nfs/dbraw/zinc/12/63/02/1188126302.db2.gz ZTWAMRPXTWVACW-LJQANCHMSA-N 2 1 381.565 0.957 20 0 GCADMP CN(C(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000415743068 1188155635 /nfs/dbraw/zinc/15/56/35/1188155635.db2.gz MJXVCVKHUXPTHO-MRXNPFEDSA-N 2 1 382.468 0.699 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC000415827656 1189373526 /nfs/dbraw/zinc/37/35/26/1189373526.db2.gz GLLADWWLOLOIEU-CRAIPNDOSA-N 2 1 399.495 0.718 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000415903090 1189401578 /nfs/dbraw/zinc/40/15/78/1189401578.db2.gz YRGGCSVPMIKATP-ZWKOTPCHSA-N 2 1 386.496 0.568 20 0 GCADMP COCC[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000182899661 1189514763 /nfs/dbraw/zinc/51/47/63/1189514763.db2.gz SJAQTWVVAYRUHQ-LJQANCHMSA-N 2 1 376.501 0.727 20 0 GCADMP COCC[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000182899661 1189514764 /nfs/dbraw/zinc/51/47/64/1189514764.db2.gz SJAQTWVVAYRUHQ-LJQANCHMSA-N 2 1 376.501 0.727 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCOCC4)C3)n2)CC1 ZINC000330214669 1189550662 /nfs/dbraw/zinc/55/06/62/1189550662.db2.gz LVYGAWIUHDZLGT-INIZCTEOSA-N 2 1 376.505 1.336 20 0 GCADMP COC(=O)C1(CNC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCOCC1 ZINC000378614724 1189550704 /nfs/dbraw/zinc/55/07/04/1189550704.db2.gz DQLFHMISCAUHFP-HNNXBMFYSA-N 2 1 382.505 0.424 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577743 1189575453 /nfs/dbraw/zinc/57/54/53/1189575453.db2.gz SBTRNYDONYDNLX-SJLPKXTDSA-N 2 1 376.501 0.318 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000416828504 1189586920 /nfs/dbraw/zinc/58/69/20/1189586920.db2.gz DXAMRIFDQGUXNZ-SJLPKXTDSA-N 2 1 375.517 0.987 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000660113739 1189593214 /nfs/dbraw/zinc/59/32/14/1189593214.db2.gz FOVBORCLYCJPQP-QZTJIDSGSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000660113739 1189593219 /nfs/dbraw/zinc/59/32/19/1189593219.db2.gz FOVBORCLYCJPQP-QZTJIDSGSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660113739 1189593225 /nfs/dbraw/zinc/59/32/25/1189593225.db2.gz FOVBORCLYCJPQP-QZTJIDSGSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660113739 1189593226 /nfs/dbraw/zinc/59/32/26/1189593226.db2.gz FOVBORCLYCJPQP-QZTJIDSGSA-N 2 1 379.549 0.023 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@@H](C)O1 ZINC000416926307 1189594394 /nfs/dbraw/zinc/59/43/94/1189594394.db2.gz UKIJJMXISWFZPD-BRWVUGGUSA-N 2 1 397.564 0.903 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416937114 1189595219 /nfs/dbraw/zinc/59/52/19/1189595219.db2.gz IYLWDTZLZKNMLP-SJORKVTESA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416944999 1189599328 /nfs/dbraw/zinc/59/93/28/1189599328.db2.gz VTNXEYYKHDEFBZ-SJORKVTESA-N 2 1 383.537 0.230 20 0 GCADMP COC[C@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000416950380 1189599828 /nfs/dbraw/zinc/59/98/28/1189599828.db2.gz MGKYRDKVIULWHP-LJQANCHMSA-N 2 1 391.520 0.057 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000416947565 1189599862 /nfs/dbraw/zinc/59/98/62/1189599862.db2.gz GXPWOHTVJNRQGS-RBUKOAKNSA-N 2 1 381.565 0.813 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000416951051 1189600064 /nfs/dbraw/zinc/60/00/64/1189600064.db2.gz MWDWBPZEKZYUAQ-ZWKOTPCHSA-N 2 1 387.532 0.676 20 0 GCADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000416947564 1189600206 /nfs/dbraw/zinc/60/02/06/1189600206.db2.gz GXPWOHTVJNRQGS-OALUTQOASA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000416958659 1189601599 /nfs/dbraw/zinc/60/15/99/1189601599.db2.gz UGHFKIRRGKRPDY-IAGOWNOFSA-N 2 1 375.521 0.676 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000416988280 1189604548 /nfs/dbraw/zinc/60/45/48/1189604548.db2.gz LBURIFGTYBJQPJ-HXUWFJFHSA-N 2 1 388.560 0.527 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000417047146 1189612194 /nfs/dbraw/zinc/61/21/94/1189612194.db2.gz CKDNVVYMXHBOEB-UHFFFAOYSA-N 2 1 392.523 0.542 20 0 GCADMP C[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048362 1189612254 /nfs/dbraw/zinc/61/22/54/1189612254.db2.gz WSPHTVQLITWDCN-HKUYNNGSSA-N 2 1 375.517 0.956 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417158489 1189628055 /nfs/dbraw/zinc/62/80/55/1189628055.db2.gz FJHQJEGJRKMKNZ-HNNXBMFYSA-N 2 1 377.489 0.884 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736702 1189643847 /nfs/dbraw/zinc/64/38/47/1189643847.db2.gz CGWRKKAAUVTUHH-RTBURBONSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000584736702 1189643852 /nfs/dbraw/zinc/64/38/52/1189643852.db2.gz CGWRKKAAUVTUHH-RTBURBONSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000584736702 1189643857 /nfs/dbraw/zinc/64/38/57/1189643857.db2.gz CGWRKKAAUVTUHH-RTBURBONSA-N 2 1 388.512 0.462 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C4CCOCC4)CC3)CC[C@H]21 ZINC000660207987 1189659445 /nfs/dbraw/zinc/65/94/45/1189659445.db2.gz MZIGMVUIYDLCKR-SJLPKXTDSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@H]21 ZINC000660207987 1189659448 /nfs/dbraw/zinc/65/94/48/1189659448.db2.gz MZIGMVUIYDLCKR-SJLPKXTDSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@H]21 ZINC000660207987 1189659452 /nfs/dbraw/zinc/65/94/52/1189659452.db2.gz MZIGMVUIYDLCKR-SJLPKXTDSA-N 2 1 378.517 0.252 20 0 GCADMP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000660207920 1189659596 /nfs/dbraw/zinc/65/95/96/1189659596.db2.gz IAGJPNRMGKYQPR-GOSISDBHSA-N 2 1 392.544 0.500 20 0 GCADMP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000570954155 1189661229 /nfs/dbraw/zinc/66/12/29/1189661229.db2.gz MQNVBBMRDPYWBH-GBESFXJTSA-N 2 1 392.544 0.548 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000417459051 1189668343 /nfs/dbraw/zinc/66/83/43/1189668343.db2.gz LMZLQAKIQHWTIB-LJQANCHMSA-N 2 1 394.516 0.903 20 0 GCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417558429 1189682664 /nfs/dbraw/zinc/68/26/64/1189682664.db2.gz FMBYTEKFDGTQMF-GXTWGEPZSA-N 2 1 376.427 0.963 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000660260616 1189695494 /nfs/dbraw/zinc/69/54/94/1189695494.db2.gz AGTBDYHUYGCIDI-SQNIBIBYSA-N 2 1 380.533 0.641 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1cnc(C(N)=O)n1 ZINC000651459315 1189709733 /nfs/dbraw/zinc/70/97/33/1189709733.db2.gz HANMBLIIONPZMY-UHFFFAOYSA-N 2 1 391.520 0.032 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660334992 1189714639 /nfs/dbraw/zinc/71/46/39/1189714639.db2.gz ALDULUUKXKLDER-GOSISDBHSA-N 2 1 395.548 0.530 20 0 GCADMP CCN(CCNC(=O)N1CCC[C@@H](N2CCNCC2=O)C1)CCC(F)(F)F ZINC000418075489 1189718520 /nfs/dbraw/zinc/71/85/20/1189718520.db2.gz GYUFJMLSDMAYDS-CQSZACIVSA-N 2 1 393.454 0.867 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119216 1189725636 /nfs/dbraw/zinc/72/56/36/1189725636.db2.gz UOPDWRVDUAYLMC-ZWKOTPCHSA-N 2 1 395.548 0.341 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693623 1189775749 /nfs/dbraw/zinc/77/57/49/1189775749.db2.gz YTUWTNGVGCPFFP-MLHJIOFPSA-N 2 1 394.560 0.968 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000364389562 1189778454 /nfs/dbraw/zinc/77/84/54/1189778454.db2.gz ARZSKSYMNWOOEK-XMTFNYHQSA-N 2 1 380.533 0.233 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000364389562 1189778456 /nfs/dbraw/zinc/77/84/56/1189778456.db2.gz ARZSKSYMNWOOEK-XMTFNYHQSA-N 2 1 380.533 0.233 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1=O ZINC000364389562 1189778458 /nfs/dbraw/zinc/77/84/58/1189778458.db2.gz ARZSKSYMNWOOEK-XMTFNYHQSA-N 2 1 380.533 0.233 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1=O ZINC000364389562 1189778461 /nfs/dbraw/zinc/77/84/61/1189778461.db2.gz ARZSKSYMNWOOEK-XMTFNYHQSA-N 2 1 380.533 0.233 20 0 GCADMP CC1(C)CN(c2nccc(N3CC[N@@H+](CCO)C(C)(C)C3)n2)CC[NH+]1CCO ZINC000893368194 1189807689 /nfs/dbraw/zinc/80/76/89/1189807689.db2.gz IDNUMVRRXUCOLR-UHFFFAOYSA-N 2 1 392.548 0.262 20 0 GCADMP CC1(C)CN(c2ccnc(N3CC[N@H+](CCO)C(C)(C)C3)n2)CC[NH+]1CCO ZINC000893368194 1189807698 /nfs/dbraw/zinc/80/76/98/1189807698.db2.gz IDNUMVRRXUCOLR-UHFFFAOYSA-N 2 1 392.548 0.262 20 0 GCADMP CC1(C)CN(c2ccnc(N3CC[N@@H+](CCO)C(C)(C)C3)n2)CC[NH+]1CCO ZINC000893368194 1189807706 /nfs/dbraw/zinc/80/77/06/1189807706.db2.gz IDNUMVRRXUCOLR-UHFFFAOYSA-N 2 1 392.548 0.262 20 0 GCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000660535831 1189893987 /nfs/dbraw/zinc/89/39/87/1189893987.db2.gz LFGLFROGVHYQAG-GUDVDZBRSA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC2)C1 ZINC000660535831 1189893991 /nfs/dbraw/zinc/89/39/91/1189893991.db2.gz LFGLFROGVHYQAG-GUDVDZBRSA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC2)C1 ZINC000660535831 1189893996 /nfs/dbraw/zinc/89/39/96/1189893996.db2.gz LFGLFROGVHYQAG-GUDVDZBRSA-N 2 1 391.560 0.168 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652125544 1189902319 /nfs/dbraw/zinc/90/23/19/1189902319.db2.gz XUANIMWEWOGYKI-YQVWRLOYSA-N 2 1 381.565 0.940 20 0 GCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000432187195 1189912059 /nfs/dbraw/zinc/91/20/59/1189912059.db2.gz OQXVMZHDMSQZLO-GOSISDBHSA-N 2 1 380.533 0.546 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000660710494 1189938658 /nfs/dbraw/zinc/93/86/58/1189938658.db2.gz PAABUUPHBFDIMZ-UHFFFAOYSA-N 2 1 379.549 0.960 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660852697 1189957666 /nfs/dbraw/zinc/95/76/66/1189957666.db2.gz FVALSLIGIHJREH-ROUUACIJSA-N 2 1 395.548 0.482 20 0 GCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660861447 1189958167 /nfs/dbraw/zinc/95/81/67/1189958167.db2.gz DWMTWNHLYXWNMO-HXUWFJFHSA-N 2 1 393.576 0.814 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)O1 ZINC000975779857 1189975304 /nfs/dbraw/zinc/97/53/04/1189975304.db2.gz OJHAQHGVQCZGMS-VSZNYVQBSA-N 2 1 390.528 0.251 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)[C@H]3C2)O1 ZINC000975779857 1189975305 /nfs/dbraw/zinc/97/53/05/1189975305.db2.gz OJHAQHGVQCZGMS-VSZNYVQBSA-N 2 1 390.528 0.251 20 0 GCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000661237510 1190020283 /nfs/dbraw/zinc/02/02/83/1190020283.db2.gz NKMONKSVGVLIFG-ZACQAIPSSA-N 2 1 380.533 0.375 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000661237510 1190020291 /nfs/dbraw/zinc/02/02/91/1190020291.db2.gz NKMONKSVGVLIFG-ZACQAIPSSA-N 2 1 380.533 0.375 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000661237510 1190020298 /nfs/dbraw/zinc/02/02/98/1190020298.db2.gz NKMONKSVGVLIFG-ZACQAIPSSA-N 2 1 380.533 0.375 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000661237510 1190020304 /nfs/dbraw/zinc/02/03/04/1190020304.db2.gz NKMONKSVGVLIFG-ZACQAIPSSA-N 2 1 380.533 0.375 20 0 GCADMP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000661311496 1190028562 /nfs/dbraw/zinc/02/85/62/1190028562.db2.gz KMBADPWMPGUFLC-KRWDZBQOSA-N 2 1 381.565 0.955 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1CCO ZINC000661358472 1190035891 /nfs/dbraw/zinc/03/58/91/1190035891.db2.gz IRPZCJUSGCSKAD-FUHWJXTLSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1CCO ZINC000661358472 1190035897 /nfs/dbraw/zinc/03/58/97/1190035897.db2.gz IRPZCJUSGCSKAD-FUHWJXTLSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358472 1190035905 /nfs/dbraw/zinc/03/59/05/1190035905.db2.gz IRPZCJUSGCSKAD-FUHWJXTLSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358472 1190035910 /nfs/dbraw/zinc/03/59/10/1190035910.db2.gz IRPZCJUSGCSKAD-FUHWJXTLSA-N 2 1 392.544 0.377 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[C@H]2C1 ZINC000661403664 1190043117 /nfs/dbraw/zinc/04/31/17/1190043117.db2.gz YNPCGXPWVWUJHU-BZSNNMDCSA-N 2 1 378.517 0.110 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000419224623 1193721419 /nfs/dbraw/zinc/72/14/19/1193721419.db2.gz ZSZLWDCPSWCRNH-ZRGWGRIASA-N 2 1 388.512 0.766 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419224360 1193723750 /nfs/dbraw/zinc/72/37/50/1193723750.db2.gz ZHSQHAPSTBEFJV-SFHVURJKSA-N 2 1 376.501 0.638 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419228680 1193734720 /nfs/dbraw/zinc/73/47/20/1193734720.db2.gz MRMXPRGGLMUJEV-NEWSRXKRSA-N 2 1 388.512 0.589 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000549871265 1193738060 /nfs/dbraw/zinc/73/80/60/1193738060.db2.gz HIIQQNAJRFVWDC-UHFFFAOYSA-N 2 1 395.548 0.081 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433125962 1193761006 /nfs/dbraw/zinc/76/10/06/1193761006.db2.gz ASBGYMFOBFMLAU-SFHVURJKSA-N 3 1 388.560 0.912 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266842 1193776237 /nfs/dbraw/zinc/77/62/37/1193776237.db2.gz HZBFWPCXDHTWDT-VQIMIIECSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@@H]1C[NH3+] ZINC000419268295 1193776911 /nfs/dbraw/zinc/77/69/11/1193776911.db2.gz LXWWYVONOVDTKF-QFBILLFUSA-N 2 1 388.512 0.721 20 0 GCADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000419305094 1193799265 /nfs/dbraw/zinc/79/92/65/1193799265.db2.gz WESHIKMPVLKPBS-QZTJIDSGSA-N 2 1 385.468 0.578 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263233148 1193806809 /nfs/dbraw/zinc/80/68/09/1193806809.db2.gz ITUGIXCPADOJKJ-FCEWJHQRSA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000263236178 1193807745 /nfs/dbraw/zinc/80/77/45/1193807745.db2.gz JRMFXKNQKRJLEL-WBVHZDCISA-N 2 1 375.473 0.174 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000263236178 1193807753 /nfs/dbraw/zinc/80/77/53/1193807753.db2.gz JRMFXKNQKRJLEL-WBVHZDCISA-N 2 1 375.473 0.174 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000419332464 1193823573 /nfs/dbraw/zinc/82/35/73/1193823573.db2.gz HVNMMRBHJOQUSK-LJQANCHMSA-N 2 1 387.528 0.390 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419335757 1193828543 /nfs/dbraw/zinc/82/85/43/1193828543.db2.gz JYVXRQRHRREBOF-MRXNPFEDSA-N 2 1 375.517 0.151 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000419335110 1193830184 /nfs/dbraw/zinc/83/01/84/1193830184.db2.gz HOFWUCWACFEWMJ-IAGOWNOFSA-N 2 1 394.903 0.779 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000419341711 1193833816 /nfs/dbraw/zinc/83/38/16/1193833816.db2.gz OSKRFGGZJKSGDB-LJQANCHMSA-N 2 1 387.528 0.390 20 0 GCADMP Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129327 1193857655 /nfs/dbraw/zinc/85/76/55/1193857655.db2.gz FEOWXOOWELQFBC-NVXWUHKLSA-N 2 1 392.548 0.947 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399060 1193871864 /nfs/dbraw/zinc/87/18/64/1193871864.db2.gz FIKXOBLNGBAOJY-GOEBONIOSA-N 2 1 379.505 0.335 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399060 1193871869 /nfs/dbraw/zinc/87/18/69/1193871869.db2.gz FIKXOBLNGBAOJY-GOEBONIOSA-N 2 1 379.505 0.335 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388444 1193897880 /nfs/dbraw/zinc/89/78/80/1193897880.db2.gz DRFAOJFXXFUOHP-DLBZAZTESA-N 2 1 376.526 0.541 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388444 1193897885 /nfs/dbraw/zinc/89/78/85/1193897885.db2.gz DRFAOJFXXFUOHP-DLBZAZTESA-N 2 1 376.526 0.541 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387053 1193897961 /nfs/dbraw/zinc/89/79/61/1193897961.db2.gz BXCZMOJEUAEWBZ-IRXDYDNUSA-N 2 1 378.542 0.820 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387053 1193897962 /nfs/dbraw/zinc/89/79/62/1193897962.db2.gz BXCZMOJEUAEWBZ-IRXDYDNUSA-N 2 1 378.542 0.820 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388317 1193898227 /nfs/dbraw/zinc/89/82/27/1193898227.db2.gz DJRBOPGXLPNSOX-ROUUACIJSA-N 2 1 390.553 0.788 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388317 1193898229 /nfs/dbraw/zinc/89/82/29/1193898229.db2.gz DJRBOPGXLPNSOX-ROUUACIJSA-N 2 1 390.553 0.788 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCN1 ZINC000419388977 1193900241 /nfs/dbraw/zinc/90/02/41/1193900241.db2.gz KUYIPRSWESLTEI-XYPHTWIQSA-N 2 1 394.903 0.648 20 0 GCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389458 1193900359 /nfs/dbraw/zinc/90/03/59/1193900359.db2.gz FIJUUWUUHINTCV-PXNSSMCTSA-N 2 1 390.553 0.918 20 0 GCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389458 1193900362 /nfs/dbraw/zinc/90/03/62/1193900362.db2.gz FIJUUWUUHINTCV-PXNSSMCTSA-N 2 1 390.553 0.918 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549926671 1193902092 /nfs/dbraw/zinc/90/20/92/1193902092.db2.gz DQVYGNTVSNYFAM-HKUYNNGSSA-N 2 1 390.528 0.850 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549926671 1193902096 /nfs/dbraw/zinc/90/20/96/1193902096.db2.gz DQVYGNTVSNYFAM-HKUYNNGSSA-N 2 1 390.528 0.850 20 0 GCADMP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(F)c(NC(=O)CC[NH+]3CCOCC3)c2)O1 ZINC000261621663 1193921738 /nfs/dbraw/zinc/92/17/38/1193921738.db2.gz CHQPTJKMFCEGQH-PBHICJAKSA-N 2 1 394.447 0.931 20 0 GCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000513219079 1193923243 /nfs/dbraw/zinc/92/32/43/1193923243.db2.gz NONGGUNBSFCLKC-CABCVRRESA-N 2 1 379.505 0.287 20 0 GCADMP CCc1ccccc1NC(=O)CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262008142 1193935615 /nfs/dbraw/zinc/93/56/15/1193935615.db2.gz FFPXDOYCRCMGST-UHFFFAOYSA-N 2 1 387.528 0.627 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175865 1193948212 /nfs/dbraw/zinc/94/82/12/1193948212.db2.gz ROGWFODOZNOMGD-ZWKOTPCHSA-N 2 1 395.548 0.470 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000549936397 1193948985 /nfs/dbraw/zinc/94/89/85/1193948985.db2.gz BLLKMEZCVBDGBF-GOSISDBHSA-N 2 1 393.576 0.653 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513464453 1193953710 /nfs/dbraw/zinc/95/37/10/1193953710.db2.gz YJZLUIYSTCTSFE-MRXNPFEDSA-N 2 1 383.581 0.563 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513464453 1193953714 /nfs/dbraw/zinc/95/37/14/1193953714.db2.gz YJZLUIYSTCTSFE-MRXNPFEDSA-N 2 1 383.581 0.563 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)oc1C ZINC000262950587 1193958954 /nfs/dbraw/zinc/95/89/54/1193958954.db2.gz BUJCASRGULUGSY-SFHVURJKSA-N 2 1 379.505 0.719 20 0 GCADMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000433997386 1193965799 /nfs/dbraw/zinc/96/57/99/1193965799.db2.gz PPRXPUCQUMUUKD-MJGOQNOKSA-N 2 1 398.515 0.554 20 0 GCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000333524222 1193965846 /nfs/dbraw/zinc/96/58/46/1193965846.db2.gz ZZYCJEGPCLDMDN-LJQANCHMSA-N 2 1 394.560 0.792 20 0 GCADMP CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466943543 1194012144 /nfs/dbraw/zinc/01/21/44/1194012144.db2.gz PQMKBCQZHQRHEO-HDICACEKSA-N 2 1 388.516 0.693 20 0 GCADMP CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466943543 1194012149 /nfs/dbraw/zinc/01/21/49/1194012149.db2.gz PQMKBCQZHQRHEO-HDICACEKSA-N 2 1 388.516 0.693 20 0 GCADMP CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000466943543 1194012152 /nfs/dbraw/zinc/01/21/52/1194012152.db2.gz PQMKBCQZHQRHEO-HDICACEKSA-N 2 1 388.516 0.693 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419398932 1194018971 /nfs/dbraw/zinc/01/89/71/1194018971.db2.gz IRXFCNHSCOAUQF-QGZVFWFLSA-N 2 1 376.526 0.542 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419398932 1194018976 /nfs/dbraw/zinc/01/89/76/1194018976.db2.gz IRXFCNHSCOAUQF-QGZVFWFLSA-N 2 1 376.526 0.542 20 0 GCADMP [NH3+]C1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000419400783 1194019549 /nfs/dbraw/zinc/01/95/49/1194019549.db2.gz NHONLQRNSSKURG-QGZVFWFLSA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+]C1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000419400783 1194019552 /nfs/dbraw/zinc/01/95/52/1194019552.db2.gz NHONLQRNSSKURG-QGZVFWFLSA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419402016 1194020696 /nfs/dbraw/zinc/02/06/96/1194020696.db2.gz PTDYVBZPXZGYEL-IRXDYDNUSA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419402016 1194020701 /nfs/dbraw/zinc/02/07/01/1194020701.db2.gz PTDYVBZPXZGYEL-IRXDYDNUSA-N 2 1 376.526 0.670 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419405512 1194021258 /nfs/dbraw/zinc/02/12/58/1194021258.db2.gz HRFUEWMWUKYQDB-JCGIZDLHSA-N 2 1 376.476 0.927 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421325 1194023367 /nfs/dbraw/zinc/02/33/67/1194023367.db2.gz VJWRNKAWMSZARR-NJAFHUGGSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421325 1194023371 /nfs/dbraw/zinc/02/33/71/1194023371.db2.gz VJWRNKAWMSZARR-NJAFHUGGSA-N 2 1 376.501 0.636 20 0 GCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419420252 1194023407 /nfs/dbraw/zinc/02/34/07/1194023407.db2.gz MTHUYODWNYRDFJ-LJQANCHMSA-N 2 1 387.528 0.118 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423772 1194024008 /nfs/dbraw/zinc/02/40/08/1194024008.db2.gz YZZLDLHJBIVNSW-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423772 1194024013 /nfs/dbraw/zinc/02/40/13/1194024013.db2.gz YZZLDLHJBIVNSW-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000419425500 1194026470 /nfs/dbraw/zinc/02/64/70/1194026470.db2.gz VVIASYMBQSWXCL-KRWDZBQOSA-N 2 1 375.517 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000419425500 1194026471 /nfs/dbraw/zinc/02/64/71/1194026471.db2.gz VVIASYMBQSWXCL-KRWDZBQOSA-N 2 1 375.517 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000419425500 1194026476 /nfs/dbraw/zinc/02/64/76/1194026476.db2.gz VVIASYMBQSWXCL-KRWDZBQOSA-N 2 1 375.517 0.335 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427550 1194026719 /nfs/dbraw/zinc/02/67/19/1194026719.db2.gz ZFDBBASXXXRLMP-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427550 1194026724 /nfs/dbraw/zinc/02/67/24/1194026724.db2.gz ZFDBBASXXXRLMP-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427550 1194026727 /nfs/dbraw/zinc/02/67/27/1194026727.db2.gz ZFDBBASXXXRLMP-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000419425501 1194026814 /nfs/dbraw/zinc/02/68/14/1194026814.db2.gz VVIASYMBQSWXCL-QGZVFWFLSA-N 2 1 375.517 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000419425501 1194026817 /nfs/dbraw/zinc/02/68/17/1194026817.db2.gz VVIASYMBQSWXCL-QGZVFWFLSA-N 2 1 375.517 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000419425501 1194026822 /nfs/dbraw/zinc/02/68/22/1194026822.db2.gz VVIASYMBQSWXCL-QGZVFWFLSA-N 2 1 375.517 0.335 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419425549 1194026867 /nfs/dbraw/zinc/02/68/67/1194026867.db2.gz VZEPGKJABWPLMG-OALUTQOASA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419425549 1194026872 /nfs/dbraw/zinc/02/68/72/1194026872.db2.gz VZEPGKJABWPLMG-OALUTQOASA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419425549 1194026875 /nfs/dbraw/zinc/02/68/75/1194026875.db2.gz VZEPGKJABWPLMG-OALUTQOASA-N 2 1 389.544 0.581 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427879 1194027279 /nfs/dbraw/zinc/02/72/79/1194027279.db2.gz ZZGRZWMJABYYMU-SFHVURJKSA-N 2 1 375.517 0.207 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419427879 1194027285 /nfs/dbraw/zinc/02/72/85/1194027285.db2.gz ZZGRZWMJABYYMU-SFHVURJKSA-N 2 1 375.517 0.207 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419427879 1194027288 /nfs/dbraw/zinc/02/72/88/1194027288.db2.gz ZZGRZWMJABYYMU-SFHVURJKSA-N 2 1 375.517 0.207 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410909 1194029227 /nfs/dbraw/zinc/02/92/27/1194029227.db2.gz AVOGBQYZECEJAG-HKUYNNGSSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410909 1194029233 /nfs/dbraw/zinc/02/92/33/1194029233.db2.gz AVOGBQYZECEJAG-HKUYNNGSSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410909 1194029237 /nfs/dbraw/zinc/02/92/37/1194029237.db2.gz AVOGBQYZECEJAG-HKUYNNGSSA-N 2 1 387.528 0.289 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411341 1194029341 /nfs/dbraw/zinc/02/93/41/1194029341.db2.gz HORVYGVZDPXSID-OALUTQOASA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411341 1194029346 /nfs/dbraw/zinc/02/93/46/1194029346.db2.gz HORVYGVZDPXSID-OALUTQOASA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411340 1194029701 /nfs/dbraw/zinc/02/97/01/1194029701.db2.gz HORVYGVZDPXSID-MOPGFXCFSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411340 1194029705 /nfs/dbraw/zinc/02/97/05/1194029705.db2.gz HORVYGVZDPXSID-MOPGFXCFSA-N 2 1 388.512 0.650 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000419413365 1194030624 /nfs/dbraw/zinc/03/06/24/1194030624.db2.gz FIPMRUPULATVGN-GOSISDBHSA-N 2 1 387.528 0.479 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000419413365 1194030627 /nfs/dbraw/zinc/03/06/27/1194030627.db2.gz FIPMRUPULATVGN-GOSISDBHSA-N 2 1 387.528 0.479 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000419413365 1194030631 /nfs/dbraw/zinc/03/06/31/1194030631.db2.gz FIPMRUPULATVGN-GOSISDBHSA-N 2 1 387.528 0.479 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419414268 1194031096 /nfs/dbraw/zinc/03/10/96/1194031096.db2.gz GMSREXZLDYLZNU-IBGZPJMESA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419414268 1194031103 /nfs/dbraw/zinc/03/11/03/1194031103.db2.gz GMSREXZLDYLZNU-IBGZPJMESA-N 2 1 387.528 0.350 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415876 1194031181 /nfs/dbraw/zinc/03/11/81/1194031181.db2.gz NZOSDEIUDNQLMS-GBESFXJTSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415876 1194031185 /nfs/dbraw/zinc/03/11/85/1194031185.db2.gz NZOSDEIUDNQLMS-GBESFXJTSA-N 2 1 388.512 0.636 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000419414264 1194031502 /nfs/dbraw/zinc/03/15/02/1194031502.db2.gz GMFLLWFSOBUVGT-ZCNNSNEGSA-N 2 1 399.539 0.159 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000419414264 1194031512 /nfs/dbraw/zinc/03/15/12/1194031512.db2.gz GMFLLWFSOBUVGT-ZCNNSNEGSA-N 2 1 399.539 0.159 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419416723 1194031538 /nfs/dbraw/zinc/03/15/38/1194031538.db2.gz JFLMDWGABCKQBQ-IBGZPJMESA-N 2 1 387.528 0.303 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419416723 1194031543 /nfs/dbraw/zinc/03/15/43/1194031543.db2.gz JFLMDWGABCKQBQ-IBGZPJMESA-N 2 1 387.528 0.303 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419416723 1194031547 /nfs/dbraw/zinc/03/15/47/1194031547.db2.gz JFLMDWGABCKQBQ-IBGZPJMESA-N 2 1 387.528 0.303 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415401 1194031653 /nfs/dbraw/zinc/03/16/53/1194031653.db2.gz NAKKRPACRQFCIP-ROUUACIJSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415401 1194031658 /nfs/dbraw/zinc/03/16/58/1194031658.db2.gz NAKKRPACRQFCIP-ROUUACIJSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416249 1194032259 /nfs/dbraw/zinc/03/22/59/1194032259.db2.gz OMIRGMJWLCGNCJ-CEXWTWQISA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416249 1194032263 /nfs/dbraw/zinc/03/22/63/1194032263.db2.gz OMIRGMJWLCGNCJ-CEXWTWQISA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419417755 1194032295 /nfs/dbraw/zinc/03/22/95/1194032295.db2.gz QCQSHVYKUXNVRE-QYZOEREBSA-N 2 1 388.512 0.589 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419417755 1194032299 /nfs/dbraw/zinc/03/22/99/1194032299.db2.gz QCQSHVYKUXNVRE-QYZOEREBSA-N 2 1 388.512 0.589 20 0 GCADMP CC[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419416486 1194032576 /nfs/dbraw/zinc/03/25/76/1194032576.db2.gz WHXYENXPKAVCAA-OALUTQOASA-N 2 1 388.512 0.516 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000419417326 1194032595 /nfs/dbraw/zinc/03/25/95/1194032595.db2.gz JTTHRQMWOWRUMX-UHFFFAOYSA-N 2 1 387.528 0.308 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419455815 1194032980 /nfs/dbraw/zinc/03/29/80/1194032980.db2.gz YFFDEAKXDNLNEB-LMMKCTJWSA-N 2 1 385.512 0.134 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419456172 1194033075 /nfs/dbraw/zinc/03/30/75/1194033075.db2.gz YZIWFAVYSXJIGE-QZTJIDSGSA-N 2 1 387.528 0.572 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455967 1194033966 /nfs/dbraw/zinc/03/39/66/1194033966.db2.gz YMCIHCWLRGQMND-DLBZAZTESA-N 2 1 375.517 0.285 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419448411 1194036383 /nfs/dbraw/zinc/03/63/83/1194036383.db2.gz IMBHAZMWDFKECH-MJGOQNOKSA-N 2 1 387.528 0.524 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419450737 1194037152 /nfs/dbraw/zinc/03/71/52/1194037152.db2.gz MBKAQXULDUELJV-ROUUACIJSA-N 2 1 389.544 0.803 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419451946 1194037423 /nfs/dbraw/zinc/03/74/23/1194037423.db2.gz OKIZGDGJMDIDAL-KZNAEPCWSA-N 2 1 387.528 0.570 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419453174 1194037664 /nfs/dbraw/zinc/03/76/64/1194037664.db2.gz QZALKEAWURIDJT-QGZVFWFLSA-N 2 1 387.528 0.511 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419478453 1194039764 /nfs/dbraw/zinc/03/97/64/1194039764.db2.gz JRPGYQNMEQDMPE-SFHVURJKSA-N 2 1 381.565 0.544 20 0 GCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@H+]1Cc1ccccc1 ZINC000419481288 1194041288 /nfs/dbraw/zinc/04/12/88/1194041288.db2.gz WQLXWJHMIACIQG-AEFFLSMTSA-N 2 1 376.501 0.183 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419484674 1194042077 /nfs/dbraw/zinc/04/20/77/1194042077.db2.gz UDBWGSNNLRJFBL-QGZVFWFLSA-N 2 1 381.565 0.415 20 0 GCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419468074 1194042930 /nfs/dbraw/zinc/04/29/30/1194042930.db2.gz AQFYSPXTAKRAER-NZSAHSFTSA-N 2 1 388.512 0.508 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501867 1194046399 /nfs/dbraw/zinc/04/63/99/1194046399.db2.gz FFZLFXOLDBGXPO-SJORKVTESA-N 2 1 375.517 0.428 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000501064264 1194046646 /nfs/dbraw/zinc/04/66/46/1194046646.db2.gz PLZBACTYJAPIJC-GOSISDBHSA-N 2 1 375.517 0.623 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506431 1194047903 /nfs/dbraw/zinc/04/79/03/1194047903.db2.gz NLMCRIFJZWWDBB-QGZVFWFLSA-N 2 1 375.517 0.429 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419510919 1194048050 /nfs/dbraw/zinc/04/80/50/1194048050.db2.gz UQZATDBOWJWIKV-HKUYNNGSSA-N 2 1 387.528 0.653 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510079 1194050518 /nfs/dbraw/zinc/05/05/18/1194050518.db2.gz SWLRJJDSHBVQKX-ZWKOTPCHSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512934 1194050723 /nfs/dbraw/zinc/05/07/23/1194050723.db2.gz YHBDAUKJVXIUPX-LMMKCTJWSA-N 2 1 385.512 0.134 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511590 1194051001 /nfs/dbraw/zinc/05/10/01/1194051001.db2.gz VXGRLAADZFVWSI-QGZVFWFLSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513308 1194051033 /nfs/dbraw/zinc/05/10/33/1194051033.db2.gz ZDDGJRDADJIPAO-QYZOEREBSA-N 2 1 399.539 0.381 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511341 1194051173 /nfs/dbraw/zinc/05/11/73/1194051173.db2.gz VKGVOGHHGOVZJO-QGZVFWFLSA-N 2 1 387.528 0.572 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1CCOC ZINC000501079369 1194053068 /nfs/dbraw/zinc/05/30/68/1194053068.db2.gz ZSEXQUBWBRKVTG-ZWKOTPCHSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079369 1194053073 /nfs/dbraw/zinc/05/30/73/1194053073.db2.gz ZSEXQUBWBRKVTG-ZWKOTPCHSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079369 1194053077 /nfs/dbraw/zinc/05/30/77/1194053077.db2.gz ZSEXQUBWBRKVTG-ZWKOTPCHSA-N 2 1 397.564 0.716 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000419535962 1194054773 /nfs/dbraw/zinc/05/47/73/1194054773.db2.gz LQEHFIGKSZRNMU-AEFFLSMTSA-N 2 1 376.501 0.619 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000419536446 1194055019 /nfs/dbraw/zinc/05/50/19/1194055019.db2.gz MLYLYOZQYHEHTA-MSOLQXFVSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419536402 1194055174 /nfs/dbraw/zinc/05/51/74/1194055174.db2.gz MFCZXYKGWWDNPB-MSOLQXFVSA-N 2 1 376.501 0.762 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419706340 1194082910 /nfs/dbraw/zinc/08/29/10/1194082910.db2.gz KDIRLFHNRMPUOR-CWLKWCNXSA-N 2 1 388.512 0.995 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419706343 1194083043 /nfs/dbraw/zinc/08/30/43/1194083043.db2.gz KDIRLFHNRMPUOR-UOVPBQLFSA-N 2 1 388.512 0.995 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCC1 ZINC000419697676 1194087310 /nfs/dbraw/zinc/08/73/10/1194087310.db2.gz QXHIDQGQHMUXBF-ZWKOTPCHSA-N 2 1 380.533 0.722 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419699270 1194087712 /nfs/dbraw/zinc/08/77/12/1194087712.db2.gz VZZKVGGHJDXEEX-BHIYHBOVSA-N 2 1 392.544 0.864 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731803 1194089353 /nfs/dbraw/zinc/08/93/53/1194089353.db2.gz RMJZLHXZOYICKV-OALUTQOASA-N 2 1 384.480 0.793 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419719533 1194092002 /nfs/dbraw/zinc/09/20/02/1194092002.db2.gz GQGUUXPTGXLFNI-HNNXBMFYSA-N 2 1 380.439 0.914 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccc(F)cc1 ZINC000419754690 1194098108 /nfs/dbraw/zinc/09/81/08/1194098108.db2.gz BQQDPEZMUBWCTE-SZMVWBNQSA-N 2 1 376.476 0.960 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419758242 1194098538 /nfs/dbraw/zinc/09/85/38/1194098538.db2.gz JRDKZIMUUNYDJR-JFIYKMOQSA-N 2 1 376.476 0.878 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccc(F)cc1 ZINC000419759006 1194098988 /nfs/dbraw/zinc/09/89/88/1194098988.db2.gz LOQPMYUPCCGSDL-UHFFFAOYSA-N 2 1 394.491 0.730 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419769213 1194102263 /nfs/dbraw/zinc/10/22/63/1194102263.db2.gz DKRUXIHZMBPPGG-HOTGVXAUSA-N 2 1 395.548 0.069 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769821 1194102273 /nfs/dbraw/zinc/10/22/73/1194102273.db2.gz WDQJGFFFPCSUJQ-RBUKOAKNSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000419804968 1194106990 /nfs/dbraw/zinc/10/69/90/1194106990.db2.gz DNLXCEFCBQLIMN-IYBDPMFKSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000419804968 1194106995 /nfs/dbraw/zinc/10/69/95/1194106995.db2.gz DNLXCEFCBQLIMN-IYBDPMFKSA-N 2 1 388.512 0.910 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419824203 1194110222 /nfs/dbraw/zinc/11/02/22/1194110222.db2.gz MMAXPRCTAADPCP-IAGOWNOFSA-N 2 1 381.565 0.271 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000419806909 1194111488 /nfs/dbraw/zinc/11/14/88/1194111488.db2.gz SJEHOKCODIGCBT-UHFFFAOYSA-N 2 1 393.576 0.781 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCCO1 ZINC000419815126 1194113048 /nfs/dbraw/zinc/11/30/48/1194113048.db2.gz KTUOJGHMCBDICW-HZPDHXFCSA-N 2 1 378.473 0.499 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419851301 1194115297 /nfs/dbraw/zinc/11/52/97/1194115297.db2.gz ATMIGWWEEVAQML-SFHVURJKSA-N 2 1 387.528 0.383 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419829210 1194115337 /nfs/dbraw/zinc/11/53/37/1194115337.db2.gz SMVOLNHYLNSVAS-HZPDHXFCSA-N 2 1 376.501 0.638 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000419835436 1194117006 /nfs/dbraw/zinc/11/70/06/1194117006.db2.gz VCJBTEMKYIJCHG-QGZVFWFLSA-N 2 1 381.565 0.415 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419852720 1194120825 /nfs/dbraw/zinc/12/08/25/1194120825.db2.gz LXDWOOGTLHPUKA-LJQANCHMSA-N 2 1 387.528 0.179 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000419862038 1194124478 /nfs/dbraw/zinc/12/44/78/1194124478.db2.gz GDKCTTGIIULJKG-UHFFFAOYSA-N 2 1 375.517 0.166 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863715 1194125769 /nfs/dbraw/zinc/12/57/69/1194125769.db2.gz IBGFZKPUSUGMKU-MJGOQNOKSA-N 2 1 387.528 0.035 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000419864437 1194126293 /nfs/dbraw/zinc/12/62/93/1194126293.db2.gz IWHUYHRFRFFJPM-KRWDZBQOSA-N 2 1 375.517 0.035 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419870512 1194127952 /nfs/dbraw/zinc/12/79/52/1194127952.db2.gz OMWNZBKOFDASIW-IBGZPJMESA-N 2 1 387.528 0.179 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877060 1194130331 /nfs/dbraw/zinc/13/03/31/1194130331.db2.gz WLWLYOPRHJWJEO-RTBURBONSA-N 2 1 393.576 0.511 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1 ZINC000419882821 1194132495 /nfs/dbraw/zinc/13/24/95/1194132495.db2.gz VMTSFARZKYAZLI-AYOQOUSVSA-N 2 1 388.512 0.810 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000419930660 1194140430 /nfs/dbraw/zinc/14/04/30/1194140430.db2.gz OKSGXJHUXHXEGL-MSOLQXFVSA-N 2 1 376.501 0.762 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000419930660 1194140435 /nfs/dbraw/zinc/14/04/35/1194140435.db2.gz OKSGXJHUXHXEGL-MSOLQXFVSA-N 2 1 376.501 0.762 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000419930436 1194140495 /nfs/dbraw/zinc/14/04/95/1194140495.db2.gz AWGSHZCBRUWMQE-CQSZACIVSA-N 2 1 394.438 0.358 20 0 GCADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000419908128 1194140998 /nfs/dbraw/zinc/14/09/98/1194140998.db2.gz YFESZVYUAHEDPP-RTBURBONSA-N 2 1 388.512 0.810 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419912390 1194142280 /nfs/dbraw/zinc/14/22/80/1194142280.db2.gz LFQYTKSWVYNXEU-SFHVURJKSA-N 2 1 387.528 0.383 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](CC)[C@H]1c1cnn(C)c1 ZINC000419911984 1194142892 /nfs/dbraw/zinc/14/28/92/1194142892.db2.gz VFIGZLAYKQFHJY-FUHWJXTLSA-N 2 1 392.548 0.767 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419969378 1194149647 /nfs/dbraw/zinc/14/96/47/1194149647.db2.gz SBLVJEPKKWVOOL-GOSISDBHSA-N 2 1 381.565 0.495 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419969378 1194149650 /nfs/dbraw/zinc/14/96/50/1194149650.db2.gz SBLVJEPKKWVOOL-GOSISDBHSA-N 2 1 381.565 0.495 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419973239 1194150301 /nfs/dbraw/zinc/15/03/01/1194150301.db2.gz HKFCZDHZCGBDHC-QXAKKESOSA-N 3 1 395.592 0.754 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000419973134 1194150351 /nfs/dbraw/zinc/15/03/51/1194150351.db2.gz IWGZIOJOYIPNLB-SFHVURJKSA-N 2 1 376.501 0.829 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000419973134 1194150353 /nfs/dbraw/zinc/15/03/53/1194150353.db2.gz IWGZIOJOYIPNLB-SFHVURJKSA-N 2 1 376.501 0.829 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419980585 1194151858 /nfs/dbraw/zinc/15/18/58/1194151858.db2.gz RAARNEXFXJOKRX-SOLBZPMBSA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419981259 1194152026 /nfs/dbraw/zinc/15/20/26/1194152026.db2.gz TWTFHOTZLGDALU-WIYYLYMNSA-N 2 1 390.528 0.571 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419988235 1194153069 /nfs/dbraw/zinc/15/30/69/1194153069.db2.gz ZJBURFGSCODKDM-YESZJQIVSA-N 2 1 398.548 0.075 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419988235 1194153070 /nfs/dbraw/zinc/15/30/70/1194153070.db2.gz ZJBURFGSCODKDM-YESZJQIVSA-N 2 1 398.548 0.075 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)c1nc(C(N)=O)cc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000894246960 1194156431 /nfs/dbraw/zinc/15/64/31/1194156431.db2.gz BAWORIQHFRNXER-LSDHHAIUSA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@H]1CCC[N@@H+]1C)c1nc(C(N)=O)cc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894246960 1194156439 /nfs/dbraw/zinc/15/64/39/1194156439.db2.gz BAWORIQHFRNXER-LSDHHAIUSA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)c1nc(C(N)=O)cc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894246960 1194156445 /nfs/dbraw/zinc/15/64/45/1194156445.db2.gz BAWORIQHFRNXER-LSDHHAIUSA-N 2 1 375.521 0.636 20 0 GCADMP C[NH+]1CCC(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)(N2CCCCC2)CC1 ZINC000420005566 1194156803 /nfs/dbraw/zinc/15/68/03/1194156803.db2.gz WUVVUYKBKHBGDV-GOSISDBHSA-N 2 1 393.576 0.559 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420031044 1194160409 /nfs/dbraw/zinc/16/04/09/1194160409.db2.gz GXCVUFUXTUWITI-HUUCEWRRSA-N 2 1 384.521 0.032 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000420044799 1194168351 /nfs/dbraw/zinc/16/83/51/1194168351.db2.gz UEUKTPDXDQTJIC-UKRRQHHQSA-N 2 1 377.489 0.430 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420084507 1194174465 /nfs/dbraw/zinc/17/44/65/1194174465.db2.gz ABKOXTUYQZTDHU-MSOLQXFVSA-N 2 1 393.576 0.780 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420097411 1194176903 /nfs/dbraw/zinc/17/69/03/1194176903.db2.gz CDSZJYAPVDUGTG-IXDOHACOSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420097411 1194176905 /nfs/dbraw/zinc/17/69/05/1194176905.db2.gz CDSZJYAPVDUGTG-IXDOHACOSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420100185 1194178111 /nfs/dbraw/zinc/17/81/11/1194178111.db2.gz KHWGULATZYFOPT-PDOICOKGSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000420090676 1194183094 /nfs/dbraw/zinc/18/30/94/1194183094.db2.gz DXVZNXQJSIVOKX-UEXGIBASSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000420138237 1194185233 /nfs/dbraw/zinc/18/52/33/1194185233.db2.gz XJKAJMOEXAANPT-KBPBESRZSA-N 2 1 394.438 0.356 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420157220 1194190824 /nfs/dbraw/zinc/19/08/24/1194190824.db2.gz GEGOGPGCHNPGIX-SJORKVTESA-N 2 1 382.549 0.840 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420157220 1194190826 /nfs/dbraw/zinc/19/08/26/1194190826.db2.gz GEGOGPGCHNPGIX-SJORKVTESA-N 2 1 382.549 0.840 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000420161201 1194191247 /nfs/dbraw/zinc/19/12/47/1194191247.db2.gz JKBDWPKOXGXPNZ-IRXDYDNUSA-N 2 1 382.549 0.840 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000420161201 1194191250 /nfs/dbraw/zinc/19/12/50/1194191250.db2.gz JKBDWPKOXGXPNZ-IRXDYDNUSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420143957 1194192836 /nfs/dbraw/zinc/19/28/36/1194192836.db2.gz ZRMHWXUFHWNDNW-CALCHBBNSA-N 2 1 377.533 0.039 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501586929 1194196569 /nfs/dbraw/zinc/19/65/69/1194196569.db2.gz VHWLEKWCUWVZER-IAGOWNOFSA-N 2 1 380.533 0.452 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501586930 1194196593 /nfs/dbraw/zinc/19/65/93/1194196593.db2.gz VHWLEKWCUWVZER-IRXDYDNUSA-N 2 1 380.533 0.452 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501586931 1194196748 /nfs/dbraw/zinc/19/67/48/1194196748.db2.gz VHWLEKWCUWVZER-SJORKVTESA-N 2 1 380.533 0.452 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420166636 1194198909 /nfs/dbraw/zinc/19/89/09/1194198909.db2.gz IYTDQPAICBXGKA-HNNXBMFYSA-N 2 1 383.443 0.605 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420166636 1194198911 /nfs/dbraw/zinc/19/89/11/1194198911.db2.gz IYTDQPAICBXGKA-HNNXBMFYSA-N 2 1 383.443 0.605 20 0 GCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814879 1194198944 /nfs/dbraw/zinc/19/89/44/1194198944.db2.gz JVONRHFWXKRKAD-NJAFHUGGSA-N 2 1 388.516 0.496 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000420169555 1194200298 /nfs/dbraw/zinc/20/02/98/1194200298.db2.gz QNLALABTEUHKKH-QGZVFWFLSA-N 2 1 376.501 0.462 20 0 GCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420172109 1194200693 /nfs/dbraw/zinc/20/06/93/1194200693.db2.gz SYBAQWYLXPPYRY-MDKPJZGXSA-N 2 1 388.512 0.339 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000420173356 1194201176 /nfs/dbraw/zinc/20/11/76/1194201176.db2.gz VBHCVUAJLLSFFA-KRWDZBQOSA-N 2 1 382.549 0.842 20 0 GCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207235 1194205422 /nfs/dbraw/zinc/20/54/22/1194205422.db2.gz TWMBLNAJHBIYHP-QRQLOZEOSA-N 2 1 388.512 0.603 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NCC[NH2+]CCOC)CC[N@@H+]1Cc1ccccc1 ZINC000420187491 1194205885 /nfs/dbraw/zinc/20/58/85/1194205885.db2.gz RKMBDPDXCIFRNQ-SFHVURJKSA-N 2 1 376.501 0.462 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NCC[NH2+]CCOC)CC[N@H+]1Cc1ccccc1 ZINC000420187491 1194205888 /nfs/dbraw/zinc/20/58/88/1194205888.db2.gz RKMBDPDXCIFRNQ-SFHVURJKSA-N 2 1 376.501 0.462 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420192644 1194207862 /nfs/dbraw/zinc/20/78/62/1194207862.db2.gz QXDVKDCSJYECMB-IEBWSBKVSA-N 2 1 388.512 0.604 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420194305 1194208050 /nfs/dbraw/zinc/20/80/50/1194208050.db2.gz JRTSRYMVSDUAPW-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420194305 1194208052 /nfs/dbraw/zinc/20/80/52/1194208052.db2.gz JRTSRYMVSDUAPW-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CCOC ZINC000501599286 1194208901 /nfs/dbraw/zinc/20/89/01/1194208901.db2.gz QDVRSBGTACGQTA-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CCOC ZINC000501599286 1194208905 /nfs/dbraw/zinc/20/89/05/1194208905.db2.gz QDVRSBGTACGQTA-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599286 1194208908 /nfs/dbraw/zinc/20/89/08/1194208908.db2.gz QDVRSBGTACGQTA-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599286 1194208911 /nfs/dbraw/zinc/20/89/11/1194208911.db2.gz QDVRSBGTACGQTA-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000501599007 1194209014 /nfs/dbraw/zinc/20/90/14/1194209014.db2.gz RDCCQWLFRNGQDY-INIZCTEOSA-N 2 1 378.517 0.300 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624368 1194209853 /nfs/dbraw/zinc/20/98/53/1194209853.db2.gz NSCIUXJPHZHAPA-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000420209843 1194212145 /nfs/dbraw/zinc/21/21/45/1194212145.db2.gz VTKBDXHSGAXWIZ-LJQANCHMSA-N 2 1 396.491 0.589 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000501613991 1194213354 /nfs/dbraw/zinc/21/33/54/1194213354.db2.gz SMAHBNLVVAIZPW-GOSISDBHSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000501613991 1194213358 /nfs/dbraw/zinc/21/33/58/1194213358.db2.gz SMAHBNLVVAIZPW-GOSISDBHSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501634595 1194216120 /nfs/dbraw/zinc/21/61/20/1194216120.db2.gz DSWAYWATHWUPKW-RBUKOAKNSA-N 2 1 392.544 0.548 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501634595 1194216124 /nfs/dbraw/zinc/21/61/24/1194216124.db2.gz DSWAYWATHWUPKW-RBUKOAKNSA-N 2 1 392.544 0.548 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000501639678 1194216983 /nfs/dbraw/zinc/21/69/83/1194216983.db2.gz OBENJSRNZQGXIG-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000501639678 1194216985 /nfs/dbraw/zinc/21/69/85/1194216985.db2.gz OBENJSRNZQGXIG-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639678 1194216989 /nfs/dbraw/zinc/21/69/89/1194216989.db2.gz OBENJSRNZQGXIG-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639678 1194216994 /nfs/dbraw/zinc/21/69/94/1194216994.db2.gz OBENJSRNZQGXIG-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641328 1194217416 /nfs/dbraw/zinc/21/74/16/1194217416.db2.gz QYSLSQWPDMOGRX-BQFCYCMXSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641328 1194217420 /nfs/dbraw/zinc/21/74/20/1194217420.db2.gz QYSLSQWPDMOGRX-BQFCYCMXSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641328 1194217423 /nfs/dbraw/zinc/21/74/23/1194217423.db2.gz QYSLSQWPDMOGRX-BQFCYCMXSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641328 1194217427 /nfs/dbraw/zinc/21/74/27/1194217427.db2.gz QYSLSQWPDMOGRX-BQFCYCMXSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501641920 1194217840 /nfs/dbraw/zinc/21/78/40/1194217840.db2.gz SDNPRMAMCURTDX-RKVPGOIHSA-N 2 1 378.517 0.202 20 0 GCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347223 1194222186 /nfs/dbraw/zinc/22/21/86/1194222186.db2.gz FVPUFHWFVHUUML-INIZCTEOSA-N 2 1 382.530 0.295 20 0 GCADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000420359595 1194224055 /nfs/dbraw/zinc/22/40/55/1194224055.db2.gz GDZIMOKWBWRDQG-HBUWYVDXSA-N 2 1 382.530 0.359 20 0 GCADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387705 1194225758 /nfs/dbraw/zinc/22/57/58/1194225758.db2.gz WFRNOZDCMXVNST-QGZVFWFLSA-N 2 1 385.472 0.790 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407556 1194229307 /nfs/dbraw/zinc/22/93/07/1194229307.db2.gz OLDIGUTWNYPECK-RZLSGREXSA-N 2 1 382.530 0.816 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407556 1194229310 /nfs/dbraw/zinc/22/93/10/1194229310.db2.gz OLDIGUTWNYPECK-RZLSGREXSA-N 2 1 382.530 0.816 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000647907897 1194282178 /nfs/dbraw/zinc/28/21/78/1194282178.db2.gz LGUNWFOYQSJTFH-VNQPRFMTSA-N 2 1 378.498 0.282 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000647907897 1194282181 /nfs/dbraw/zinc/28/21/81/1194282181.db2.gz LGUNWFOYQSJTFH-VNQPRFMTSA-N 2 1 378.498 0.282 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421222905 1194311188 /nfs/dbraw/zinc/31/11/88/1194311188.db2.gz ZISRZFCMUKNAAD-MSOLQXFVSA-N 2 1 382.549 0.792 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421222905 1194311192 /nfs/dbraw/zinc/31/11/92/1194311192.db2.gz ZISRZFCMUKNAAD-MSOLQXFVSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249667 1194317144 /nfs/dbraw/zinc/31/71/44/1194317144.db2.gz MLLFZNRAXALBOB-ZWKOTPCHSA-N 2 1 381.565 0.316 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103440 1194386055 /nfs/dbraw/zinc/38/60/55/1194386055.db2.gz GSESGRVOQJQIQU-FUHWJXTLSA-N 2 1 379.549 0.166 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422145322 1194399124 /nfs/dbraw/zinc/39/91/24/1194399124.db2.gz ULNFTKRJEVEGSO-XDNAFOTISA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000422145322 1194399126 /nfs/dbraw/zinc/39/91/26/1194399126.db2.gz ULNFTKRJEVEGSO-XDNAFOTISA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@H](C)O1 ZINC000422145322 1194399128 /nfs/dbraw/zinc/39/91/28/1194399128.db2.gz ULNFTKRJEVEGSO-XDNAFOTISA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@H](C)O1 ZINC000422145322 1194399130 /nfs/dbraw/zinc/39/91/30/1194399130.db2.gz ULNFTKRJEVEGSO-XDNAFOTISA-N 2 1 380.533 0.639 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ccn1 ZINC000272659201 1194484177 /nfs/dbraw/zinc/48/41/77/1194484177.db2.gz HOBYBMAIPCCHOT-QGZVFWFLSA-N 2 1 389.500 0.401 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccn1 ZINC000272659199 1194484585 /nfs/dbraw/zinc/48/45/85/1194484585.db2.gz HOBYBMAIPCCHOT-KRWDZBQOSA-N 2 1 389.500 0.401 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCCn3cc[nH+]c3C)CC2)CC1 ZINC000422285268 1194602920 /nfs/dbraw/zinc/60/29/20/1194602920.db2.gz SDOLYJODEOEFHV-UHFFFAOYSA-N 2 1 390.532 0.326 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000422290385 1194604166 /nfs/dbraw/zinc/60/41/66/1194604166.db2.gz AOQFMUGDJWXCJC-QGZVFWFLSA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000422425958 1194638082 /nfs/dbraw/zinc/63/80/82/1194638082.db2.gz NKCZZWCTHAUPFT-IEBWSBKVSA-N 2 1 393.576 0.604 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000422495626 1194651763 /nfs/dbraw/zinc/65/17/63/1194651763.db2.gz SLYWODFKDHXIMO-KRWDZBQOSA-N 2 1 380.533 0.405 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000422493072 1194651833 /nfs/dbraw/zinc/65/18/33/1194651833.db2.gz XJEVMUJCFSFLIG-KRWDZBQOSA-N 2 1 380.533 0.405 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000422498903 1194652367 /nfs/dbraw/zinc/65/23/67/1194652367.db2.gz YHLZRKZNLKSNBQ-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000422498903 1194652368 /nfs/dbraw/zinc/65/23/68/1194652368.db2.gz YHLZRKZNLKSNBQ-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000422498903 1194652369 /nfs/dbraw/zinc/65/23/69/1194652369.db2.gz YHLZRKZNLKSNBQ-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000422498903 1194652371 /nfs/dbraw/zinc/65/23/71/1194652371.db2.gz YHLZRKZNLKSNBQ-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000422497474 1194652418 /nfs/dbraw/zinc/65/24/18/1194652418.db2.gz VNVKSFALOYJCTJ-MKXGPGLRSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000422497474 1194652421 /nfs/dbraw/zinc/65/24/21/1194652421.db2.gz VNVKSFALOYJCTJ-MKXGPGLRSA-N 2 1 394.560 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000422498901 1194652473 /nfs/dbraw/zinc/65/24/73/1194652473.db2.gz YHLZRKZNLKSNBQ-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000422498901 1194652476 /nfs/dbraw/zinc/65/24/76/1194652476.db2.gz YHLZRKZNLKSNBQ-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000422498901 1194652478 /nfs/dbraw/zinc/65/24/78/1194652478.db2.gz YHLZRKZNLKSNBQ-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000422498901 1194652480 /nfs/dbraw/zinc/65/24/80/1194652480.db2.gz YHLZRKZNLKSNBQ-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490164 1194656644 /nfs/dbraw/zinc/65/66/44/1194656644.db2.gz MKAKOHRXVJFVDB-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000422536753 1194664889 /nfs/dbraw/zinc/66/48/89/1194664889.db2.gz DMLBARRHXXMPRD-LMMKCTJWSA-N 2 1 394.560 0.935 20 0 GCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547346 1194668481 /nfs/dbraw/zinc/66/84/81/1194668481.db2.gz WNTNFSTXTCCQIV-RXVVDRJESA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000422547346 1194668484 /nfs/dbraw/zinc/66/84/84/1194668484.db2.gz WNTNFSTXTCCQIV-RXVVDRJESA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000422547346 1194668488 /nfs/dbraw/zinc/66/84/88/1194668488.db2.gz WNTNFSTXTCCQIV-RXVVDRJESA-N 2 1 388.512 0.292 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626356 1194678311 /nfs/dbraw/zinc/67/83/11/1194678311.db2.gz JRQQATVPMYVWOV-UHFFFAOYSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422638139 1194680396 /nfs/dbraw/zinc/68/03/96/1194680396.db2.gz PVIQURLXLXVOJS-IIAWOOMASA-N 2 1 382.530 0.298 20 0 GCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422638139 1194680398 /nfs/dbraw/zinc/68/03/98/1194680398.db2.gz PVIQURLXLXVOJS-IIAWOOMASA-N 2 1 382.530 0.298 20 0 GCADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422892865 1194707920 /nfs/dbraw/zinc/70/79/20/1194707920.db2.gz ZNXAONHSSBPMNA-CEXWTWQISA-N 2 1 388.512 0.767 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423046936 1194718942 /nfs/dbraw/zinc/71/89/42/1194718942.db2.gz GIQNIMKMONKQBN-IRXDYDNUSA-N 2 1 388.512 0.938 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423046936 1194718944 /nfs/dbraw/zinc/71/89/44/1194718944.db2.gz GIQNIMKMONKQBN-IRXDYDNUSA-N 2 1 388.512 0.938 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000423050348 1194721991 /nfs/dbraw/zinc/72/19/91/1194721991.db2.gz LPDDTVUVZUXDRC-SJLPKXTDSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000423050348 1194721993 /nfs/dbraw/zinc/72/19/93/1194721993.db2.gz LPDDTVUVZUXDRC-SJLPKXTDSA-N 2 1 388.512 0.925 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000423084569 1194726368 /nfs/dbraw/zinc/72/63/68/1194726368.db2.gz IJGFGSIFFWADFL-LJQANCHMSA-N 2 1 393.576 0.463 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423115760 1194727690 /nfs/dbraw/zinc/72/76/90/1194727690.db2.gz ODKNQENHHWXSHB-HOTGVXAUSA-N 2 1 376.526 0.503 20 0 GCADMP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423117549 1194727890 /nfs/dbraw/zinc/72/78/90/1194727890.db2.gz VXQPEGHLZVFXEV-NVXWUHKLSA-N 2 1 376.526 0.645 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423128167 1194729357 /nfs/dbraw/zinc/72/93/57/1194729357.db2.gz KLIMGLWXVBVWHZ-JQHSSLGASA-N 2 1 379.549 0.057 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000423128167 1194729359 /nfs/dbraw/zinc/72/93/59/1194729359.db2.gz KLIMGLWXVBVWHZ-JQHSSLGASA-N 2 1 379.549 0.057 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423112673 1194730573 /nfs/dbraw/zinc/73/05/73/1194730573.db2.gz JYSWAIURDCBNPK-IBGZPJMESA-N 2 1 376.526 0.647 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183957 1194734090 /nfs/dbraw/zinc/73/40/90/1194734090.db2.gz HAKPIQBOIUMEHH-JZXOWHBKSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183957 1194734092 /nfs/dbraw/zinc/73/40/92/1194734092.db2.gz HAKPIQBOIUMEHH-JZXOWHBKSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423166636 1194735208 /nfs/dbraw/zinc/73/52/08/1194735208.db2.gz RJOKXHMBGOWLKD-XUVXKRRUSA-N 2 1 399.539 0.962 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210830 1194737627 /nfs/dbraw/zinc/73/76/27/1194737627.db2.gz XRPXDYHQBIIHOV-SCTDSRPQSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C[C@@]1(C)C[NH3+] ZINC000423204800 1194739846 /nfs/dbraw/zinc/73/98/46/1194739846.db2.gz OOWJEXAMOSLVGK-PZTGFMGMSA-N 2 1 394.560 0.778 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423217429 1194740844 /nfs/dbraw/zinc/74/08/44/1194740844.db2.gz UDVPMJUZYGSCQL-CALCHBBNSA-N 2 1 381.565 0.447 20 0 GCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000423218976 1194741144 /nfs/dbraw/zinc/74/11/44/1194741144.db2.gz STHFHXAEHOVFHH-UHFFFAOYSA-N 2 1 380.533 0.820 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CCO1 ZINC000423233366 1194742423 /nfs/dbraw/zinc/74/24/23/1194742423.db2.gz OFPWVTVCQQGJAY-LJQANCHMSA-N 2 1 388.512 0.340 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000423263813 1194743137 /nfs/dbraw/zinc/74/31/37/1194743137.db2.gz PANGSRAKRWQOID-IBGZPJMESA-N 2 1 387.528 0.070 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1)Cc1ccccc1 ZINC000423263814 1194743210 /nfs/dbraw/zinc/74/32/10/1194743210.db2.gz PANGSRAKRWQOID-LJQANCHMSA-N 2 1 387.528 0.070 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000423271118 1194745474 /nfs/dbraw/zinc/74/54/74/1194745474.db2.gz XGLLPBPZQYRWQZ-LJQANCHMSA-N 2 1 387.528 0.212 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423406950 1194754924 /nfs/dbraw/zinc/75/49/24/1194754924.db2.gz ZNBBKRQEYYKPHB-UHFFFAOYSA-N 2 1 387.528 0.464 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423443872 1194755651 /nfs/dbraw/zinc/75/56/51/1194755651.db2.gz KWKARJAKZALXAC-OALUTQOASA-N 2 1 394.560 0.651 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423443980 1194755867 /nfs/dbraw/zinc/75/58/67/1194755867.db2.gz LELFZPVKNDPGCH-RTBURBONSA-N 2 1 394.560 0.794 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423452094 1194756575 /nfs/dbraw/zinc/75/65/75/1194756575.db2.gz VXMNOWHIDDLTQC-RBUKOAKNSA-N 2 1 394.560 0.651 20 0 GCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423462355 1194758373 /nfs/dbraw/zinc/75/83/73/1194758373.db2.gz OYUUGDYJMXZQLF-IXDOHACOSA-N 2 1 396.532 0.053 20 0 GCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423462355 1194758376 /nfs/dbraw/zinc/75/83/76/1194758376.db2.gz OYUUGDYJMXZQLF-IXDOHACOSA-N 2 1 396.532 0.053 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497988 1194759670 /nfs/dbraw/zinc/75/96/70/1194759670.db2.gz AUWRMCGUFMPEKK-CGTJXYLNSA-N 2 1 379.549 0.342 20 0 GCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000423490371 1194760719 /nfs/dbraw/zinc/76/07/19/1194760719.db2.gz XOWBGSUXWVGCSF-NZSAHSFTSA-N 2 1 386.496 0.120 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423494213 1194760914 /nfs/dbraw/zinc/76/09/14/1194760914.db2.gz ACEVVCKISUUGHN-FVJLSDCUSA-N 2 1 394.560 0.922 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423528519 1194761216 /nfs/dbraw/zinc/76/12/16/1194761216.db2.gz NKDDLLNERRLJBB-RTBURBONSA-N 2 1 395.592 0.850 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529114 1194761355 /nfs/dbraw/zinc/76/13/55/1194761355.db2.gz NXHHKHLZCJFOQD-NEWSRXKRSA-N 2 1 393.576 0.602 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529118 1194761561 /nfs/dbraw/zinc/76/15/61/1194761561.db2.gz NXHHKHLZCJFOQD-UHOSZYNNSA-N 2 1 393.576 0.602 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529120 1194761583 /nfs/dbraw/zinc/76/15/83/1194761583.db2.gz NXHHKHLZCJFOQD-YTQUADARSA-N 2 1 393.576 0.602 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423520125 1194762575 /nfs/dbraw/zinc/76/25/75/1194762575.db2.gz DSCXLDFEPRANJZ-RBUKOAKNSA-N 2 1 388.512 0.686 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423520125 1194762576 /nfs/dbraw/zinc/76/25/76/1194762576.db2.gz DSCXLDFEPRANJZ-RBUKOAKNSA-N 2 1 388.512 0.686 20 0 GCADMP C[C@@H](NC[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523050 1194763089 /nfs/dbraw/zinc/76/30/89/1194763089.db2.gz MVTNZEJIROWCBW-WBVHZDCISA-N 2 1 384.546 0.556 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000423575774 1194769020 /nfs/dbraw/zinc/76/90/20/1194769020.db2.gz WTVNPDQAIOAWMO-MMOPVJDHSA-N 2 1 388.512 0.278 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423576051 1194769295 /nfs/dbraw/zinc/76/92/95/1194769295.db2.gz XGDJXIWFMHGGPA-LLGFUMIMSA-N 2 1 388.512 0.291 20 0 GCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000423641139 1194777047 /nfs/dbraw/zinc/77/70/47/1194777047.db2.gz HEJGRMATMOXVOZ-BRWVUGGUSA-N 2 1 396.532 0.053 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623323 1194777876 /nfs/dbraw/zinc/77/78/76/1194777876.db2.gz OEKGCWAYUFRSPN-RXVVDRJESA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423623321 1194778035 /nfs/dbraw/zinc/77/80/35/1194778035.db2.gz OEKGCWAYUFRSPN-GHTZIAJQSA-N 2 1 388.512 0.422 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000423651308 1194779376 /nfs/dbraw/zinc/77/93/76/1194779376.db2.gz LSFJADORFQYSSY-LZJOCLMNSA-N 2 1 388.512 0.291 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000423692673 1194783066 /nfs/dbraw/zinc/78/30/66/1194783066.db2.gz QWEBHHFWOPERFG-UHFFFAOYSA-N 2 1 387.528 0.477 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423673884 1194784130 /nfs/dbraw/zinc/78/41/30/1194784130.db2.gz GYEULXHBYNPPMQ-RDGPPVDQSA-N 2 1 393.576 0.732 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423690773 1194786303 /nfs/dbraw/zinc/78/63/03/1194786303.db2.gz YYKJBXJHCYWVHJ-SJORKVTESA-N 2 1 395.548 0.023 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423690766 1194786434 /nfs/dbraw/zinc/78/64/34/1194786434.db2.gz YYKJBXJHCYWVHJ-DLBZAZTESA-N 2 1 395.548 0.023 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000504357537 1194788637 /nfs/dbraw/zinc/78/86/37/1194788637.db2.gz KVHXCGMQWVRFPH-ROUUACIJSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000504357537 1194788638 /nfs/dbraw/zinc/78/86/38/1194788638.db2.gz KVHXCGMQWVRFPH-ROUUACIJSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423738928 1194792953 /nfs/dbraw/zinc/79/29/53/1194792953.db2.gz QTENAHNVFBACDR-IMBTUZDBSA-N 2 1 394.560 0.920 20 0 GCADMP C[NH+](C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559023 1194796907 /nfs/dbraw/zinc/79/69/07/1194796907.db2.gz CYXFGDGVIFCJKK-AQNXPRMDSA-N 2 1 384.524 0.987 20 0 GCADMP C[C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@@H]1C[NH3+] ZINC000424068514 1194800409 /nfs/dbraw/zinc/80/04/09/1194800409.db2.gz IABBWJGBJXZTGS-OWSLCNJRSA-N 2 1 380.533 0.532 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000424448475 1194812434 /nfs/dbraw/zinc/81/24/34/1194812434.db2.gz OYBITOYNLHAOEV-OAHLLOKOSA-N 2 1 389.500 0.405 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424465400 1194813572 /nfs/dbraw/zinc/81/35/72/1194813572.db2.gz RSGMWFZVLUHZGW-GDAAHCPNSA-N 2 1 392.548 0.993 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1CC ZINC000424491687 1194816748 /nfs/dbraw/zinc/81/67/48/1194816748.db2.gz FFEQJPOYPLTQSA-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@@H]1CC ZINC000424491687 1194816749 /nfs/dbraw/zinc/81/67/49/1194816749.db2.gz FFEQJPOYPLTQSA-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000424494910 1194817240 /nfs/dbraw/zinc/81/72/40/1194817240.db2.gz ORHBDZAXXDUGHA-DLBZAZTESA-N 2 1 380.533 0.404 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000424494912 1194817324 /nfs/dbraw/zinc/81/73/24/1194817324.db2.gz ORHBDZAXXDUGHA-IAGOWNOFSA-N 2 1 380.533 0.404 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000424495189 1194817554 /nfs/dbraw/zinc/81/75/54/1194817554.db2.gz PPYNQOQTIQFEGX-ZWKOTPCHSA-N 2 1 388.512 0.509 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424498154 1194818250 /nfs/dbraw/zinc/81/82/50/1194818250.db2.gz YZGKUHBOPXFIHW-QGZVFWFLSA-N 2 1 394.560 0.794 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)CC[NH2+]CC2 ZINC000424536881 1194820091 /nfs/dbraw/zinc/82/00/91/1194820091.db2.gz BCHGMYYZCANKGQ-INIZCTEOSA-N 2 1 379.549 0.119 20 0 GCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424520844 1194821394 /nfs/dbraw/zinc/82/13/94/1194821394.db2.gz LBKJITOLXNFQGA-RYQLBKOJSA-N 2 1 390.532 0.302 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424523060 1194821962 /nfs/dbraw/zinc/82/19/62/1194821962.db2.gz NXXIBXADQCRRIT-XHSDSOJGSA-N 2 1 390.513 0.154 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424523058 1194821971 /nfs/dbraw/zinc/82/19/71/1194821971.db2.gz NXXIBXADQCRRIT-ARFHVFGLSA-N 2 1 390.513 0.154 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000424558486 1194824950 /nfs/dbraw/zinc/82/49/50/1194824950.db2.gz WRHYYCOWCMOWRH-ROUUACIJSA-N 2 1 393.576 0.365 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC000549969953 1194826407 /nfs/dbraw/zinc/82/64/07/1194826407.db2.gz BDSHLXQDSIWHHI-CALCHBBNSA-N 2 1 382.549 0.983 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998498 1194834959 /nfs/dbraw/zinc/83/49/59/1194834959.db2.gz IREXBDDIFILVER-ROUUACIJSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998498 1194834962 /nfs/dbraw/zinc/83/49/62/1194834962.db2.gz IREXBDDIFILVER-ROUUACIJSA-N 2 1 394.560 0.888 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)CC2)CC1 ZINC000652730507 1194853238 /nfs/dbraw/zinc/85/32/38/1194853238.db2.gz DQFCBFHJAWTQSB-UHFFFAOYSA-N 2 1 393.576 0.591 20 0 GCADMP CC[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664442136 1194865370 /nfs/dbraw/zinc/86/53/70/1194865370.db2.gz RJGYIOOEYJJIBB-FUMNGEBKSA-N 2 1 390.528 0.982 20 0 GCADMP CC[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664442136 1194865372 /nfs/dbraw/zinc/86/53/72/1194865372.db2.gz RJGYIOOEYJJIBB-FUMNGEBKSA-N 2 1 390.528 0.982 20 0 GCADMP CC(C)Nc1nc(NCCO)nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)n1 ZINC000425272576 1194885896 /nfs/dbraw/zinc/88/58/96/1194885896.db2.gz GTVCQFCPNIYHRN-ZWKOTPCHSA-N 2 1 397.527 0.651 20 0 GCADMP CC(C)Nc1nc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000425272576 1194885899 /nfs/dbraw/zinc/88/58/99/1194885899.db2.gz GTVCQFCPNIYHRN-ZWKOTPCHSA-N 2 1 397.527 0.651 20 0 GCADMP CC(C)Nc1nc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(NCCO)[nH+]1 ZINC000425272576 1194885902 /nfs/dbraw/zinc/88/59/02/1194885902.db2.gz GTVCQFCPNIYHRN-ZWKOTPCHSA-N 2 1 397.527 0.651 20 0 GCADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000514622942 1194888892 /nfs/dbraw/zinc/88/88/92/1194888892.db2.gz ZJAHYORHPYMAFO-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667623 1194893128 /nfs/dbraw/zinc/89/31/28/1194893128.db2.gz CGFLZPYHTYLASV-ZGXWSNOMSA-N 2 1 382.508 0.645 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000514667695 1194893198 /nfs/dbraw/zinc/89/31/98/1194893198.db2.gz NURZDLQRUNQGLZ-CALCHBBNSA-N 2 1 380.533 0.546 20 0 GCADMP [NH3+]CCOc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000514727998 1194900404 /nfs/dbraw/zinc/90/04/04/1194900404.db2.gz ARDYTXUEVPNSHL-SFHVURJKSA-N 2 1 390.484 0.676 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000514780380 1194910872 /nfs/dbraw/zinc/91/08/72/1194910872.db2.gz SMRNYSUORCUSQL-RTBURBONSA-N 2 1 391.560 0.310 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000514780380 1194910874 /nfs/dbraw/zinc/91/08/74/1194910874.db2.gz SMRNYSUORCUSQL-RTBURBONSA-N 2 1 391.560 0.310 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000514780377 1194910913 /nfs/dbraw/zinc/91/09/13/1194910913.db2.gz SMRNYSUORCUSQL-MOPGFXCFSA-N 2 1 391.560 0.310 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)C2)CC1 ZINC000514780377 1194910914 /nfs/dbraw/zinc/91/09/14/1194910914.db2.gz SMRNYSUORCUSQL-MOPGFXCFSA-N 2 1 391.560 0.310 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000514813616 1194916165 /nfs/dbraw/zinc/91/61/65/1194916165.db2.gz GJLGUENONRKCGI-MOPGFXCFSA-N 2 1 394.560 0.651 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000514813616 1194916168 /nfs/dbraw/zinc/91/61/68/1194916168.db2.gz GJLGUENONRKCGI-MOPGFXCFSA-N 2 1 394.560 0.651 20 0 GCADMP CCNC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000435386917 1194926416 /nfs/dbraw/zinc/92/64/16/1194926416.db2.gz WEUJOEFNJZSISB-MRXNPFEDSA-N 2 1 392.500 0.497 20 0 GCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425381263 1194932924 /nfs/dbraw/zinc/93/29/24/1194932924.db2.gz FSEGBILRUMKQJC-IAGOWNOFSA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425381263 1194932927 /nfs/dbraw/zinc/93/29/27/1194932927.db2.gz FSEGBILRUMKQJC-IAGOWNOFSA-N 2 1 382.549 0.887 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000425383693 1194934651 /nfs/dbraw/zinc/93/46/51/1194934651.db2.gz IUOIIXVPGGGZCP-QGZVFWFLSA-N 2 1 382.549 0.888 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000425383693 1194934653 /nfs/dbraw/zinc/93/46/53/1194934653.db2.gz IUOIIXVPGGGZCP-QGZVFWFLSA-N 2 1 382.549 0.888 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)CC1 ZINC000425390501 1194941065 /nfs/dbraw/zinc/94/10/65/1194941065.db2.gz QTJIKUHMDMHTPD-RBUKOAKNSA-N 2 1 391.560 0.025 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425392477 1194941814 /nfs/dbraw/zinc/94/18/14/1194941814.db2.gz TUTQWSOXTUVWQJ-XYJFISCASA-N 2 1 378.517 0.251 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@@H+]1CCOC ZINC000425398552 1194951512 /nfs/dbraw/zinc/95/15/12/1194951512.db2.gz IJFYZKWNCNIRST-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@H+]1CCOC ZINC000425398552 1194951513 /nfs/dbraw/zinc/95/15/13/1194951513.db2.gz IJFYZKWNCNIRST-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000425398552 1194951514 /nfs/dbraw/zinc/95/15/14/1194951514.db2.gz IJFYZKWNCNIRST-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000425398552 1194951516 /nfs/dbraw/zinc/95/15/16/1194951516.db2.gz IJFYZKWNCNIRST-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000425400837 1194952824 /nfs/dbraw/zinc/95/28/24/1194952824.db2.gz KUBUMELINFWOKY-SFHVURJKSA-N 2 1 394.560 0.746 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000425400837 1194952825 /nfs/dbraw/zinc/95/28/25/1194952825.db2.gz KUBUMELINFWOKY-SFHVURJKSA-N 2 1 394.560 0.746 20 0 GCADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062705 1194983617 /nfs/dbraw/zinc/98/36/17/1194983617.db2.gz JMUHSRBTJGPORP-MRXNPFEDSA-N 2 1 394.491 0.982 20 0 GCADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436062705 1194983620 /nfs/dbraw/zinc/98/36/20/1194983620.db2.gz JMUHSRBTJGPORP-MRXNPFEDSA-N 2 1 394.491 0.982 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000436125505 1194986256 /nfs/dbraw/zinc/98/62/56/1194986256.db2.gz BEDVMRAVAUXLJW-IAGOWNOFSA-N 2 1 397.564 0.416 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000436256426 1194993646 /nfs/dbraw/zinc/99/36/46/1194993646.db2.gz BNDTWGFGRWORGH-HOTGVXAUSA-N 2 1 383.537 0.060 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000505802246 1194998668 /nfs/dbraw/zinc/99/86/68/1194998668.db2.gz OISAGSUAYWFQHW-MRXNPFEDSA-N 2 1 395.548 0.972 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)C1CC1 ZINC000414882909 1194999673 /nfs/dbraw/zinc/99/96/73/1194999673.db2.gz SNBSQHVIJALENS-UHFFFAOYSA-N 2 1 389.500 0.120 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000516182699 1195028532 /nfs/dbraw/zinc/02/85/32/1195028532.db2.gz LSXUMHFBWBKQBD-APWZRJJASA-N 2 1 396.438 0.848 20 0 GCADMP NC(=O)CCN(C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000516182652 1195028725 /nfs/dbraw/zinc/02/87/25/1195028725.db2.gz FUXVPJJRYIHXKA-XLIONFOSSA-N 2 1 392.475 0.862 20 0 GCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199041 1195031133 /nfs/dbraw/zinc/03/11/33/1195031133.db2.gz KSUCAZDXMJTKHL-RBUKOAKNSA-N 2 1 392.544 0.833 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000288255268 1195054467 /nfs/dbraw/zinc/05/44/67/1195054467.db2.gz TWBGPLMGFFEEBH-LJQANCHMSA-N 2 1 390.528 0.804 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000288255268 1195054469 /nfs/dbraw/zinc/05/44/69/1195054469.db2.gz TWBGPLMGFFEEBH-LJQANCHMSA-N 2 1 390.528 0.804 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000288255268 1195054471 /nfs/dbraw/zinc/05/44/71/1195054471.db2.gz TWBGPLMGFFEEBH-LJQANCHMSA-N 2 1 390.528 0.804 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000437130383 1195075294 /nfs/dbraw/zinc/07/52/94/1195075294.db2.gz YRVRORHEBZTTFS-ZWKOTPCHSA-N 2 1 380.533 0.500 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000437130383 1195075296 /nfs/dbraw/zinc/07/52/96/1195075296.db2.gz YRVRORHEBZTTFS-ZWKOTPCHSA-N 2 1 380.533 0.500 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516750703 1195090023 /nfs/dbraw/zinc/09/00/23/1195090023.db2.gz FZRWOQFZCOAYFZ-MOPGFXCFSA-N 2 1 389.544 0.361 20 0 GCADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000516857943 1195105916 /nfs/dbraw/zinc/10/59/16/1195105916.db2.gz QYBIYCQFPSRXNC-KZNAEPCWSA-N 2 1 388.512 0.653 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516917240 1195112330 /nfs/dbraw/zinc/11/23/30/1195112330.db2.gz QYJIUAWLXCMMPJ-LPHOPBHVSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516917240 1195112332 /nfs/dbraw/zinc/11/23/32/1195112332.db2.gz QYJIUAWLXCMMPJ-LPHOPBHVSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516917239 1195112425 /nfs/dbraw/zinc/11/24/25/1195112425.db2.gz QYJIUAWLXCMMPJ-APWZRJJASA-N 2 1 388.512 0.508 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516917239 1195112426 /nfs/dbraw/zinc/11/24/26/1195112426.db2.gz QYJIUAWLXCMMPJ-APWZRJJASA-N 2 1 388.512 0.508 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cc(C(C)(C)C)on1 ZINC000437478903 1195115180 /nfs/dbraw/zinc/11/51/80/1195115180.db2.gz ZOJKXGOHISJMFB-UHFFFAOYSA-N 2 1 379.505 1.395 20 0 GCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000549991858 1195115780 /nfs/dbraw/zinc/11/57/80/1195115780.db2.gz WKWVRPXWSKYSJC-IBGZPJMESA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@@H](C)O1 ZINC000516976234 1195119349 /nfs/dbraw/zinc/11/93/49/1195119349.db2.gz AXKPJWARCHYGCZ-JFIYKMOQSA-N 2 1 380.533 0.674 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@@H](C)O1 ZINC000516976236 1195119633 /nfs/dbraw/zinc/11/96/33/1195119633.db2.gz AXKPJWARCHYGCZ-NUJGCVRESA-N 2 1 380.533 0.674 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@@H](C)O1 ZINC000517058238 1195130630 /nfs/dbraw/zinc/13/06/30/1195130630.db2.gz FZELJKSZRKEJKK-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425876478 1195144815 /nfs/dbraw/zinc/14/48/15/1195144815.db2.gz BGGFQQRJJBMZOJ-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425876478 1195144818 /nfs/dbraw/zinc/14/48/18/1195144818.db2.gz BGGFQQRJJBMZOJ-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000425891631 1195154635 /nfs/dbraw/zinc/15/46/35/1195154635.db2.gz PHKJYMZOSARZTD-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000425891693 1195154697 /nfs/dbraw/zinc/15/46/97/1195154697.db2.gz PPACBKVYIKICAL-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000517250914 1195164522 /nfs/dbraw/zinc/16/45/22/1195164522.db2.gz WUULEQPGBOAFRV-LJQANCHMSA-N 2 1 395.592 0.757 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000517250457 1195164987 /nfs/dbraw/zinc/16/49/87/1195164987.db2.gz ZOWNHFCFKBGMRL-GOSISDBHSA-N 2 1 381.565 0.223 20 0 GCADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526002 1195188431 /nfs/dbraw/zinc/18/84/31/1195188431.db2.gz CXBYRRFLIYISMG-SJORKVTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@H]1C ZINC000517526002 1195188434 /nfs/dbraw/zinc/18/84/34/1195188434.db2.gz CXBYRRFLIYISMG-SJORKVTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@H]1C ZINC000517526002 1195188438 /nfs/dbraw/zinc/18/84/38/1195188438.db2.gz CXBYRRFLIYISMG-SJORKVTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526002 1195188440 /nfs/dbraw/zinc/18/84/40/1195188440.db2.gz CXBYRRFLIYISMG-SJORKVTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526002 1195188443 /nfs/dbraw/zinc/18/84/43/1195188443.db2.gz CXBYRRFLIYISMG-SJORKVTESA-N 2 1 380.533 0.377 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000517536736 1195189252 /nfs/dbraw/zinc/18/92/52/1195189252.db2.gz OMZXTROUWMYFCD-KRWDZBQOSA-N 2 1 379.505 0.513 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000517536736 1195189254 /nfs/dbraw/zinc/18/92/54/1195189254.db2.gz OMZXTROUWMYFCD-KRWDZBQOSA-N 2 1 379.505 0.513 20 0 GCADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+]1CCOCC1 ZINC000517566409 1195193869 /nfs/dbraw/zinc/19/38/69/1195193869.db2.gz OJXKTYBNHNESFF-GOSISDBHSA-N 2 1 397.564 0.585 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000517661069 1195204514 /nfs/dbraw/zinc/20/45/14/1195204514.db2.gz JAMYUIWBNJBWKM-IBGZPJMESA-N 2 1 392.544 0.690 20 0 GCADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517668749 1195205306 /nfs/dbraw/zinc/20/53/06/1195205306.db2.gz XOGLXTPSICNFMH-QRVBRYPASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517668749 1195205308 /nfs/dbraw/zinc/20/53/08/1195205308.db2.gz XOGLXTPSICNFMH-QRVBRYPASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000517903240 1195227705 /nfs/dbraw/zinc/22/77/05/1195227705.db2.gz VHTVNZBSLQRJML-PBWTXFEYSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000517903240 1195227710 /nfs/dbraw/zinc/22/77/10/1195227710.db2.gz VHTVNZBSLQRJML-PBWTXFEYSA-N 2 1 388.512 0.588 20 0 GCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000517903261 1195227728 /nfs/dbraw/zinc/22/77/28/1195227728.db2.gz YSANURNXWSHHPJ-QZTJIDSGSA-N 2 1 390.553 0.918 20 0 GCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000517903261 1195227731 /nfs/dbraw/zinc/22/77/31/1195227731.db2.gz YSANURNXWSHHPJ-QZTJIDSGSA-N 2 1 390.553 0.918 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000517916489 1195229128 /nfs/dbraw/zinc/22/91/28/1195229128.db2.gz NKXYETIUCJTYOH-UHFFFAOYSA-N 2 1 381.521 0.095 20 0 GCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cn(CCCC[NH3+])nn3)cc2)CC1 ZINC000517930799 1195229662 /nfs/dbraw/zinc/22/96/62/1195229662.db2.gz KWPMMTQSADEULS-UHFFFAOYSA-N 2 1 399.499 0.586 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000517974515 1195232938 /nfs/dbraw/zinc/23/29/38/1195232938.db2.gz YNJNKHCPPVOAKU-OALUTQOASA-N 2 1 391.560 0.215 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2O)CC1 ZINC000426201751 1195261366 /nfs/dbraw/zinc/26/13/66/1195261366.db2.gz BOCZACPNUMBFSU-HZPDHXFCSA-N 2 1 387.488 0.247 20 0 GCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC([N@@H+](C)CCO)CC2)cc1F ZINC000518610046 1195307302 /nfs/dbraw/zinc/30/73/02/1195307302.db2.gz YNYYMUPJKLDRTE-UHFFFAOYSA-N 2 1 394.491 0.419 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)CCC[NH+](C)C)CC2)nc(C)[nH+]1 ZINC000518606556 1195308923 /nfs/dbraw/zinc/30/89/23/1195308923.db2.gz VAZXBWYSMXLZLN-UHFFFAOYSA-N 2 1 376.505 0.589 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@@H]1O ZINC000664749358 1195315031 /nfs/dbraw/zinc/31/50/31/1195315031.db2.gz FMLZMKOYBVLQBA-SQNIBIBYSA-N 2 1 378.542 0.920 20 0 GCADMP C[NH+]1CCC(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)(N2CCOCC2)CC1 ZINC000518724138 1195323385 /nfs/dbraw/zinc/32/33/85/1195323385.db2.gz ASIUFTWYTFQCBB-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000518737507 1195325222 /nfs/dbraw/zinc/32/52/22/1195325222.db2.gz IVXSLLIAXZSOKM-WMZOPIPTSA-N 2 1 376.501 0.460 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000518737507 1195325224 /nfs/dbraw/zinc/32/52/24/1195325224.db2.gz IVXSLLIAXZSOKM-WMZOPIPTSA-N 2 1 376.501 0.460 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771449 1195330023 /nfs/dbraw/zinc/33/00/23/1195330023.db2.gz PQGIRHQAZAMNRV-LSDHHAIUSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771449 1195330028 /nfs/dbraw/zinc/33/00/28/1195330028.db2.gz PQGIRHQAZAMNRV-LSDHHAIUSA-N 2 1 398.504 0.328 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802354 1195335895 /nfs/dbraw/zinc/33/58/95/1195335895.db2.gz ALDBCYNZBUZALL-IEBWSBKVSA-N 2 1 391.560 0.214 20 0 GCADMP CCCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000426506438 1195356337 /nfs/dbraw/zinc/35/63/37/1195356337.db2.gz GBTUFPVJWFDWAL-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000426506438 1195356342 /nfs/dbraw/zinc/35/63/42/1195356342.db2.gz GBTUFPVJWFDWAL-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2)nn1 ZINC000519153382 1195373959 /nfs/dbraw/zinc/37/39/59/1195373959.db2.gz RVILGXXDUPLBHB-HXUWFJFHSA-N 2 1 397.527 0.718 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000519189476 1195378435 /nfs/dbraw/zinc/37/84/35/1195378435.db2.gz BNBJVNUCQOQSGI-SFHVURJKSA-N 2 1 398.548 0.029 20 0 GCADMP CC(C)CN1CCO[C@@H](CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000519189476 1195378440 /nfs/dbraw/zinc/37/84/40/1195378440.db2.gz BNBJVNUCQOQSGI-SFHVURJKSA-N 2 1 398.548 0.029 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426564790 1195380753 /nfs/dbraw/zinc/38/07/53/1195380753.db2.gz INSQZQDXIDACKH-MOPGFXCFSA-N 2 1 382.549 0.852 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000519201333 1195381755 /nfs/dbraw/zinc/38/17/55/1195381755.db2.gz KJYYJNUOMIIEOT-SFHVURJKSA-N 2 1 394.560 0.842 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)n1C ZINC000440308517 1195404749 /nfs/dbraw/zinc/40/47/49/1195404749.db2.gz YLNFSSQKTREMTD-UHFFFAOYSA-N 2 1 388.472 0.681 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1(C)C ZINC000664815652 1195428291 /nfs/dbraw/zinc/42/82/91/1195428291.db2.gz RTHAUKNYSMQIEC-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000550093752 1195433428 /nfs/dbraw/zinc/43/34/28/1195433428.db2.gz FGCARBVNKZDYFU-KZNAEPCWSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000550094913 1195433637 /nfs/dbraw/zinc/43/36/37/1195433637.db2.gz LDESDWZVUARYLL-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000550093753 1195433785 /nfs/dbraw/zinc/43/37/85/1195433785.db2.gz FGCARBVNKZDYFU-OKZBNKHCSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000550096141 1195435422 /nfs/dbraw/zinc/43/54/22/1195435422.db2.gz VCDWZOFZLYGICB-IRXDYDNUSA-N 2 1 377.489 0.347 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000550103744 1195436659 /nfs/dbraw/zinc/43/66/59/1195436659.db2.gz SLDIZWJDEODHFY-UHFFFAOYSA-N 2 1 381.565 0.367 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550133415 1195445542 /nfs/dbraw/zinc/44/55/42/1195445542.db2.gz NZKSCJYAAQLKKV-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426773423 1195481692 /nfs/dbraw/zinc/48/16/92/1195481692.db2.gz PCHDHUIEQGBKEU-LJQANCHMSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426773423 1195481695 /nfs/dbraw/zinc/48/16/95/1195481695.db2.gz PCHDHUIEQGBKEU-LJQANCHMSA-N 2 1 392.544 0.690 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000519590104 1195495882 /nfs/dbraw/zinc/49/58/82/1195495882.db2.gz UJBQZDXAPYVPOW-JKSUJKDBSA-N 2 1 380.562 0.239 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)n2)CC1 ZINC000427524886 1195548638 /nfs/dbraw/zinc/54/86/38/1195548638.db2.gz MVEWPPLLIMYRSK-WBVHZDCISA-N 2 1 388.516 1.031 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550299787 1195553429 /nfs/dbraw/zinc/55/34/29/1195553429.db2.gz PEXVKHDMFPMAGG-CALCHBBNSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000519704559 1195563885 /nfs/dbraw/zinc/56/38/85/1195563885.db2.gz DXMRXOHGCRNAKT-IRXDYDNUSA-N 2 1 380.533 0.452 20 0 GCADMP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000415792125 1195579480 /nfs/dbraw/zinc/57/94/80/1195579480.db2.gz SQEXNFXHIOAVPL-INIZCTEOSA-N 2 1 389.500 0.185 20 0 GCADMP CC1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC[NH2+]CC1 ZINC000416958977 1195616067 /nfs/dbraw/zinc/61/60/67/1195616067.db2.gz UTXWQZJCLUEQPY-UHFFFAOYSA-N 2 1 375.521 0.678 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000520352980 1195624689 /nfs/dbraw/zinc/62/46/89/1195624689.db2.gz PMNWPTWCJVXINA-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NC[C@@H]2CCCO2)CC1 ZINC000112680396 1195640147 /nfs/dbraw/zinc/64/01/47/1195640147.db2.gz UCADMZLSFKHXDW-KRWDZBQOSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)N1CCOCC1 ZINC000550358796 1195643729 /nfs/dbraw/zinc/64/37/29/1195643729.db2.gz FJGKTBXVSPGFNT-QZTJIDSGSA-N 2 1 382.549 0.648 20 0 GCADMP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)N1CCOCC1 ZINC000550358796 1195643733 /nfs/dbraw/zinc/64/37/33/1195643733.db2.gz FJGKTBXVSPGFNT-QZTJIDSGSA-N 2 1 382.549 0.648 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@](C(N)=O)(c4ccccc4)C3)cn2)CC1 ZINC000895001571 1195646011 /nfs/dbraw/zinc/64/60/11/1195646011.db2.gz VACCIBKHEVKJCO-OAQYLSRUSA-N 2 1 380.496 0.857 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@](C(N)=O)(c4ccccc4)C3)cn2)CC1 ZINC000895001571 1195646015 /nfs/dbraw/zinc/64/60/15/1195646015.db2.gz VACCIBKHEVKJCO-OAQYLSRUSA-N 2 1 380.496 0.857 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@@](C(N)=O)(c4ccccc4)C3)cn2)CC1 ZINC000895001568 1195646045 /nfs/dbraw/zinc/64/60/45/1195646045.db2.gz VACCIBKHEVKJCO-NRFANRHFSA-N 2 1 380.496 0.857 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@@](C(N)=O)(c4ccccc4)C3)cn2)CC1 ZINC000895001568 1195646048 /nfs/dbraw/zinc/64/60/48/1195646048.db2.gz VACCIBKHEVKJCO-NRFANRHFSA-N 2 1 380.496 0.857 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3nc(C(N)=O)cc(N4CC[C@H]5[C@H](CC[N@@H+]5C)C4)n3)CC[C@H]21 ZINC000895020889 1195650670 /nfs/dbraw/zinc/65/06/70/1195650670.db2.gz CZLCGHPZDCSURS-XYVMCAHJSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@H](CC[N@@H+]5C)C4)n3)CC[C@@H]21 ZINC000895020889 1195650671 /nfs/dbraw/zinc/65/06/71/1195650671.db2.gz CZLCGHPZDCSURS-XYVMCAHJSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@H](CC[N@H+]5C)C4)n3)CC[C@@H]21 ZINC000895020889 1195650673 /nfs/dbraw/zinc/65/06/73/1195650673.db2.gz CZLCGHPZDCSURS-XYVMCAHJSA-N 2 1 399.543 0.636 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)O1)[NH+](C)C1CC1 ZINC000189067897 1195741799 /nfs/dbraw/zinc/74/17/99/1195741799.db2.gz KLEDDGPXOFRLMM-DTDBQYNISA-N 2 1 380.533 0.732 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)C2CC2)O1)[NH+](C)C1CC1 ZINC000189067897 1195741802 /nfs/dbraw/zinc/74/18/02/1195741802.db2.gz KLEDDGPXOFRLMM-DTDBQYNISA-N 2 1 380.533 0.732 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)O1)[NH+](C)C1CC1 ZINC000189067897 1195741805 /nfs/dbraw/zinc/74/18/05/1195741805.db2.gz KLEDDGPXOFRLMM-DTDBQYNISA-N 2 1 380.533 0.732 20 0 GCADMP CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000458982096 1195743401 /nfs/dbraw/zinc/74/34/01/1195743401.db2.gz PQCPEUNWBGKVGZ-HOTGVXAUSA-N 2 1 391.582 0.372 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000536356044 1195744541 /nfs/dbraw/zinc/74/45/41/1195744541.db2.gz QTVDYFHVINKMPS-IPMKNSEASA-N 2 1 375.517 0.167 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536356044 1195744546 /nfs/dbraw/zinc/74/45/46/1195744546.db2.gz QTVDYFHVINKMPS-IPMKNSEASA-N 2 1 375.517 0.167 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1CCCN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000189455692 1195747911 /nfs/dbraw/zinc/74/79/11/1195747911.db2.gz WWUUCSJPTAIMHP-OALUTQOASA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1CN(CCCN2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC[N@H+]1CC(C)(C)O ZINC000189930125 1195754812 /nfs/dbraw/zinc/75/48/12/1195754812.db2.gz PHNPAKQTXTZOFP-KDURUIRLSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1CN(CCCN2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000189930125 1195754814 /nfs/dbraw/zinc/75/48/14/1195754814.db2.gz PHNPAKQTXTZOFP-KDURUIRLSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1CN(CCCN2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000189930125 1195754817 /nfs/dbraw/zinc/75/48/17/1195754817.db2.gz PHNPAKQTXTZOFP-KDURUIRLSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000520514653 1195778187 /nfs/dbraw/zinc/77/81/87/1195778187.db2.gz SVHGWBQFKSJQQR-SQNIBIBYSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000474008109 1195827683 /nfs/dbraw/zinc/82/76/83/1195827683.db2.gz JYPATNUBRUFEFX-QGZVFWFLSA-N 2 1 397.564 0.464 20 0 GCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417791977 1195858573 /nfs/dbraw/zinc/85/85/73/1195858573.db2.gz KALLAIUVKGOECJ-ROUUACIJSA-N 2 1 377.533 0.857 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417791977 1195858579 /nfs/dbraw/zinc/85/85/79/1195858579.db2.gz KALLAIUVKGOECJ-ROUUACIJSA-N 2 1 377.533 0.857 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)CC2)CCO1 ZINC000507842986 1195862930 /nfs/dbraw/zinc/86/29/30/1195862930.db2.gz ARCCZXWEWLSEEO-WELJNPPOSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000507842986 1195862934 /nfs/dbraw/zinc/86/29/34/1195862934.db2.gz ARCCZXWEWLSEEO-WELJNPPOSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@H]1C[NH+](C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000507842986 1195862940 /nfs/dbraw/zinc/86/29/40/1195862940.db2.gz ARCCZXWEWLSEEO-WELJNPPOSA-N 2 1 392.544 0.830 20 0 GCADMP CCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507912879 1195871677 /nfs/dbraw/zinc/87/16/77/1195871677.db2.gz ISHUIEBIAYSJRV-UHFFFAOYSA-N 2 1 381.521 0.536 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000428033009 1195904662 /nfs/dbraw/zinc/90/46/62/1195904662.db2.gz LWFUYZXXRFAIHS-QZTJIDSGSA-N 2 1 380.533 0.689 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000428033009 1195904664 /nfs/dbraw/zinc/90/46/64/1195904664.db2.gz LWFUYZXXRFAIHS-QZTJIDSGSA-N 2 1 380.533 0.689 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000428033009 1195904667 /nfs/dbraw/zinc/90/46/67/1195904667.db2.gz LWFUYZXXRFAIHS-QZTJIDSGSA-N 2 1 380.533 0.689 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)c2)CC1 ZINC000441989491 1195939787 /nfs/dbraw/zinc/93/97/87/1195939787.db2.gz WFYSWIZQVMAYQL-SFHVURJKSA-N 2 1 385.512 0.725 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000521036010 1195955742 /nfs/dbraw/zinc/95/57/42/1195955742.db2.gz JEJPIWFXMLSWDD-CABCVRRESA-N 2 1 379.530 0.021 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000550455842 1195963158 /nfs/dbraw/zinc/96/31/58/1195963158.db2.gz OJDUXXOZNODXIP-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000521117560 1195964439 /nfs/dbraw/zinc/96/44/39/1195964439.db2.gz WPBVGHNFIKERRU-MSOLQXFVSA-N 2 1 378.517 0.396 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000442366088 1195981445 /nfs/dbraw/zinc/98/14/45/1195981445.db2.gz AIHRBCHEQHAIOA-GOSISDBHSA-N 2 1 382.597 0.584 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754763 1196002358 /nfs/dbraw/zinc/00/23/58/1196002358.db2.gz IOXIWKFBUPWVNT-LSDHHAIUSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754763 1196002361 /nfs/dbraw/zinc/00/23/61/1196002361.db2.gz IOXIWKFBUPWVNT-LSDHHAIUSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065486 1196017552 /nfs/dbraw/zinc/01/75/52/1196017552.db2.gz ZXBHPTJBYJFCOA-ZIAGYGMSSA-N 2 1 380.514 0.672 20 0 GCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061647 1196017593 /nfs/dbraw/zinc/01/75/93/1196017593.db2.gz RWZLDYLCRYJABO-RRFJBIMHSA-N 2 1 382.530 0.961 20 0 GCADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000443061732 1196017689 /nfs/dbraw/zinc/01/76/89/1196017689.db2.gz SLWNJUMFZJGCJF-GOSISDBHSA-N 2 1 388.512 0.836 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@H](C)C1 ZINC000469764982 1196022429 /nfs/dbraw/zinc/02/24/29/1196022429.db2.gz QRBPNUWZLHTLSW-NVXWUHKLSA-N 2 1 387.550 0.425 20 0 GCADMP CN1CCN(C)[C@H](CNC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)C1 ZINC000521922735 1196025229 /nfs/dbraw/zinc/02/52/29/1196025229.db2.gz OXEOCDHOIYCKSA-GOSISDBHSA-N 2 1 384.484 0.888 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C[N@H+]1C1CC1 ZINC000521937704 1196027152 /nfs/dbraw/zinc/02/71/52/1196027152.db2.gz UVIDQUAAPVAPPV-SIUPPRGNSA-N 2 1 378.517 0.222 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000522014941 1196034163 /nfs/dbraw/zinc/03/41/63/1196034163.db2.gz RSPHNEXLOGGOED-LULLPPNCSA-N 2 1 385.512 0.850 20 0 GCADMP O=C(C[NH2+]C[C@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000522002478 1196034767 /nfs/dbraw/zinc/03/47/67/1196034767.db2.gz XFHSSZQLDUGHAD-LJQANCHMSA-N 2 1 376.501 0.901 20 0 GCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000367052621 1196037281 /nfs/dbraw/zinc/03/72/81/1196037281.db2.gz LMVPSUJDCKSGFV-LJQANCHMSA-N 2 1 393.576 0.463 20 0 GCADMP CN(C(=O)[C@@H]1CCCCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000522059837 1196041056 /nfs/dbraw/zinc/04/10/56/1196041056.db2.gz CDYPVPUMXFHQQS-SFHVURJKSA-N 2 1 379.549 0.215 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CCC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087579093 1196050193 /nfs/dbraw/zinc/05/01/93/1196050193.db2.gz HPXMOTUOHURFQZ-MWDXBVQZSA-N 2 1 378.517 0.835 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087579093 1196050194 /nfs/dbraw/zinc/05/01/94/1196050194.db2.gz HPXMOTUOHURFQZ-MWDXBVQZSA-N 2 1 378.517 0.835 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CCN1C(=O)CCC1=O ZINC001087579093 1196050195 /nfs/dbraw/zinc/05/01/95/1196050195.db2.gz HPXMOTUOHURFQZ-MWDXBVQZSA-N 2 1 378.517 0.835 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000550481606 1196053781 /nfs/dbraw/zinc/05/37/81/1196053781.db2.gz TUCOTJHOLXIZEP-GOSISDBHSA-N 2 1 393.576 0.319 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000550481606 1196053784 /nfs/dbraw/zinc/05/37/84/1196053784.db2.gz TUCOTJHOLXIZEP-GOSISDBHSA-N 2 1 393.576 0.319 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000550481606 1196053785 /nfs/dbraw/zinc/05/37/85/1196053785.db2.gz TUCOTJHOLXIZEP-GOSISDBHSA-N 2 1 393.576 0.319 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000550484328 1196054822 /nfs/dbraw/zinc/05/48/22/1196054822.db2.gz QCHBSJVNELKXES-CVEARBPZSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000550484328 1196054828 /nfs/dbraw/zinc/05/48/28/1196054828.db2.gz QCHBSJVNELKXES-CVEARBPZSA-N 2 1 376.501 0.278 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cn1cnc2sccc2c1=O ZINC000522191784 1196058403 /nfs/dbraw/zinc/05/84/03/1196058403.db2.gz KIUSYAJETYPZHC-UHFFFAOYSA-N 2 1 377.514 0.942 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550515893 1196071083 /nfs/dbraw/zinc/07/10/83/1196071083.db2.gz YYEAPULIWWJOLJ-UHFFFAOYSA-N 2 1 394.491 0.601 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1 ZINC000522288847 1196072919 /nfs/dbraw/zinc/07/29/19/1196072919.db2.gz LQOUDNHCKIRCCP-HNNXBMFYSA-N 2 1 399.561 0.753 20 0 GCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)C[C@]2(C)C1 ZINC000895333304 1196083193 /nfs/dbraw/zinc/08/31/93/1196083193.db2.gz DFUQQLHEGOBKDA-MJGOQNOKSA-N 2 1 379.549 0.376 20 0 GCADMP COC(=O)c1cc(C2CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C2)[nH]n1 ZINC000895665291 1196106625 /nfs/dbraw/zinc/10/66/25/1196106625.db2.gz BCXWJSXPYFNUPM-ZDUSSCGKSA-N 2 1 380.493 0.577 20 0 GCADMP COC(=O)c1cc(C2CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C2)[nH]n1 ZINC000895665291 1196106627 /nfs/dbraw/zinc/10/66/27/1196106627.db2.gz BCXWJSXPYFNUPM-ZDUSSCGKSA-N 2 1 380.493 0.577 20 0 GCADMP O=C(NCc1ccccc1OCCN1CCOCC1)C1CN([C@H]2CCOC2)C1 ZINC000895944045 1196119489 /nfs/dbraw/zinc/11/94/89/1196119489.db2.gz MNZPKLDXUJENOM-IBGZPJMESA-N 2 1 389.496 0.735 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896163394 1196130272 /nfs/dbraw/zinc/13/02/72/1196130272.db2.gz MGWLDOJSDHTDER-KRWDZBQOSA-N 2 1 376.505 0.803 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896163394 1196130274 /nfs/dbraw/zinc/13/02/74/1196130274.db2.gz MGWLDOJSDHTDER-KRWDZBQOSA-N 2 1 376.505 0.803 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4nnc5n4CCOC5)C[C@H]3C2)CC[N@H+]1C ZINC001087971876 1196142740 /nfs/dbraw/zinc/14/27/40/1196142740.db2.gz XVABRVCCZZFHRQ-WCXIOVBPSA-N 2 1 388.516 0.429 20 0 GCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468165 1196149699 /nfs/dbraw/zinc/14/96/99/1196149699.db2.gz NBKQBZWWTDMKJL-GUDVDZBRSA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896468165 1196149702 /nfs/dbraw/zinc/14/97/02/1196149702.db2.gz NBKQBZWWTDMKJL-GUDVDZBRSA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896468165 1196149705 /nfs/dbraw/zinc/14/97/05/1196149705.db2.gz NBKQBZWWTDMKJL-GUDVDZBRSA-N 2 1 379.549 0.661 20 0 GCADMP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329135506 1196167108 /nfs/dbraw/zinc/16/71/08/1196167108.db2.gz GJTDAXBTPYVNAY-LJQANCHMSA-N 2 1 393.576 0.558 20 0 GCADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329135506 1196167111 /nfs/dbraw/zinc/16/71/11/1196167111.db2.gz GJTDAXBTPYVNAY-LJQANCHMSA-N 2 1 393.576 0.558 20 0 GCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000329140084 1196167980 /nfs/dbraw/zinc/16/79/80/1196167980.db2.gz JFFQGPQXSNTAKG-SFHVURJKSA-N 2 1 381.517 0.316 20 0 GCADMP C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[C@H](C)[N@@H+]1CCO ZINC000665461379 1196182024 /nfs/dbraw/zinc/18/20/24/1196182024.db2.gz MKKWWYMENJWUHV-CALCHBBNSA-N 2 1 382.549 0.974 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461500 1196187678 /nfs/dbraw/zinc/18/76/78/1196187678.db2.gz PAIMYLHQBNVFFA-DLBZAZTESA-N 2 1 382.549 0.974 20 0 GCADMP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000329427459 1196194974 /nfs/dbraw/zinc/19/49/74/1196194974.db2.gz JLDCMFCBLDZFFR-PKOBYXMFSA-N 2 1 375.517 0.984 20 0 GCADMP CC(C)[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329436533 1196195546 /nfs/dbraw/zinc/19/55/46/1196195546.db2.gz JIVDXDTUOXSQIV-SFHVURJKSA-N 2 1 380.533 0.642 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329436533 1196195549 /nfs/dbraw/zinc/19/55/49/1196195549.db2.gz JIVDXDTUOXSQIV-SFHVURJKSA-N 2 1 380.533 0.642 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000444176085 1196357389 /nfs/dbraw/zinc/35/73/89/1196357389.db2.gz NKORYHJTPAPOBQ-WIYYLYMNSA-N 2 1 386.496 0.963 20 0 GCADMP COc1nc(N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000896914724 1196368534 /nfs/dbraw/zinc/36/85/34/1196368534.db2.gz QFRXVHBVSODDMO-IQGAEYHTSA-N 2 1 387.532 0.656 20 0 GCADMP CCN(CCOCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000665594324 1196385130 /nfs/dbraw/zinc/38/51/30/1196385130.db2.gz YEYYSYBQABDWRD-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CCN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000665594324 1196385133 /nfs/dbraw/zinc/38/51/33/1196385133.db2.gz YEYYSYBQABDWRD-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CCN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000665594324 1196385137 /nfs/dbraw/zinc/38/51/37/1196385137.db2.gz YEYYSYBQABDWRD-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282009093 1196473930 /nfs/dbraw/zinc/47/39/30/1196473930.db2.gz NUZSVRYLDUXTJM-UHFFFAOYSA-N 2 1 375.517 0.829 20 0 GCADMP COc1cncc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000282014325 1196483896 /nfs/dbraw/zinc/48/38/96/1196483896.db2.gz WCUBZHRPALBNCY-UHFFFAOYSA-N 2 1 391.497 0.976 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000523509920 1196529558 /nfs/dbraw/zinc/52/95/58/1196529558.db2.gz BUYQBHQSNYYHGU-QGZVFWFLSA-N 2 1 383.537 0.150 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135646 1196577380 /nfs/dbraw/zinc/57/73/80/1196577380.db2.gz MNLITQVWEHAVKL-CEXWTWQISA-N 2 1 381.565 0.907 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135646 1196577369 /nfs/dbraw/zinc/57/73/69/1196577369.db2.gz MNLITQVWEHAVKL-CEXWTWQISA-N 2 1 381.565 0.907 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135646 1196577374 /nfs/dbraw/zinc/57/73/74/1196577374.db2.gz MNLITQVWEHAVKL-CEXWTWQISA-N 2 1 381.565 0.907 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135648 1196577608 /nfs/dbraw/zinc/57/76/08/1196577608.db2.gz MNLITQVWEHAVKL-OTWHNJEPSA-N 2 1 381.565 0.907 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135648 1196577610 /nfs/dbraw/zinc/57/76/10/1196577610.db2.gz MNLITQVWEHAVKL-OTWHNJEPSA-N 2 1 381.565 0.907 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135648 1196577611 /nfs/dbraw/zinc/57/76/11/1196577611.db2.gz MNLITQVWEHAVKL-OTWHNJEPSA-N 2 1 381.565 0.907 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000446034709 1196609003 /nfs/dbraw/zinc/60/90/03/1196609003.db2.gz FCAYHFSTYNBTGE-UHFFFAOYSA-N 2 1 376.501 0.644 20 0 GCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000446237066 1196627189 /nfs/dbraw/zinc/62/71/89/1196627189.db2.gz NXBUSBVYZMIHSS-UHFFFAOYSA-N 2 1 378.473 0.404 20 0 GCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc1 ZINC000446237066 1196627192 /nfs/dbraw/zinc/62/71/92/1196627192.db2.gz NXBUSBVYZMIHSS-UHFFFAOYSA-N 2 1 378.473 0.404 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110596 1196653550 /nfs/dbraw/zinc/65/35/50/1196653550.db2.gz FKCJOKHHPLVUKW-GJZGRUSLSA-N 2 1 395.470 0.623 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2OC)C1 ZINC000525280697 1196662983 /nfs/dbraw/zinc/66/29/83/1196662983.db2.gz USGOOVMZSQIIJH-OAHLLOKOSA-N 2 1 378.473 0.532 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)CC1 ZINC000525704389 1196702032 /nfs/dbraw/zinc/70/20/32/1196702032.db2.gz PIOURRRXRDTHAA-GASCZTMLSA-N 2 1 385.468 0.947 20 0 GCADMP CO[C@H](C[NH3+])CC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000447439875 1196722273 /nfs/dbraw/zinc/72/22/73/1196722273.db2.gz IZPWLNOTFSRPPP-IBGZPJMESA-N 2 1 390.528 0.837 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447907992 1196756099 /nfs/dbraw/zinc/75/60/99/1196756099.db2.gz UEZFDQXTXXPRJM-PMACEKPBSA-N 2 1 391.512 0.859 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447907992 1196756102 /nfs/dbraw/zinc/75/61/02/1196756102.db2.gz UEZFDQXTXXPRJM-PMACEKPBSA-N 2 1 391.512 0.859 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000527329619 1196780037 /nfs/dbraw/zinc/78/00/37/1196780037.db2.gz HFRYQLZTZYQFFB-UHFFFAOYSA-N 2 1 389.544 0.873 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000527331815 1196780591 /nfs/dbraw/zinc/78/05/91/1196780591.db2.gz NFRZELMENCWVAV-UHFFFAOYSA-N 2 1 378.473 0.534 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CCCOCC1 ZINC000527331815 1196780594 /nfs/dbraw/zinc/78/05/94/1196780594.db2.gz NFRZELMENCWVAV-UHFFFAOYSA-N 2 1 378.473 0.534 20 0 GCADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000448207973 1196780910 /nfs/dbraw/zinc/78/09/10/1196780910.db2.gz CMQWACCUPMFNOZ-INIZCTEOSA-N 2 1 376.505 0.724 20 0 GCADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000448207973 1196780915 /nfs/dbraw/zinc/78/09/15/1196780915.db2.gz CMQWACCUPMFNOZ-INIZCTEOSA-N 2 1 376.505 0.724 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000527773464 1196816818 /nfs/dbraw/zinc/81/68/18/1196816818.db2.gz RKUYYILQESRQQN-UHFFFAOYSA-N 2 1 395.548 0.435 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1(C)C ZINC000527905014 1196823390 /nfs/dbraw/zinc/82/33/90/1196823390.db2.gz FVFCUBGPAZMMTP-UHFFFAOYSA-N 2 1 381.565 0.909 20 0 GCADMP C[N@H+]1C[C@H](C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625315479 1196908962 /nfs/dbraw/zinc/90/89/62/1196908962.db2.gz ONPXJULWQGKLPJ-NJYVYQBISA-N 2 1 386.540 0.807 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)c1nnn(-c2cccc3c2CC[NH+](C)C3)c1C ZINC000371586600 1196910037 /nfs/dbraw/zinc/91/00/37/1196910037.db2.gz VZJLRZQWHSDIRQ-UHFFFAOYSA-N 2 1 386.500 0.872 20 0 GCADMP COCC[NH+](C)CCNC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000371586600 1196910039 /nfs/dbraw/zinc/91/00/39/1196910039.db2.gz VZJLRZQWHSDIRQ-UHFFFAOYSA-N 2 1 386.500 0.872 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)C1 ZINC000529305602 1196912828 /nfs/dbraw/zinc/91/28/28/1196912828.db2.gz IYKCZCDYGOHUGX-ZWKOTPCHSA-N 2 1 389.500 0.172 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000371663070 1196913634 /nfs/dbraw/zinc/91/36/34/1196913634.db2.gz FOFCZJWVYKFILD-PMACEKPBSA-N 2 1 394.608 0.680 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000371663070 1196913636 /nfs/dbraw/zinc/91/36/36/1196913636.db2.gz FOFCZJWVYKFILD-PMACEKPBSA-N 2 1 394.608 0.680 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000371663070 1196913639 /nfs/dbraw/zinc/91/36/39/1196913639.db2.gz FOFCZJWVYKFILD-PMACEKPBSA-N 2 1 394.608 0.680 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000451087838 1196969514 /nfs/dbraw/zinc/96/95/14/1196969514.db2.gz VLYHZZKTPWTFFJ-AHRSYUTCSA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000451087838 1196969518 /nfs/dbraw/zinc/96/95/18/1196969518.db2.gz VLYHZZKTPWTFFJ-AHRSYUTCSA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451087838 1196969521 /nfs/dbraw/zinc/96/95/21/1196969521.db2.gz VLYHZZKTPWTFFJ-AHRSYUTCSA-N 2 1 382.593 0.681 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2CCN(c3ccccn3)CC2)CC1 ZINC000530565385 1196996336 /nfs/dbraw/zinc/99/63/36/1196996336.db2.gz QMOMJSUOVRPDNK-UHFFFAOYSA-N 2 1 395.511 0.989 20 0 GCADMP C[NH+]1CCN(c2ncc(CNC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000531883387 1197102234 /nfs/dbraw/zinc/10/22/34/1197102234.db2.gz YAECXLUJYOQKAK-JOCHJYFZSA-N 2 1 396.539 0.955 20 0 GCADMP C[NH+]1CCN(c2ncc(CNC[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000531883387 1197102238 /nfs/dbraw/zinc/10/22/38/1197102238.db2.gz YAECXLUJYOQKAK-JOCHJYFZSA-N 2 1 396.539 0.955 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532170876 1197123236 /nfs/dbraw/zinc/12/32/36/1197123236.db2.gz KQHOHOMRAZTKMN-ZACQAIPSSA-N 2 1 381.521 0.269 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000532170876 1197123237 /nfs/dbraw/zinc/12/32/37/1197123237.db2.gz KQHOHOMRAZTKMN-ZACQAIPSSA-N 2 1 381.521 0.269 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713330 1197125375 /nfs/dbraw/zinc/12/53/75/1197125375.db2.gz UOJHELUOUDQNNB-MRXNPFEDSA-N 2 1 387.488 0.542 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532334100 1197145483 /nfs/dbraw/zinc/14/54/83/1197145483.db2.gz WBZXZXYZFXCNPS-PURYLZLUSA-N 2 1 378.517 0.201 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000532334100 1197145485 /nfs/dbraw/zinc/14/54/85/1197145485.db2.gz WBZXZXYZFXCNPS-PURYLZLUSA-N 2 1 378.517 0.201 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000532334100 1197145488 /nfs/dbraw/zinc/14/54/88/1197145488.db2.gz WBZXZXYZFXCNPS-PURYLZLUSA-N 2 1 378.517 0.201 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000172344317 1197159736 /nfs/dbraw/zinc/15/97/36/1197159736.db2.gz AAARSLLYRXPXBE-SJORKVTESA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)O1 ZINC000986325644 1197166640 /nfs/dbraw/zinc/16/66/40/1197166640.db2.gz ZBVUVVOJNITSLS-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@H]3C2)O1 ZINC000986325644 1197166643 /nfs/dbraw/zinc/16/66/43/1197166643.db2.gz ZBVUVVOJNITSLS-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453920051 1197172659 /nfs/dbraw/zinc/17/26/59/1197172659.db2.gz FNBMOQSKBPTFRZ-AZUAARDMSA-N 2 1 399.539 0.925 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000174213074 1197179742 /nfs/dbraw/zinc/17/97/42/1197179742.db2.gz PHWAUFQHDYKJHC-GUDVDZBRSA-N 2 1 392.544 0.500 20 0 GCADMP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000177497073 1197190260 /nfs/dbraw/zinc/19/02/60/1197190260.db2.gz VTCDYMHRNDEBBB-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000177497091 1197190426 /nfs/dbraw/zinc/19/04/26/1197190426.db2.gz VTCDYMHRNDEBBB-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CC(=O)N1CCN(C(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000177512071 1197190463 /nfs/dbraw/zinc/19/04/63/1197190463.db2.gz ZGOVDHMOKTZWRK-HDICACEKSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000186121631 1197226847 /nfs/dbraw/zinc/22/68/47/1197226847.db2.gz SSRVHSDLWLRGDE-SFHVURJKSA-N 2 1 381.565 0.766 20 0 GCADMP C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCC(=O)N1CC[NH2+]CC1 ZINC000508644947 1197236938 /nfs/dbraw/zinc/23/69/38/1197236938.db2.gz HYDOXJBJZXPXOQ-UHFFFAOYSA-N 2 1 383.514 0.613 20 0 GCADMP COCC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000532440907 1197297609 /nfs/dbraw/zinc/29/76/09/1197297609.db2.gz SXBPFRPXLYVBPY-UHFFFAOYSA-N 2 1 397.541 0.908 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000988301523 1197304074 /nfs/dbraw/zinc/30/40/74/1197304074.db2.gz FISCLDBTBOFGAY-VQHPVUNQSA-N 2 1 390.532 0.504 20 0 GCADMP CN1CCN(c2ncccc2CNC(=O)NCCN2CCOCC2(C)C)CC1 ZINC000171106026 1197312138 /nfs/dbraw/zinc/31/21/38/1197312138.db2.gz XMVNZNAUYZWSBY-UHFFFAOYSA-N 2 1 390.532 0.743 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000105323498 1197326417 /nfs/dbraw/zinc/32/64/17/1197326417.db2.gz RIXJFZBYJPEXRH-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]1CC[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000897442546 1197332057 /nfs/dbraw/zinc/33/20/57/1197332057.db2.gz XRKNTEVBUFMOKD-HKUYNNGSSA-N 2 1 389.544 0.917 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000520773688 1197333096 /nfs/dbraw/zinc/33/30/96/1197333096.db2.gz WMOWEDPGQDZMTE-GOSISDBHSA-N 2 1 375.517 0.244 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3C[NH+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922914 1197347056 /nfs/dbraw/zinc/34/70/56/1197347056.db2.gz DZMMBFZDWLEECZ-YZGWKJHDSA-N 2 1 393.576 0.906 20 0 GCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3C[N@@H+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922914 1197347057 /nfs/dbraw/zinc/34/70/57/1197347057.db2.gz DZMMBFZDWLEECZ-YZGWKJHDSA-N 2 1 393.576 0.906 20 0 GCADMP CC(C)[NH+]1CCO[C@@H](CN2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@H]3C)CC2)C1 ZINC000332922914 1197347060 /nfs/dbraw/zinc/34/70/60/1197347060.db2.gz DZMMBFZDWLEECZ-YZGWKJHDSA-N 2 1 393.576 0.906 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)ccn1 ZINC000359898958 1197379230 /nfs/dbraw/zinc/37/92/30/1197379230.db2.gz NOCYPYGGODRZEU-KRWDZBQOSA-N 2 1 389.500 0.576 20 0 GCADMP COc1cc(C[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684260 1197397431 /nfs/dbraw/zinc/39/74/31/1197397431.db2.gz NEBMZJOZGQIPPN-LSDHHAIUSA-N 2 1 379.457 0.521 20 0 GCADMP OC(C[NH+]1CCC[C@H](Cn2ccnn2)C1)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000194731668 1197399515 /nfs/dbraw/zinc/39/95/15/1197399515.db2.gz PSCFWVKWTJFNSP-ROUUACIJSA-N 2 1 388.520 0.355 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119862 1197411038 /nfs/dbraw/zinc/41/10/38/1197411038.db2.gz PPEVRAFJSLAZMT-JQHSSLGASA-N 2 1 382.549 0.744 20 0 GCADMP C[C@H](C[NH+]1CC[C@@H](CN2CCOCC2)C1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000532973459 1197424964 /nfs/dbraw/zinc/42/49/64/1197424964.db2.gz DMBYRGPANFGQMX-KOUNCHBCSA-N 2 1 394.604 0.931 20 0 GCADMP C[C@@H](C[NH+]1CC[C@H](CN2CCOCC2)C1)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000532973459 1197424966 /nfs/dbraw/zinc/42/49/66/1197424966.db2.gz DMBYRGPANFGQMX-KOUNCHBCSA-N 2 1 394.604 0.931 20 0 GCADMP C[C@@H](C[NH+]1CC[C@H](CN2CCOCC2)C1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000532973459 1197424968 /nfs/dbraw/zinc/42/49/68/1197424968.db2.gz DMBYRGPANFGQMX-KOUNCHBCSA-N 2 1 394.604 0.931 20 0 GCADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246163146 1197451128 /nfs/dbraw/zinc/45/11/28/1197451128.db2.gz ASXNIEAADGZREN-BRWVUGGUSA-N 2 1 394.560 0.933 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000246371409 1197466295 /nfs/dbraw/zinc/46/62/95/1197466295.db2.gz QHEUWLYIUUYCCV-DLBZAZTESA-N 2 1 377.537 0.959 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724284 1197512665 /nfs/dbraw/zinc/51/26/65/1197512665.db2.gz LYZWRHQUNZUXCK-SJORKVTESA-N 2 1 380.533 0.452 20 0 GCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261755918 1197513553 /nfs/dbraw/zinc/51/35/53/1197513553.db2.gz FPUCLEMEQGWPKY-ILXRZTDVSA-N 2 1 381.521 0.579 20 0 GCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000261820266 1197515602 /nfs/dbraw/zinc/51/56/02/1197515602.db2.gz KHDAKGPLMDOVSB-GVDBMIGSSA-N 2 1 386.562 0.238 20 0 GCADMP C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000262031277 1197523324 /nfs/dbraw/zinc/52/33/24/1197523324.db2.gz GYKIRRRWTDCLKU-ROUUACIJSA-N 2 1 379.549 0.121 20 0 GCADMP Cc1cccc(C)c1NC(=O)CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262078006 1197524490 /nfs/dbraw/zinc/52/44/90/1197524490.db2.gz KLIHSIZCWGZNLI-UHFFFAOYSA-N 2 1 387.528 0.681 20 0 GCADMP CCO[C@@H](C)c1noc(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000262235282 1197527297 /nfs/dbraw/zinc/52/72/97/1197527297.db2.gz VTFQNLURYSVHCX-HNNXBMFYSA-N 2 1 380.493 0.107 20 0 GCADMP Cc1ccc(-c2noc(CN3CC[NH+](CCC(=O)N4CC[NH2+]CC4)CC3)n2)cc1 ZINC000262276716 1197528095 /nfs/dbraw/zinc/52/80/95/1197528095.db2.gz YXOFUPKZLYSSGW-UHFFFAOYSA-N 2 1 398.511 0.985 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000988948295 1197539310 /nfs/dbraw/zinc/53/93/10/1197539310.db2.gz BCDXGGKCQCEJEY-KJWYOANISA-N 2 1 385.468 0.773 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000988948295 1197539312 /nfs/dbraw/zinc/53/93/12/1197539312.db2.gz BCDXGGKCQCEJEY-KJWYOANISA-N 2 1 385.468 0.773 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000672010979 1199002428 /nfs/dbraw/zinc/00/24/28/1199002428.db2.gz PTDNIILFCCCPOR-INIZCTEOSA-N 2 1 381.565 0.317 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000672010979 1199002433 /nfs/dbraw/zinc/00/24/33/1199002433.db2.gz PTDNIILFCCCPOR-INIZCTEOSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000671365677 1199056798 /nfs/dbraw/zinc/05/67/98/1199056798.db2.gz XVRLHTMCCOFQKZ-AEFFLSMTSA-N 3 1 381.565 0.460 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000671365677 1199056801 /nfs/dbraw/zinc/05/68/01/1199056801.db2.gz XVRLHTMCCOFQKZ-AEFFLSMTSA-N 3 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098390 1199089121 /nfs/dbraw/zinc/08/91/21/1199089121.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098390 1199089124 /nfs/dbraw/zinc/08/91/24/1199089124.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098390 1199089129 /nfs/dbraw/zinc/08/91/29/1199089129.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672098390 1199089131 /nfs/dbraw/zinc/08/91/31/1199089131.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672098390 1199089135 /nfs/dbraw/zinc/08/91/35/1199089135.db2.gz SAAYQESKPLMSLX-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672204343 1199159279 /nfs/dbraw/zinc/15/92/79/1199159279.db2.gz LPDQRVYMKYARFI-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672204343 1199159281 /nfs/dbraw/zinc/15/92/81/1199159281.db2.gz LPDQRVYMKYARFI-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204343 1199159284 /nfs/dbraw/zinc/15/92/84/1199159284.db2.gz LPDQRVYMKYARFI-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000672213517 1199161204 /nfs/dbraw/zinc/16/12/04/1199161204.db2.gz FNIHWWGEIMTRAL-OAQYLSRUSA-N 2 1 385.556 0.653 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000672213517 1199161207 /nfs/dbraw/zinc/16/12/07/1199161207.db2.gz FNIHWWGEIMTRAL-OAQYLSRUSA-N 2 1 385.556 0.653 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465921767 1199179706 /nfs/dbraw/zinc/17/97/06/1199179706.db2.gz AECDXLGCWFTROO-LJQANCHMSA-N 2 1 383.581 0.892 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)N[C@H]1CCOC1 ZINC000672285297 1199188469 /nfs/dbraw/zinc/18/84/69/1199188469.db2.gz CCFGKYZMEJXZGW-KRWDZBQOSA-N 2 1 380.533 0.546 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305374 1199197841 /nfs/dbraw/zinc/19/78/41/1199197841.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672305374 1199197844 /nfs/dbraw/zinc/19/78/44/1199197844.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672305374 1199197851 /nfs/dbraw/zinc/19/78/51/1199197851.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305374 1199197856 /nfs/dbraw/zinc/19/78/56/1199197856.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305374 1199197860 /nfs/dbraw/zinc/19/78/60/1199197860.db2.gz MIANWHXWXPFHDT-PKOBYXMFSA-N 2 1 391.560 0.214 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672306658 1199200276 /nfs/dbraw/zinc/20/02/76/1199200276.db2.gz SHECPUYYLLRTNU-BHIYHBOVSA-N 2 1 391.560 0.071 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672306659 1199200620 /nfs/dbraw/zinc/20/06/20/1199200620.db2.gz SHECPUYYLLRTNU-NEWSRXKRSA-N 2 1 391.560 0.071 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@H]2C1 ZINC000672313431 1199204970 /nfs/dbraw/zinc/20/49/70/1199204970.db2.gz BLBUMUIGBODMKI-IRXDYDNUSA-N 2 1 378.517 0.300 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330369 1199210214 /nfs/dbraw/zinc/21/02/14/1199210214.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 1 379.549 0.262 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C3CCCC3)C2)CC1 ZINC000672330369 1199210221 /nfs/dbraw/zinc/21/02/21/1199210221.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 1 379.549 0.262 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC[NH+](C)C3CCCC3)C2)CC1 ZINC000672330369 1199210223 /nfs/dbraw/zinc/21/02/23/1199210223.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 3 1 379.549 0.262 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000672330369 1199210226 /nfs/dbraw/zinc/21/02/26/1199210226.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 2 1 379.549 0.262 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000672330369 1199210229 /nfs/dbraw/zinc/21/02/29/1199210229.db2.gz YCPISBVXFUGVBU-MRXNPFEDSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672329683 1199210301 /nfs/dbraw/zinc/21/03/01/1199210301.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672329683 1199210304 /nfs/dbraw/zinc/21/03/04/1199210304.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672329683 1199210310 /nfs/dbraw/zinc/21/03/10/1199210310.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672329683 1199210317 /nfs/dbraw/zinc/21/03/17/1199210317.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672329683 1199210321 /nfs/dbraw/zinc/21/03/21/1199210321.db2.gz JQRIDMYHCQFNTJ-LJQANCHMSA-N 2 1 393.576 0.604 20 0 GCADMP COCC[NH+](CCOC)C1CCN(c2nc(N3CCOCC3)cc[nH+]2)CC1 ZINC000672330197 1199210401 /nfs/dbraw/zinc/21/04/01/1199210401.db2.gz LVOQMMPADLGFSE-UHFFFAOYSA-N 2 1 379.505 0.877 20 0 GCADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000672527506 1199258721 /nfs/dbraw/zinc/25/87/21/1199258721.db2.gz XBQKTHOAFVCOFO-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000672527506 1199258723 /nfs/dbraw/zinc/25/87/23/1199258723.db2.gz XBQKTHOAFVCOFO-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000672527506 1199258729 /nfs/dbraw/zinc/25/87/29/1199258729.db2.gz XBQKTHOAFVCOFO-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000672527506 1199258733 /nfs/dbraw/zinc/25/87/33/1199258733.db2.gz XBQKTHOAFVCOFO-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP Cn1nc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672548544 1199266966 /nfs/dbraw/zinc/26/69/66/1199266966.db2.gz PPCLPTRPWGRDAW-OAHLLOKOSA-N 2 1 398.511 0.474 20 0 GCADMP Cn1nc(CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672548544 1199266970 /nfs/dbraw/zinc/26/69/70/1199266970.db2.gz PPCLPTRPWGRDAW-OAHLLOKOSA-N 2 1 398.511 0.474 20 0 GCADMP Cn1nc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672548543 1199267005 /nfs/dbraw/zinc/26/70/05/1199267005.db2.gz PPCLPTRPWGRDAW-HNNXBMFYSA-N 2 1 398.511 0.474 20 0 GCADMP Cn1nc(CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c2ccccc21 ZINC000672548543 1199267006 /nfs/dbraw/zinc/26/70/06/1199267006.db2.gz PPCLPTRPWGRDAW-HNNXBMFYSA-N 2 1 398.511 0.474 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000672593668 1199276284 /nfs/dbraw/zinc/27/62/84/1199276284.db2.gz KBVIZTFXSCFCDT-AVEIZBFRSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000672593668 1199276288 /nfs/dbraw/zinc/27/62/88/1199276288.db2.gz KBVIZTFXSCFCDT-AVEIZBFRSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000672593668 1199276291 /nfs/dbraw/zinc/27/62/91/1199276291.db2.gz KBVIZTFXSCFCDT-AVEIZBFRSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000672593668 1199276295 /nfs/dbraw/zinc/27/62/95/1199276295.db2.gz KBVIZTFXSCFCDT-AVEIZBFRSA-N 2 1 380.533 0.686 20 0 GCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)C1 ZINC001002825211 1199281947 /nfs/dbraw/zinc/28/19/47/1199281947.db2.gz UFQSLVUZXWKAAA-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)C1 ZINC001002825211 1199281955 /nfs/dbraw/zinc/28/19/55/1199281955.db2.gz UFQSLVUZXWKAAA-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002830763 1199285628 /nfs/dbraw/zinc/28/56/28/1199285628.db2.gz RFNLQDIFAWPZGL-TVFCKZIOSA-N 2 1 378.517 0.299 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638153 1199292512 /nfs/dbraw/zinc/29/25/12/1199292512.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 2 1 391.560 0.356 20 0 GCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638153 1199292519 /nfs/dbraw/zinc/29/25/19/1199292519.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 2 1 391.560 0.356 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638153 1199292523 /nfs/dbraw/zinc/29/25/23/1199292523.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 2 1 391.560 0.356 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638153 1199292527 /nfs/dbraw/zinc/29/25/27/1199292527.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 2 1 391.560 0.356 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638153 1199292530 /nfs/dbraw/zinc/29/25/30/1199292530.db2.gz NBOWRNKHVOXNML-UHOSZYNNSA-N 2 1 391.560 0.356 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296452 /nfs/dbraw/zinc/29/64/52/1199296452.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296455 /nfs/dbraw/zinc/29/64/55/1199296455.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296458 /nfs/dbraw/zinc/29/64/58/1199296458.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296460 /nfs/dbraw/zinc/29/64/60/1199296460.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)C2)CC1 ZINC000672640266 1199296463 /nfs/dbraw/zinc/29/64/63/1199296463.db2.gz UZECEMJDZHUADM-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640634 1199297619 /nfs/dbraw/zinc/29/76/19/1199297619.db2.gz DYUADZDRMYOXQB-WMZOPIPTSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640634 1199297624 /nfs/dbraw/zinc/29/76/24/1199297624.db2.gz DYUADZDRMYOXQB-WMZOPIPTSA-N 2 1 393.576 0.460 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672641188 1199299273 /nfs/dbraw/zinc/29/92/73/1199299273.db2.gz MVUBACAVVBULLU-QGZVFWFLSA-N 2 1 379.549 0.260 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672641188 1199299276 /nfs/dbraw/zinc/29/92/76/1199299276.db2.gz MVUBACAVVBULLU-QGZVFWFLSA-N 2 1 379.549 0.260 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642563 1199300010 /nfs/dbraw/zinc/30/00/10/1199300010.db2.gz CQOQSDZSMXSPEP-IEBWSBKVSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642563 1199300014 /nfs/dbraw/zinc/30/00/14/1199300014.db2.gz CQOQSDZSMXSPEP-IEBWSBKVSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642566 1199301768 /nfs/dbraw/zinc/30/17/68/1199301768.db2.gz CQOQSDZSMXSPEP-PKOBYXMFSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642566 1199301776 /nfs/dbraw/zinc/30/17/76/1199301776.db2.gz CQOQSDZSMXSPEP-PKOBYXMFSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641892 1199302181 /nfs/dbraw/zinc/30/21/81/1199302181.db2.gz ZRWWMVBPXJEVTR-VQIMIIECSA-N 2 1 391.560 0.404 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642904 1199304958 /nfs/dbraw/zinc/30/49/58/1199304958.db2.gz JQTXBLXWQKMAIE-QZTJIDSGSA-N 2 1 393.576 0.652 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642904 1199304959 /nfs/dbraw/zinc/30/49/59/1199304959.db2.gz JQTXBLXWQKMAIE-QZTJIDSGSA-N 2 1 393.576 0.652 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643053 1199306515 /nfs/dbraw/zinc/30/65/15/1199306515.db2.gz NNLLWSQBRZWBBZ-PKOBYXMFSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643053 1199306517 /nfs/dbraw/zinc/30/65/17/1199306517.db2.gz NNLLWSQBRZWBBZ-PKOBYXMFSA-N 2 1 391.560 0.358 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000672648101 1199308557 /nfs/dbraw/zinc/30/85/57/1199308557.db2.gz XRGTUCWMSHWSCV-MHORFTMASA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000672648101 1199308564 /nfs/dbraw/zinc/30/85/64/1199308564.db2.gz XRGTUCWMSHWSCV-MHORFTMASA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000672648101 1199308570 /nfs/dbraw/zinc/30/85/70/1199308570.db2.gz XRGTUCWMSHWSCV-MHORFTMASA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000672648101 1199308574 /nfs/dbraw/zinc/30/85/74/1199308574.db2.gz XRGTUCWMSHWSCV-MHORFTMASA-N 2 1 398.548 0.075 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077551014 1199314283 /nfs/dbraw/zinc/31/42/83/1199314283.db2.gz RVBIVNGNJMBEIO-UHFFFAOYSA-N 2 1 381.565 0.766 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000672690348 1199316548 /nfs/dbraw/zinc/31/65/48/1199316548.db2.gz CJJXPXGDTCDJHS-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000672690348 1199316552 /nfs/dbraw/zinc/31/65/52/1199316552.db2.gz CJJXPXGDTCDJHS-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)ccn1 ZINC000672966793 1199379901 /nfs/dbraw/zinc/37/99/01/1199379901.db2.gz AREGDSCQDICKQD-INIZCTEOSA-N 2 1 375.473 0.656 20 0 GCADMP COc1cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccn1 ZINC000672966793 1199379907 /nfs/dbraw/zinc/37/99/07/1199379907.db2.gz AREGDSCQDICKQD-INIZCTEOSA-N 2 1 375.473 0.656 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224134 1199487941 /nfs/dbraw/zinc/48/79/41/1199487941.db2.gz KKTCWSOXNSGCMP-AEFFLSMTSA-N 2 1 395.592 0.706 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224134 1199487945 /nfs/dbraw/zinc/48/79/45/1199487945.db2.gz KKTCWSOXNSGCMP-AEFFLSMTSA-N 2 1 395.592 0.706 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000673275078 1199512224 /nfs/dbraw/zinc/51/22/24/1199512224.db2.gz IQLLQDYZELAAOH-MRXNPFEDSA-N 2 1 382.549 0.528 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000673275078 1199512226 /nfs/dbraw/zinc/51/22/26/1199512226.db2.gz IQLLQDYZELAAOH-MRXNPFEDSA-N 2 1 382.549 0.528 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000673269935 1199512886 /nfs/dbraw/zinc/51/28/86/1199512886.db2.gz VBZIRTXCKXGTLI-IBGZPJMESA-N 2 1 395.592 0.850 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CCCO1 ZINC000673428057 1199630347 /nfs/dbraw/zinc/63/03/47/1199630347.db2.gz UVMHMFFXZSCFPB-KRWDZBQOSA-N 2 1 394.516 0.787 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003749959 1199651302 /nfs/dbraw/zinc/65/13/02/1199651302.db2.gz WXBOADNKTWVGOD-BDXSIMOUSA-N 2 1 378.517 0.297 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003749959 1199651308 /nfs/dbraw/zinc/65/13/08/1199651308.db2.gz WXBOADNKTWVGOD-BDXSIMOUSA-N 2 1 378.517 0.297 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922350821 1199742281 /nfs/dbraw/zinc/74/22/81/1199742281.db2.gz KEVJTVCWYMNHNI-SFHVURJKSA-N 2 1 382.549 0.258 20 0 GCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000922347856 1199744189 /nfs/dbraw/zinc/74/41/89/1199744189.db2.gz ZRRGCBTWCVJOFC-ROUUACIJSA-N 2 1 375.517 0.667 20 0 GCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000922347856 1199744193 /nfs/dbraw/zinc/74/41/93/1199744193.db2.gz ZRRGCBTWCVJOFC-ROUUACIJSA-N 2 1 375.517 0.667 20 0 GCADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CC[NH+](C)C(C)(C)C1)C2 ZINC000922349408 1199745025 /nfs/dbraw/zinc/74/50/25/1199745025.db2.gz WASCIQDIQWONHN-WIRSXHRWSA-N 2 1 395.592 0.791 20 0 GCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C2 ZINC000922349408 1199745029 /nfs/dbraw/zinc/74/50/29/1199745029.db2.gz WASCIQDIQWONHN-WIRSXHRWSA-N 2 1 395.592 0.791 20 0 GCADMP CC(C)[C@@H]1[NH+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)C2 ZINC000922349408 1199745034 /nfs/dbraw/zinc/74/50/34/1199745034.db2.gz WASCIQDIQWONHN-WIRSXHRWSA-N 2 1 395.592 0.791 20 0 GCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248523 1199760301 /nfs/dbraw/zinc/76/03/01/1199760301.db2.gz LTEIUGGOAWNEFR-KSZLIROESA-N 2 1 380.533 0.498 20 0 GCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248523 1199760305 /nfs/dbraw/zinc/76/03/05/1199760305.db2.gz LTEIUGGOAWNEFR-KSZLIROESA-N 2 1 380.533 0.498 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)COCC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000153988175 1199782516 /nfs/dbraw/zinc/78/25/16/1199782516.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 2 1 382.549 0.600 20 0 GCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000153988175 1199782520 /nfs/dbraw/zinc/78/25/20/1199782520.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 2 1 382.549 0.600 20 0 GCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000153988175 1199782523 /nfs/dbraw/zinc/78/25/23/1199782523.db2.gz FPFFRWQSSRZXJN-HDICACEKSA-N 2 1 382.549 0.600 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583415 1199826660 /nfs/dbraw/zinc/82/66/60/1199826660.db2.gz LOMAHNQJFNBWRC-YSHGAJCASA-N 2 1 392.544 0.423 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673583050 1199829645 /nfs/dbraw/zinc/82/96/45/1199829645.db2.gz MQEGIBIGIFLKJA-KZNAEPCWSA-N 2 1 378.517 0.081 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673584584 1199831313 /nfs/dbraw/zinc/83/13/13/1199831313.db2.gz VXSIENVEOLMGFX-MSOLQXFVSA-N 2 1 391.516 0.534 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001004388014 1199873987 /nfs/dbraw/zinc/87/39/87/1199873987.db2.gz DHDJWSVDRPHPJZ-ZACQAIPSSA-N 2 1 376.501 0.053 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022750 1199892228 /nfs/dbraw/zinc/89/22/28/1199892228.db2.gz BCARWOAWJHPJNR-IRXDYDNUSA-N 2 1 390.532 0.648 20 0 GCADMP C[NH+](C)C1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C1 ZINC000273444746 1199912615 /nfs/dbraw/zinc/91/26/15/1199912615.db2.gz ZPWDPZVUKZMWSS-UHFFFAOYSA-N 2 1 395.529 0.791 20 0 GCADMP C[NH+](C)C1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C1 ZINC000273444746 1199912617 /nfs/dbraw/zinc/91/26/17/1199912617.db2.gz ZPWDPZVUKZMWSS-UHFFFAOYSA-N 2 1 395.529 0.791 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000625603981 1200080343 /nfs/dbraw/zinc/08/03/43/1200080343.db2.gz BORWXGUPTNXVFA-MSOLQXFVSA-N 2 1 392.544 0.642 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000625603984 1200081088 /nfs/dbraw/zinc/08/10/88/1200081088.db2.gz BORWXGUPTNXVFA-ZWKOTPCHSA-N 2 1 392.544 0.642 20 0 GCADMP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000171306342 1200206751 /nfs/dbraw/zinc/20/67/51/1200206751.db2.gz YEQPLMBNXNNISB-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)N[C@H](C)C3CC[NH+](C)CC3)C[C@H]2C)CC1 ZINC000674634323 1200288827 /nfs/dbraw/zinc/28/88/27/1200288827.db2.gz VSPDGKQBOFISEJ-GPMSIDNRSA-N 2 1 379.549 0.911 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)C[C@@H]2C)CC1 ZINC000674634330 1200288923 /nfs/dbraw/zinc/28/89/23/1200288923.db2.gz VSPDGKQBOFISEJ-TXPKVOOTSA-N 2 1 379.549 0.911 20 0 GCADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000674872031 1200328533 /nfs/dbraw/zinc/32/85/33/1200328533.db2.gz KMFZNMADGVAWJM-MRXNPFEDSA-N 2 1 379.505 0.940 20 0 GCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917970 1200468406 /nfs/dbraw/zinc/46/84/06/1200468406.db2.gz KLSOWUCYXVTCHC-OALUTQOASA-N 2 1 385.512 0.811 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917970 1200468411 /nfs/dbraw/zinc/46/84/11/1200468411.db2.gz KLSOWUCYXVTCHC-OALUTQOASA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675917970 1200468418 /nfs/dbraw/zinc/46/84/18/1200468418.db2.gz KLSOWUCYXVTCHC-OALUTQOASA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675917970 1200468420 /nfs/dbraw/zinc/46/84/20/1200468420.db2.gz KLSOWUCYXVTCHC-OALUTQOASA-N 2 1 385.512 0.811 20 0 GCADMP C[C@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676245042 1200514615 /nfs/dbraw/zinc/51/46/15/1200514615.db2.gz ZHCDYLVSOKAWIW-MAUKXSAKSA-N 2 1 391.516 0.496 20 0 GCADMP C[C@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245042 1200514623 /nfs/dbraw/zinc/51/46/23/1200514623.db2.gz ZHCDYLVSOKAWIW-MAUKXSAKSA-N 2 1 391.516 0.496 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676277604 1200527144 /nfs/dbraw/zinc/52/71/44/1200527144.db2.gz AOAHJWDAIWYYOJ-RHSMWYFYSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676277604 1200527146 /nfs/dbraw/zinc/52/71/46/1200527146.db2.gz AOAHJWDAIWYYOJ-RHSMWYFYSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676277603 1200527208 /nfs/dbraw/zinc/52/72/08/1200527208.db2.gz AOAHJWDAIWYYOJ-PBHICJAKSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676277603 1200527213 /nfs/dbraw/zinc/52/72/13/1200527213.db2.gz AOAHJWDAIWYYOJ-PBHICJAKSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676279820 1200530811 /nfs/dbraw/zinc/53/08/11/1200530811.db2.gz QPAYJZRYPNNUIY-MAUKXSAKSA-N 2 1 392.500 0.791 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279820 1200530817 /nfs/dbraw/zinc/53/08/17/1200530817.db2.gz QPAYJZRYPNNUIY-MAUKXSAKSA-N 2 1 392.500 0.791 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676303361 1200541287 /nfs/dbraw/zinc/54/12/87/1200541287.db2.gz AOVAPGPJIUBDKY-ILZDJORESA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000676303361 1200541294 /nfs/dbraw/zinc/54/12/94/1200541294.db2.gz AOVAPGPJIUBDKY-ILZDJORESA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000676303361 1200541300 /nfs/dbraw/zinc/54/13/00/1200541300.db2.gz AOVAPGPJIUBDKY-ILZDJORESA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000676303361 1200541307 /nfs/dbraw/zinc/54/13/07/1200541307.db2.gz AOVAPGPJIUBDKY-ILZDJORESA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676303362 1200541569 /nfs/dbraw/zinc/54/15/69/1200541569.db2.gz AOVAPGPJIUBDKY-QRFRQXIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676303362 1200541574 /nfs/dbraw/zinc/54/15/74/1200541574.db2.gz AOVAPGPJIUBDKY-QRFRQXIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303362 1200541577 /nfs/dbraw/zinc/54/15/77/1200541577.db2.gz AOVAPGPJIUBDKY-QRFRQXIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303362 1200541583 /nfs/dbraw/zinc/54/15/83/1200541583.db2.gz AOVAPGPJIUBDKY-QRFRQXIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365940571 1200654348 /nfs/dbraw/zinc/65/43/48/1200654348.db2.gz IXMPEOHKJZOSFG-HZPDHXFCSA-N 2 1 390.532 1.325 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)Cc1ccccc1 ZINC000375746506 1200660882 /nfs/dbraw/zinc/66/08/82/1200660882.db2.gz XIKKIRJHFBXKIK-UHFFFAOYSA-N 2 1 398.511 1.337 20 0 GCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508390 1200681442 /nfs/dbraw/zinc/68/14/42/1200681442.db2.gz SAUCPZWZYGMITF-SJLPKXTDSA-N 2 1 398.511 1.335 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000477030003 1200789288 /nfs/dbraw/zinc/78/92/88/1200789288.db2.gz UYENIWNXRGVVLJ-LPHOPBHVSA-N 2 1 390.528 0.716 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477101759 1200825853 /nfs/dbraw/zinc/82/58/53/1200825853.db2.gz RLDIUWRKKUAQJX-FJIDUMEYSA-N 2 1 382.549 0.933 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477101759 1200825862 /nfs/dbraw/zinc/82/58/62/1200825862.db2.gz RLDIUWRKKUAQJX-FJIDUMEYSA-N 2 1 382.549 0.933 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000509330651 1200851379 /nfs/dbraw/zinc/85/13/79/1200851379.db2.gz HNRLUIUAOJGFPI-SFHVURJKSA-N 2 1 397.564 0.539 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427274585 1200905133 /nfs/dbraw/zinc/90/51/33/1200905133.db2.gz JKRAYYQPCWEMEV-GJZGRUSLSA-N 2 1 376.505 1.029 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427274585 1200905137 /nfs/dbraw/zinc/90/51/37/1200905137.db2.gz JKRAYYQPCWEMEV-GJZGRUSLSA-N 2 1 376.505 1.029 20 0 GCADMP Cc1ccc(NCCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)[nH+]c1 ZINC000431945149 1200939436 /nfs/dbraw/zinc/93/94/36/1200939436.db2.gz DTTNCTIBJUHDPF-UHFFFAOYSA-N 2 1 390.532 1.483 20 0 GCADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923377004 1200972150 /nfs/dbraw/zinc/97/21/50/1200972150.db2.gz DVWGXLVREUJAMY-QRVBRYPASA-N 2 1 388.512 0.955 20 0 GCADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923376901 1200972418 /nfs/dbraw/zinc/97/24/18/1200972418.db2.gz DVWGXLVREUJAMY-CEXWTWQISA-N 2 1 388.512 0.955 20 0 GCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000923486771 1201036608 /nfs/dbraw/zinc/03/66/08/1201036608.db2.gz JRASOHMDHDWIHU-KRWDZBQOSA-N 2 1 394.541 0.331 20 0 GCADMP [NH3+]CC[C@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000923489527 1201044100 /nfs/dbraw/zinc/04/41/00/1201044100.db2.gz YKPOVAHSXPOUTM-INIZCTEOSA-N 2 1 383.514 0.757 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)O1 ZINC001079136750 1201247143 /nfs/dbraw/zinc/24/71/43/1201247143.db2.gz ANBKJPWPJUTXHE-VBSBHUPXSA-N 2 1 391.512 0.162 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)O1 ZINC001079136750 1201247146 /nfs/dbraw/zinc/24/71/46/1201247146.db2.gz ANBKJPWPJUTXHE-VBSBHUPXSA-N 2 1 391.512 0.162 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCCO)C[C@H]2O)O1 ZINC001079136750 1201247150 /nfs/dbraw/zinc/24/71/50/1201247150.db2.gz ANBKJPWPJUTXHE-VBSBHUPXSA-N 2 1 391.512 0.162 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCCO)C[C@H]2O)O1 ZINC001079136750 1201247153 /nfs/dbraw/zinc/24/71/53/1201247153.db2.gz ANBKJPWPJUTXHE-VBSBHUPXSA-N 2 1 391.512 0.162 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3C(=O)CNC3=O)C[C@H]2C)CC[N@H+]1C ZINC001079732972 1201256319 /nfs/dbraw/zinc/25/63/19/1201256319.db2.gz XJSMZAMZAZHVOE-QKPAOTATSA-N 2 1 379.505 0.095 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3C(=O)CNC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732972 1201256325 /nfs/dbraw/zinc/25/63/25/1201256325.db2.gz XJSMZAMZAZHVOE-QKPAOTATSA-N 2 1 379.505 0.095 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3C(=O)CNC3=O)C[C@H]2C)CC[NH+]1C ZINC001079732972 1201256328 /nfs/dbraw/zinc/25/63/28/1201256328.db2.gz XJSMZAMZAZHVOE-QKPAOTATSA-N 2 1 379.505 0.095 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950542 1201260413 /nfs/dbraw/zinc/26/04/13/1201260413.db2.gz YYQJZQDZYWHTRO-BCXHYRKLSA-N 2 1 386.500 0.624 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001079950542 1201260417 /nfs/dbraw/zinc/26/04/17/1201260417.db2.gz YYQJZQDZYWHTRO-BCXHYRKLSA-N 2 1 386.500 0.624 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001079950542 1201260424 /nfs/dbraw/zinc/26/04/24/1201260424.db2.gz YYQJZQDZYWHTRO-BCXHYRKLSA-N 2 1 386.500 0.624 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccc3c(c2)nnn3C)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001079950542 1201260429 /nfs/dbraw/zinc/26/04/29/1201260429.db2.gz YYQJZQDZYWHTRO-BCXHYRKLSA-N 2 1 386.500 0.624 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=S)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000727075607 1201332952 /nfs/dbraw/zinc/33/29/52/1201332952.db2.gz GZKBCFWYZSISNA-UHFFFAOYSA-N 2 1 383.606 0.935 20 0 GCADMP Cc1nnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@H]2C)[nH]1 ZINC001082518660 1201336281 /nfs/dbraw/zinc/33/62/81/1201336281.db2.gz XODMFSYHIFHPDF-QUIPCFFLSA-N 2 1 390.532 0.797 20 0 GCADMP C[C@H](CCN1CCC[C@H](N2CCNC2=O)C1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663804 1201367250 /nfs/dbraw/zinc/36/72/50/1201367250.db2.gz XKSIHNDSUQGBLO-SQNIBIBYSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000532663804 1201367257 /nfs/dbraw/zinc/36/72/57/1201367257.db2.gz XKSIHNDSUQGBLO-SQNIBIBYSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@H+]1CCC[C@H](N2CCNC2=O)C1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000532663804 1201367263 /nfs/dbraw/zinc/36/72/63/1201367263.db2.gz XKSIHNDSUQGBLO-SQNIBIBYSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)O1 ZINC001083119501 1201381053 /nfs/dbraw/zinc/38/10/53/1201381053.db2.gz XGRJKOJBENMPRN-QXCFHYIPSA-N 2 1 381.517 0.434 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCC4CCOCC4)C[C@@H]32)O1 ZINC001083119501 1201381064 /nfs/dbraw/zinc/38/10/64/1201381064.db2.gz XGRJKOJBENMPRN-QXCFHYIPSA-N 2 1 381.517 0.434 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCC4CCOCC4)C[C@@H]32)O1 ZINC001083119501 1201381074 /nfs/dbraw/zinc/38/10/74/1201381074.db2.gz XGRJKOJBENMPRN-QXCFHYIPSA-N 2 1 381.517 0.434 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCC4CCOCC4)C[C@@H]32)O1 ZINC001083119501 1201381085 /nfs/dbraw/zinc/38/10/85/1201381085.db2.gz XGRJKOJBENMPRN-QXCFHYIPSA-N 2 1 381.517 0.434 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000731008683 1201469877 /nfs/dbraw/zinc/46/98/77/1201469877.db2.gz MJIICHJIQYPTIQ-IBGZPJMESA-N 2 1 388.512 0.722 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000731008683 1201469886 /nfs/dbraw/zinc/46/98/86/1201469886.db2.gz MJIICHJIQYPTIQ-IBGZPJMESA-N 2 1 388.512 0.722 20 0 GCADMP C[C@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000175797418 1201482977 /nfs/dbraw/zinc/48/29/77/1201482977.db2.gz OYWADTMACXYZOB-GOSISDBHSA-N 2 1 381.565 0.624 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000731502085 1201485898 /nfs/dbraw/zinc/48/58/98/1201485898.db2.gz GJQWYYJNXWFQCU-IRXDYDNUSA-N 2 1 381.521 0.092 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCOCC4)[C@H]3C2)CC[N@@H+]1C ZINC001084944192 1201502340 /nfs/dbraw/zinc/50/23/40/1201502340.db2.gz ZGWWKLKYFZQJCN-RWQQGDIJSA-N 2 1 392.544 0.545 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)NC4CCOCC4)[C@H]3C2)CC[N@H+]1C ZINC001084944192 1201502345 /nfs/dbraw/zinc/50/23/45/1201502345.db2.gz ZGWWKLKYFZQJCN-RWQQGDIJSA-N 2 1 392.544 0.545 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)NC4CCOCC4)[C@H]3C2)CC[NH+]1C ZINC001084944192 1201502349 /nfs/dbraw/zinc/50/23/49/1201502349.db2.gz ZGWWKLKYFZQJCN-RWQQGDIJSA-N 2 1 392.544 0.545 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)NC4CCOCC4)[C@H]3C2)CC[NH+]1C ZINC001084944192 1201502352 /nfs/dbraw/zinc/50/23/52/1201502352.db2.gz ZGWWKLKYFZQJCN-RWQQGDIJSA-N 2 1 392.544 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CNC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084944804 1201502940 /nfs/dbraw/zinc/50/29/40/1201502940.db2.gz NVLPXPBOLIJHSS-TWMKSMIVSA-N 2 1 391.516 0.191 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4C(=O)CNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944804 1201502945 /nfs/dbraw/zinc/50/29/45/1201502945.db2.gz NVLPXPBOLIJHSS-TWMKSMIVSA-N 2 1 391.516 0.191 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4C(=O)CNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944804 1201502950 /nfs/dbraw/zinc/50/29/50/1201502950.db2.gz NVLPXPBOLIJHSS-TWMKSMIVSA-N 2 1 391.516 0.191 20 0 GCADMP CC[NH+]1CCCN(C(=O)COCCOCC(=O)N2CCC[N@H+](CC)CC2)CC1 ZINC000732096148 1201517991 /nfs/dbraw/zinc/51/79/91/1201517991.db2.gz XTABPHXVDVWAPR-UHFFFAOYSA-N 2 1 398.548 0.128 20 0 GCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001085243137 1201648151 /nfs/dbraw/zinc/64/81/51/1201648151.db2.gz WNTRTXSGRPKOFV-GFOCRRMGSA-N 2 1 378.521 0.843 20 0 GCADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001085243137 1201648156 /nfs/dbraw/zinc/64/81/56/1201648156.db2.gz WNTRTXSGRPKOFV-GFOCRRMGSA-N 2 1 378.521 0.843 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415837 1201778886 /nfs/dbraw/zinc/77/88/86/1201778886.db2.gz XSLGKMJNYHBLKO-SFHLNBCPSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415837 1201778892 /nfs/dbraw/zinc/77/88/92/1201778892.db2.gz XSLGKMJNYHBLKO-SFHLNBCPSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415837 1201778897 /nfs/dbraw/zinc/77/88/97/1201778897.db2.gz XSLGKMJNYHBLKO-SFHLNBCPSA-N 2 1 388.512 0.786 20 0 GCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001006287037 1201810252 /nfs/dbraw/zinc/81/02/52/1201810252.db2.gz NIEUSCGNZIHYON-TVFCKZIOSA-N 2 1 378.517 0.441 20 0 GCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001006287037 1201810256 /nfs/dbraw/zinc/81/02/56/1201810256.db2.gz NIEUSCGNZIHYON-TVFCKZIOSA-N 2 1 378.517 0.441 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000745830734 1201892152 /nfs/dbraw/zinc/89/21/52/1201892152.db2.gz PNXLVZGFRLSFMK-SJLPKXTDSA-N 2 1 395.548 0.516 20 0 GCADMP COc1ccc(CN2CC[C@H]([NH2+]CCC[NH+](CCO)CCO)CC2=O)cc1 ZINC001168890636 1201927908 /nfs/dbraw/zinc/92/79/08/1201927908.db2.gz BVXXXRYJWITEDP-SFHVURJKSA-N 2 1 379.501 0.453 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1cc(CC[NH3+])cn1 ZINC001168947141 1201929100 /nfs/dbraw/zinc/92/91/00/1201929100.db2.gz SLWOTNTYUQVYMI-OAHLLOKOSA-N 2 1 375.473 0.874 20 0 GCADMP COC(=O)[C@H](CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)CNC(C)=O ZINC001169125309 1201932871 /nfs/dbraw/zinc/93/28/71/1201932871.db2.gz YQWWUJMHCUIRSH-YVSFHVDLSA-N 2 1 382.505 0.165 20 0 GCADMP Cc1c[nH+]c(CC[NH3+])n1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169168005 1201934456 /nfs/dbraw/zinc/93/44/56/1201934456.db2.gz LSLKWEYDTUZCDM-ZDUSSCGKSA-N 2 1 387.488 0.871 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC001169170676 1201936949 /nfs/dbraw/zinc/93/69/49/1201936949.db2.gz ZXLSWYCLFCHRMP-HZPDHXFCSA-N 2 1 390.532 0.924 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389894 1201944896 /nfs/dbraw/zinc/94/48/96/1201944896.db2.gz UCVQSQVSMVVOLN-IEBWSBKVSA-N 2 1 391.512 0.921 20 0 GCADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767693046 1201983082 /nfs/dbraw/zinc/98/30/82/1201983082.db2.gz XUNFSXWFOASOOS-QZTJIDSGSA-N 2 1 384.590 0.941 20 0 GCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CNC1=O ZINC001109418070 1202041377 /nfs/dbraw/zinc/04/13/77/1202041377.db2.gz WPURLDMVRYHEQH-FZKCQIBNSA-N 2 1 377.489 0.134 20 0 GCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O ZINC001109418070 1202041379 /nfs/dbraw/zinc/04/13/79/1202041379.db2.gz WPURLDMVRYHEQH-FZKCQIBNSA-N 2 1 377.489 0.134 20 0 GCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O ZINC001109418070 1202041385 /nfs/dbraw/zinc/04/13/85/1202041385.db2.gz WPURLDMVRYHEQH-FZKCQIBNSA-N 2 1 377.489 0.134 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCCNC1=O ZINC001109449334 1202051611 /nfs/dbraw/zinc/05/16/11/1202051611.db2.gz PFVJRQOXKMBHBV-QZWWFDLISA-N 2 1 378.517 0.345 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCCNC1=O ZINC001109449334 1202051614 /nfs/dbraw/zinc/05/16/14/1202051614.db2.gz PFVJRQOXKMBHBV-QZWWFDLISA-N 2 1 378.517 0.345 20 0 GCADMP CN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C3)C1=O ZINC001109447618 1202053224 /nfs/dbraw/zinc/05/32/24/1202053224.db2.gz WZRHSAGPCJHXTK-QZWWFDLISA-N 2 1 378.517 0.297 20 0 GCADMP CN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C3)C1=O ZINC001109447618 1202053228 /nfs/dbraw/zinc/05/32/28/1202053228.db2.gz WZRHSAGPCJHXTK-QZWWFDLISA-N 2 1 378.517 0.297 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cccn1 ZINC001109447446 1202053485 /nfs/dbraw/zinc/05/34/85/1202053485.db2.gz MXAARYKVXWLEFC-SQNIBIBYSA-N 2 1 375.517 0.963 20 0 GCADMP CC[N@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001109462263 1202056266 /nfs/dbraw/zinc/05/62/66/1202056266.db2.gz HQFXOWNRKWORLK-YVSFHVDLSA-N 2 1 382.549 0.979 20 0 GCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001109462263 1202056268 /nfs/dbraw/zinc/05/62/68/1202056268.db2.gz HQFXOWNRKWORLK-YVSFHVDLSA-N 2 1 382.549 0.979 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001109462263 1202056269 /nfs/dbraw/zinc/05/62/69/1202056269.db2.gz HQFXOWNRKWORLK-YVSFHVDLSA-N 2 1 382.549 0.979 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001109462263 1202056272 /nfs/dbraw/zinc/05/62/72/1202056272.db2.gz HQFXOWNRKWORLK-YVSFHVDLSA-N 2 1 382.549 0.979 20 0 GCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1C(=O)CNC1=O ZINC001109464290 1202056925 /nfs/dbraw/zinc/05/69/25/1202056925.db2.gz UQZNMUARIVQQSJ-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001109464290 1202056927 /nfs/dbraw/zinc/05/69/27/1202056927.db2.gz UQZNMUARIVQQSJ-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001109464290 1202056929 /nfs/dbraw/zinc/05/69/29/1202056929.db2.gz UQZNMUARIVQQSJ-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP COC(=O)CC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000769506834 1202060000 /nfs/dbraw/zinc/06/00/00/1202060000.db2.gz XAVZLWFMNBAZNP-UHFFFAOYSA-N 2 1 377.489 0.773 20 0 GCADMP COC(=O)CC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000769506834 1202060004 /nfs/dbraw/zinc/06/00/04/1202060004.db2.gz XAVZLWFMNBAZNP-UHFFFAOYSA-N 2 1 377.489 0.773 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770580938 1202104359 /nfs/dbraw/zinc/10/43/59/1202104359.db2.gz DKUDDLJKBVJLFQ-MJGOQNOKSA-N 2 1 381.565 0.955 20 0 GCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCNC(C)=O)[NH+](CC)CC ZINC001109714211 1202109820 /nfs/dbraw/zinc/10/98/20/1202109820.db2.gz BTDZMIVQQKRTNP-HCXYKTFWSA-N 2 1 382.549 0.981 20 0 GCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728939 1202113130 /nfs/dbraw/zinc/11/31/30/1202113130.db2.gz KOAMPGABSNVIAH-OWSLCNJRSA-N 2 1 377.533 0.943 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728939 1202113133 /nfs/dbraw/zinc/11/31/33/1202113133.db2.gz KOAMPGABSNVIAH-OWSLCNJRSA-N 2 1 377.533 0.943 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)Cn1cccn1)CC(C)(C)C ZINC001109728939 1202113135 /nfs/dbraw/zinc/11/31/35/1202113135.db2.gz KOAMPGABSNVIAH-OWSLCNJRSA-N 2 1 377.533 0.943 20 0 GCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C2 ZINC001109822372 1202130890 /nfs/dbraw/zinc/13/08/90/1202130890.db2.gz LGYPIXWMPPIKQA-SQNIBIBYSA-N 2 1 379.505 0.443 20 0 GCADMP Cn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)cn1 ZINC001109898798 1202145693 /nfs/dbraw/zinc/14/56/93/1202145693.db2.gz DGUNTXFEMCHZBN-NEWSRXKRSA-N 2 1 375.517 0.795 20 0 GCADMP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771766103 1202161748 /nfs/dbraw/zinc/16/17/48/1202161748.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766103 1202161749 /nfs/dbraw/zinc/16/17/49/1202161749.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766103 1202161753 /nfs/dbraw/zinc/16/17/53/1202161753.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766103 1202161756 /nfs/dbraw/zinc/16/17/56/1202161756.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766103 1202161758 /nfs/dbraw/zinc/16/17/58/1202161758.db2.gz QIZGTJPNXMXJRI-IPMKNSEASA-N 2 1 379.549 0.660 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NC[C@@H]1COCC[NH2+]1 ZINC001170034262 1202164451 /nfs/dbraw/zinc/16/44/51/1202164451.db2.gz ALUABNCTKOLLIJ-GDBMZVCRSA-N 2 1 380.489 0.588 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)Cc1ccccc1 ZINC001109977280 1202165231 /nfs/dbraw/zinc/16/52/31/1202165231.db2.gz BTVZGZUCELLKMV-ZRNYENFQSA-N 2 1 375.513 0.890 20 0 GCADMP CC(C)CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980148 1202165896 /nfs/dbraw/zinc/16/58/96/1202165896.db2.gz KDMAEVBPAWHIAA-MHORFTMASA-N 2 1 382.549 0.837 20 0 GCADMP CC(C)CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980148 1202165897 /nfs/dbraw/zinc/16/58/97/1202165897.db2.gz KDMAEVBPAWHIAA-MHORFTMASA-N 2 1 382.549 0.837 20 0 GCADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979954 1202165914 /nfs/dbraw/zinc/16/59/14/1202165914.db2.gz GOHZGKGUORHPFJ-YVSFHVDLSA-N 2 1 382.549 0.979 20 0 GCADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979954 1202165915 /nfs/dbraw/zinc/16/59/15/1202165915.db2.gz GOHZGKGUORHPFJ-YVSFHVDLSA-N 2 1 382.549 0.979 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982406 1202168374 /nfs/dbraw/zinc/16/83/74/1202168374.db2.gz BJVXVKHJSBOXPJ-NCOADZHNSA-N 2 1 378.517 0.345 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982406 1202168377 /nfs/dbraw/zinc/16/83/77/1202168377.db2.gz BJVXVKHJSBOXPJ-NCOADZHNSA-N 2 1 378.517 0.345 20 0 GCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110013730 1202174759 /nfs/dbraw/zinc/17/47/59/1202174759.db2.gz YOWJJMNFDSLKKO-FZKCQIBNSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110013730 1202174761 /nfs/dbraw/zinc/17/47/61/1202174761.db2.gz YOWJJMNFDSLKKO-FZKCQIBNSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110013730 1202174765 /nfs/dbraw/zinc/17/47/65/1202174765.db2.gz YOWJJMNFDSLKKO-FZKCQIBNSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NCC ZINC001110013730 1202174768 /nfs/dbraw/zinc/17/47/68/1202174768.db2.gz YOWJJMNFDSLKKO-FZKCQIBNSA-N 2 1 381.521 0.674 20 0 GCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOCC ZINC001110021888 1202175866 /nfs/dbraw/zinc/17/58/66/1202175866.db2.gz MAHKTIKINIDFAE-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOCC ZINC001110021888 1202175867 /nfs/dbraw/zinc/17/58/67/1202175867.db2.gz MAHKTIKINIDFAE-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOCC ZINC001110021888 1202175872 /nfs/dbraw/zinc/17/58/72/1202175872.db2.gz MAHKTIKINIDFAE-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOCC ZINC001110021888 1202175873 /nfs/dbraw/zinc/17/58/73/1202175873.db2.gz MAHKTIKINIDFAE-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787703829 1205399459 /nfs/dbraw/zinc/39/94/59/1205399459.db2.gz DNTTXIDMBZXCHZ-MHORFTMASA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787703829 1205399462 /nfs/dbraw/zinc/39/94/62/1205399462.db2.gz DNTTXIDMBZXCHZ-MHORFTMASA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787703829 1205399466 /nfs/dbraw/zinc/39/94/66/1205399466.db2.gz DNTTXIDMBZXCHZ-MHORFTMASA-N 2 1 380.533 0.450 20 0 GCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000787893987 1205405197 /nfs/dbraw/zinc/40/51/97/1205405197.db2.gz HJINEBFJJOGUQA-MSOLQXFVSA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2=O ZINC000772829450 1205496739 /nfs/dbraw/zinc/49/67/39/1205496739.db2.gz SFESYJLPUWJLHB-RDJZCZTQSA-N 2 1 375.517 0.909 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793721075 1205503541 /nfs/dbraw/zinc/50/35/41/1205503541.db2.gz SNQXAFAYBFBPSS-DLBZAZTESA-N 2 1 380.533 0.689 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738021 1205505536 /nfs/dbraw/zinc/50/55/36/1205505536.db2.gz MUHOHKUMWCNXQU-QGZVFWFLSA-N 2 1 393.576 0.650 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738021 1205505537 /nfs/dbraw/zinc/50/55/37/1205505537.db2.gz MUHOHKUMWCNXQU-QGZVFWFLSA-N 2 1 393.576 0.650 20 0 GCADMP C[NH+]1CC[C@@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5CC[N@H+](C)C[C@@H]5C4)CCC3)C[C@@H]2C1 ZINC000793940946 1205510613 /nfs/dbraw/zinc/51/06/13/1205510613.db2.gz VDYBEHHHAVXRLS-SEXKYXSUSA-N 2 1 388.556 0.977 20 0 GCADMP C[NH+]1CC[C@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5C[N@@H+](C)CC[C@@H]5C4)CCC3)C[C@H]2C1 ZINC000793940946 1205510616 /nfs/dbraw/zinc/51/06/16/1205510616.db2.gz VDYBEHHHAVXRLS-SEXKYXSUSA-N 2 1 388.556 0.977 20 0 GCADMP C[NH+]1CC[C@H]2CN(C(=O)C3(C(=O)N4C[C@@H]5C[N@H+](C)CC[C@@H]5C4)CCC3)C[C@H]2C1 ZINC000793940946 1205510617 /nfs/dbraw/zinc/51/06/17/1205510617.db2.gz VDYBEHHHAVXRLS-SEXKYXSUSA-N 2 1 388.556 0.977 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC001110101811 1205512017 /nfs/dbraw/zinc/51/20/17/1205512017.db2.gz GRAFTAOVKOUWBP-NEPXVJNWSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COC1CCOCC1 ZINC001110101811 1205512020 /nfs/dbraw/zinc/51/20/20/1205512020.db2.gz GRAFTAOVKOUWBP-NEPXVJNWSA-N 2 1 381.517 0.360 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOCC(F)F)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129856039 1205521223 /nfs/dbraw/zinc/52/12/23/1205521223.db2.gz VTIXLZLUPLMEEA-TUVASFSCSA-N 2 1 386.447 0.242 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC(C)C)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129858063 1205521335 /nfs/dbraw/zinc/52/13/35/1205521335.db2.gz NHEIPUZZXGADAK-MLHJIOFPSA-N 2 1 378.521 0.775 20 0 GCADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912607 1205522813 /nfs/dbraw/zinc/52/28/13/1205522813.db2.gz RCGXOXXQJCWDKI-OZZPGMFRSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912607 1205522814 /nfs/dbraw/zinc/52/28/14/1205522814.db2.gz RCGXOXXQJCWDKI-OZZPGMFRSA-N 2 1 376.505 0.695 20 0 GCADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912724 1205522838 /nfs/dbraw/zinc/52/28/38/1205522838.db2.gz XJAUVFSMXGMKCI-ZJPYXAASSA-N 2 1 378.521 0.775 20 0 GCADMP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912724 1205522841 /nfs/dbraw/zinc/52/28/41/1205522841.db2.gz XJAUVFSMXGMKCI-ZJPYXAASSA-N 2 1 378.521 0.775 20 0 GCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[nH]1 ZINC001130212910 1205537066 /nfs/dbraw/zinc/53/70/66/1205537066.db2.gz KJTKHCICAZPMLI-WCVJEAGWSA-N 2 1 378.521 0.879 20 0 GCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001130212910 1205537067 /nfs/dbraw/zinc/53/70/67/1205537067.db2.gz KJTKHCICAZPMLI-WCVJEAGWSA-N 2 1 378.521 0.879 20 0 GCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001130212910 1205537069 /nfs/dbraw/zinc/53/70/69/1205537069.db2.gz KJTKHCICAZPMLI-WCVJEAGWSA-N 2 1 378.521 0.879 20 0 GCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001130212910 1205537070 /nfs/dbraw/zinc/53/70/70/1205537070.db2.gz KJTKHCICAZPMLI-WCVJEAGWSA-N 2 1 378.521 0.879 20 0 GCADMP CC(C)C[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001130212910 1205537071 /nfs/dbraw/zinc/53/70/71/1205537071.db2.gz KJTKHCICAZPMLI-WCVJEAGWSA-N 2 1 378.521 0.879 20 0 GCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615302 1205555609 /nfs/dbraw/zinc/55/56/09/1205555609.db2.gz PMHQYSLGZJYLQK-UKBAYJJMSA-N 2 1 393.532 0.450 20 0 GCADMP CCOCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615302 1205555610 /nfs/dbraw/zinc/55/56/10/1205555610.db2.gz PMHQYSLGZJYLQK-UKBAYJJMSA-N 2 1 393.532 0.450 20 0 GCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615496 1205555865 /nfs/dbraw/zinc/55/58/65/1205555865.db2.gz SFASROHTKPKHGR-UKBAYJJMSA-N 2 1 375.517 0.989 20 0 GCADMP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615496 1205555868 /nfs/dbraw/zinc/55/58/68/1205555868.db2.gz SFASROHTKPKHGR-UKBAYJJMSA-N 2 1 375.517 0.989 20 0 GCADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000806505210 1205558044 /nfs/dbraw/zinc/55/80/44/1205558044.db2.gz VZBDXEBXRNUIMX-SQNIBIBYSA-N 2 1 379.549 0.214 20 0 GCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994345 1205585030 /nfs/dbraw/zinc/58/50/30/1205585030.db2.gz VEDIEMTWJYYGNB-QBPKDAKJSA-N 2 1 390.532 0.123 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cn1 ZINC000747558238 1205623401 /nfs/dbraw/zinc/62/34/01/1205623401.db2.gz SQINVUVDURBQSU-LJQANCHMSA-N 2 1 386.500 0.985 20 0 GCADMP COC(=O)CC[C@]1(C)NC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761752 1205657274 /nfs/dbraw/zinc/65/72/74/1205657274.db2.gz UEGGCFJIZWYNDM-KXBFYZLASA-N 2 1 380.489 0.871 20 0 GCADMP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761751 1205657307 /nfs/dbraw/zinc/65/73/07/1205657307.db2.gz UEGGCFJIZWYNDM-HNAYVOBHSA-N 2 1 380.489 0.871 20 0 GCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)S(C)(=O)=O)cn1 ZINC001172119679 1205713263 /nfs/dbraw/zinc/71/32/63/1205713263.db2.gz YUKNNNRYODQCIF-XCDZQEORSA-N 2 1 395.573 0.970 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176915 1205714032 /nfs/dbraw/zinc/71/40/32/1205714032.db2.gz ZHJOMAMJNFVYDE-BRSBDYLESA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176915 1205714033 /nfs/dbraw/zinc/71/40/33/1205714033.db2.gz ZHJOMAMJNFVYDE-BRSBDYLESA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176915 1205714034 /nfs/dbraw/zinc/71/40/34/1205714034.db2.gz ZHJOMAMJNFVYDE-BRSBDYLESA-N 2 1 378.517 0.251 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001172257886 1205715029 /nfs/dbraw/zinc/71/50/29/1205715029.db2.gz RLDILHGGYYMCNM-SFHVURJKSA-N 2 1 380.533 0.356 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H](C(=O)N(C)C)C3(CN(C(C)=O)C3)C2)CC1 ZINC001172257886 1205715032 /nfs/dbraw/zinc/71/50/32/1205715032.db2.gz RLDILHGGYYMCNM-SFHVURJKSA-N 2 1 380.533 0.356 20 0 GCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251042 1205715258 /nfs/dbraw/zinc/71/52/58/1205715258.db2.gz LEVHZSBTKLMKKC-AZUAARDMSA-N 2 1 383.533 0.873 20 0 GCADMP CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251042 1205715260 /nfs/dbraw/zinc/71/52/60/1205715260.db2.gz LEVHZSBTKLMKKC-AZUAARDMSA-N 2 1 383.533 0.873 20 0 GCADMP COC(=O)[C@@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612627 1205716324 /nfs/dbraw/zinc/71/63/24/1205716324.db2.gz COSAHIPPEQPJLT-ZJPYXAASSA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612627 1205716326 /nfs/dbraw/zinc/71/63/26/1205716326.db2.gz COSAHIPPEQPJLT-ZJPYXAASSA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612627 1205716327 /nfs/dbraw/zinc/71/63/27/1205716327.db2.gz COSAHIPPEQPJLT-ZJPYXAASSA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])NC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC001172886053 1205717716 /nfs/dbraw/zinc/71/77/16/1205717716.db2.gz JGXKYSYZWRSGHR-AWEZNQCLSA-N 2 1 385.509 0.187 20 0 GCADMP CC[N@H+]1CC[C@H](N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352989 1205719587 /nfs/dbraw/zinc/71/95/87/1205719587.db2.gz CCDIXSWRGDXSHJ-VIUKOLAESA-N 3 1 386.581 0.850 20 0 GCADMP CC[N@H+]1CC[C@H](N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352988 1205719792 /nfs/dbraw/zinc/71/97/92/1205719792.db2.gz CCDIXSWRGDXSHJ-KOUJMVCDSA-N 3 1 386.581 0.850 20 0 GCADMP O=C(CN1CCC([NH2+]CCC[NH+](CCO)CCO)CC1)OCc1ccccc1 ZINC001173457916 1205721165 /nfs/dbraw/zinc/72/11/65/1205721165.db2.gz HSNXMLHWNOIXQM-UHFFFAOYSA-N 2 1 393.528 0.461 20 0 GCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517938 1205723117 /nfs/dbraw/zinc/72/31/17/1205723117.db2.gz TYNZUQWKCIVMJK-OALUTQOASA-N 2 1 388.512 0.799 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173755946 1205727549 /nfs/dbraw/zinc/72/75/49/1205727549.db2.gz XEBJLZQKGYTGBD-KGLIPLIRSA-N 2 1 388.476 0.495 20 0 GCADMP O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)[C@@H]1CCc2nccn2C1 ZINC001178121986 1205783049 /nfs/dbraw/zinc/78/30/49/1205783049.db2.gz OFUYEIIISNVRQI-CQSZACIVSA-N 2 1 389.481 0.392 20 0 GCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)CN3CC[NH+](C)CC3)CC2)CC1 ZINC001178949737 1205797408 /nfs/dbraw/zinc/79/74/08/1205797408.db2.gz UPTPUZHMLJTQRS-UHFFFAOYSA-N 2 1 380.533 0.500 20 0 GCADMP C[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179150129 1205803937 /nfs/dbraw/zinc/80/39/37/1205803937.db2.gz JWHBCQKEVUEDCN-HNNXBMFYSA-N 2 1 384.521 0.765 20 0 GCADMP C[NH2+][C@@H](C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1)c1cnn(C)c1 ZINC000262338560 1205806662 /nfs/dbraw/zinc/80/66/62/1205806662.db2.gz HQXHEIJZQHMADP-GOSISDBHSA-N 2 1 375.473 0.946 20 0 GCADMP CC[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC001180011560 1205816980 /nfs/dbraw/zinc/81/69/80/1205816980.db2.gz OXHTUTRRJSTWRK-IRXDYDNUSA-N 2 1 388.578 0.690 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C[N@@H+](C)C1CCCC1)CC2 ZINC001180626839 1205827760 /nfs/dbraw/zinc/82/77/60/1205827760.db2.gz WFGVDOQTIFUHDW-UHFFFAOYSA-N 2 1 377.489 0.725 20 0 GCADMP C[N@@H+](CCNC(=O)CC[NH+]1CCC(C(N)=O)CC1)CCNC(=O)OC(C)(C)C ZINC001180612430 1205828741 /nfs/dbraw/zinc/82/87/41/1205828741.db2.gz DPNKLYBXRGCGSF-UHFFFAOYSA-N 2 1 399.536 0.147 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000774470825 1205873970 /nfs/dbraw/zinc/87/39/70/1205873970.db2.gz PKYALCHMJGCGSQ-UHFFFAOYSA-N 2 1 394.560 0.986 20 0 GCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001182838701 1205881311 /nfs/dbraw/zinc/88/13/11/1205881311.db2.gz UFZWZMXDQYFDDJ-KRWDZBQOSA-N 2 1 379.549 0.166 20 0 GCADMP COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774727466 1205906395 /nfs/dbraw/zinc/90/63/95/1205906395.db2.gz WGABRADUUWEGBG-JXAWBTAJSA-N 2 1 398.573 0.924 20 0 GCADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)C1 ZINC001185227710 1205918041 /nfs/dbraw/zinc/91/80/41/1205918041.db2.gz XSNRGSHXARQMJT-OALUTQOASA-N 2 1 385.512 0.896 20 0 GCADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)C1 ZINC001185227710 1205918042 /nfs/dbraw/zinc/91/80/42/1205918042.db2.gz XSNRGSHXARQMJT-OALUTQOASA-N 2 1 385.512 0.896 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCN2C)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252691 1205919301 /nfs/dbraw/zinc/91/93/01/1205919301.db2.gz TZHSUKJTIHQMJE-ABSDTBQOSA-N 2 1 388.516 0.275 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCN2C)[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252691 1205919304 /nfs/dbraw/zinc/91/93/04/1205919304.db2.gz TZHSUKJTIHQMJE-ABSDTBQOSA-N 2 1 388.516 0.275 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000774853034 1205921042 /nfs/dbraw/zinc/92/10/42/1205921042.db2.gz GILADBXISDJWCS-SOUVJXGZSA-N 2 1 380.514 0.446 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925725 1205928673 /nfs/dbraw/zinc/92/86/73/1205928673.db2.gz VPMHOBPXWPIVRX-FHWLQOOXSA-N 2 1 388.512 0.255 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)C1 ZINC001186107854 1205935264 /nfs/dbraw/zinc/93/52/64/1205935264.db2.gz YGPBAGTZFSPFFZ-INIZCTEOSA-N 2 1 394.516 0.027 20 0 GCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc([O-])c(F)c1)CC2 ZINC001186218153 1205936943 /nfs/dbraw/zinc/93/69/43/1205936943.db2.gz FVLDBTABYARWRX-UHFFFAOYSA-N 2 1 392.475 0.842 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839852 1205948974 /nfs/dbraw/zinc/94/89/74/1205948974.db2.gz MEZGFWBPYIGPLT-CVEARBPZSA-N 2 1 384.521 0.548 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCCC[C@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839852 1205948976 /nfs/dbraw/zinc/94/89/76/1205948976.db2.gz MEZGFWBPYIGPLT-CVEARBPZSA-N 2 1 384.521 0.548 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850053 1205949112 /nfs/dbraw/zinc/94/91/12/1205949112.db2.gz UKHVCIKJUALUOZ-HUUCEWRRSA-N 2 1 382.505 0.694 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCCC[C@@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850053 1205949113 /nfs/dbraw/zinc/94/91/13/1205949113.db2.gz UKHVCIKJUALUOZ-HUUCEWRRSA-N 2 1 382.505 0.694 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)O1 ZINC001188323302 1205979425 /nfs/dbraw/zinc/97/94/25/1205979425.db2.gz UWNYMTDHCRJLTR-FCGDIQPGSA-N 2 1 390.532 0.700 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3C[NH+](CCCCCn4cncn4)C[C@H]32)O1 ZINC001188323302 1205979426 /nfs/dbraw/zinc/97/94/26/1205979426.db2.gz UWNYMTDHCRJLTR-FCGDIQPGSA-N 2 1 390.532 0.700 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCCCn4cncn4)C[C@H]32)O1 ZINC001188323302 1205979429 /nfs/dbraw/zinc/97/94/29/1205979429.db2.gz UWNYMTDHCRJLTR-FCGDIQPGSA-N 2 1 390.532 0.700 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCCCCn4cncn4)C[C@H]32)O1 ZINC001188323302 1205979430 /nfs/dbraw/zinc/97/94/30/1205979430.db2.gz UWNYMTDHCRJLTR-FCGDIQPGSA-N 2 1 390.532 0.700 20 0 GCADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417034 1206014643 /nfs/dbraw/zinc/01/46/43/1206014643.db2.gz GVWVGOBQBGKAIS-LVQVYYBASA-N 2 1 381.521 0.136 20 0 GCADMP CN1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417034 1206014646 /nfs/dbraw/zinc/01/46/46/1206014646.db2.gz GVWVGOBQBGKAIS-LVQVYYBASA-N 2 1 381.521 0.136 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nccc(N3CCC([NH3+])CC3)n1)CC2 ZINC001164686583 719731032 /nfs/dbraw/zinc/73/10/32/719731032.db2.gz PRMIXUZBUMKRBS-UHFFFAOYSA-N 2 1 387.532 0.585 20 0 GCADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164686583 719731043 /nfs/dbraw/zinc/73/10/43/719731043.db2.gz PRMIXUZBUMKRBS-UHFFFAOYSA-N 3 1 387.532 0.585 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(N3CCC([NH3+])CC3)cc[nH+]1)CC2 ZINC001164686583 719731049 /nfs/dbraw/zinc/73/10/49/719731049.db2.gz PRMIXUZBUMKRBS-UHFFFAOYSA-N 3 1 387.532 0.585 20 0 GCADMP Cn1nnc2c1CCN(c1ncnc3c1C[NH2+]C3)[C@H]2COCC[NH+]1CCCC1 ZINC001164715906 720174887 /nfs/dbraw/zinc/17/48/87/720174887.db2.gz DHUKLUZZRZWAGX-KRWDZBQOSA-N 2 1 384.488 0.425 20 0 GCADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740388 720730578 /nfs/dbraw/zinc/73/05/78/720730578.db2.gz KMELXUMVFLZXPS-IRXDYDNUSA-N 2 1 396.499 0.536 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745810 720769086 /nfs/dbraw/zinc/76/90/86/720769086.db2.gz VWPROYGSYWMZFD-NVXWUHKLSA-N 2 1 397.483 0.739 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164852965 720877911 /nfs/dbraw/zinc/87/79/11/720877911.db2.gz ASPCPRNNMMXKFY-AEFFLSMTSA-N 2 1 391.516 0.781 20 0 GCADMP COCC[N@@H+]1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1 ZINC001164859301 720883135 /nfs/dbraw/zinc/88/31/35/720883135.db2.gz MNPDBRMYIDFOKN-MSOLQXFVSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1 ZINC001164859301 720883137 /nfs/dbraw/zinc/88/31/37/720883137.db2.gz MNPDBRMYIDFOKN-MSOLQXFVSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@@H+]1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1 ZINC001164859305 720883278 /nfs/dbraw/zinc/88/32/78/720883278.db2.gz MNPDBRMYIDFOKN-ROUUACIJSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1 ZINC001164859305 720883279 /nfs/dbraw/zinc/88/32/79/720883279.db2.gz MNPDBRMYIDFOKN-ROUUACIJSA-N 2 1 390.532 0.402 20 0 GCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164866028 721061187 /nfs/dbraw/zinc/06/11/87/721061187.db2.gz BTIRVDXVJCWRKN-MOPGFXCFSA-N 2 1 395.511 0.761 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264726 945491050 /nfs/dbraw/zinc/49/10/50/945491050.db2.gz VCUGJNFLBXBTLP-SJORKVTESA-N 2 1 385.472 0.135 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189489 945648634 /nfs/dbraw/zinc/64/86/34/945648634.db2.gz MWZAOXTVYJUNBH-DLBZAZTESA-N 2 1 387.488 0.826 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189489 945648644 /nfs/dbraw/zinc/64/86/44/945648644.db2.gz MWZAOXTVYJUNBH-DLBZAZTESA-N 2 1 387.488 0.826 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574957498 949619643 /nfs/dbraw/zinc/61/96/43/949619643.db2.gz ZHIIKSFYPFLUPP-YWPYICTPSA-N 2 1 375.452 0.940 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192113 950227317 /nfs/dbraw/zinc/22/73/17/950227317.db2.gz JUJAXDLPWJGWQT-ZBFHGGJFSA-N 2 1 387.488 0.117 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205173 950496253 /nfs/dbraw/zinc/49/62/53/950496253.db2.gz VWFHYVIAKZEALZ-YJYMSZOUSA-N 2 1 384.488 0.722 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205708 950533304 /nfs/dbraw/zinc/53/33/04/950533304.db2.gz NEIBGUDUJAISQB-CQSZACIVSA-N 2 1 384.488 0.724 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208365 950609964 /nfs/dbraw/zinc/60/99/64/950609964.db2.gz OOUJLSGQWGPPSL-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208941 950622226 /nfs/dbraw/zinc/62/22/26/950622226.db2.gz VNCWAGJRFJPRKY-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576213521 950632081 /nfs/dbraw/zinc/63/20/81/950632081.db2.gz BPGHEDZCSPEGRO-RBSFLKMASA-N 2 1 384.488 0.865 20 0 GCADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574772514 950969066 /nfs/dbraw/zinc/96/90/66/950969066.db2.gz SZYJTFUISYMVKA-CHWSQXEVSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574772514 950969081 /nfs/dbraw/zinc/96/90/81/950969081.db2.gz SZYJTFUISYMVKA-CHWSQXEVSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574772514 950969094 /nfs/dbraw/zinc/96/90/94/950969094.db2.gz SZYJTFUISYMVKA-CHWSQXEVSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089035 951746517 /nfs/dbraw/zinc/74/65/17/951746517.db2.gz CQLJCVLRRSEHKI-LRDDRELGSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089035 951746525 /nfs/dbraw/zinc/74/65/25/951746525.db2.gz CQLJCVLRRSEHKI-LRDDRELGSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575091651 951780884 /nfs/dbraw/zinc/78/08/84/951780884.db2.gz TZOPZJJBLXDMNE-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101243 951855357 /nfs/dbraw/zinc/85/53/57/951855357.db2.gz BGJCAJYCHCHWEL-GXTWGEPZSA-N 2 1 375.452 0.799 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120199 952500858 /nfs/dbraw/zinc/50/08/58/952500858.db2.gz JFBTZYVWKCRCBL-OTTFEQOBSA-N 2 1 375.502 0.864 20 0 GCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571189978 952937461 /nfs/dbraw/zinc/93/74/61/952937461.db2.gz BKIPBNNGRUBBHF-QGZVFWFLSA-N 2 1 381.484 0.995 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189975 952937551 /nfs/dbraw/zinc/93/75/51/952937551.db2.gz BHQXYTDUUAJHDM-XYJFISCASA-N 2 1 381.484 0.851 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189975 952937553 /nfs/dbraw/zinc/93/75/53/952937553.db2.gz BHQXYTDUUAJHDM-XYJFISCASA-N 2 1 381.484 0.851 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189975 952937559 /nfs/dbraw/zinc/93/75/59/952937559.db2.gz BHQXYTDUUAJHDM-XYJFISCASA-N 2 1 381.484 0.851 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571190847 952944024 /nfs/dbraw/zinc/94/40/24/952944024.db2.gz NJDNWIDYDPBIQV-QGZVFWFLSA-N 2 1 381.484 0.995 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571190847 952944028 /nfs/dbraw/zinc/94/40/28/952944028.db2.gz NJDNWIDYDPBIQV-QGZVFWFLSA-N 2 1 381.484 0.995 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571190847 952944035 /nfs/dbraw/zinc/94/40/35/952944035.db2.gz NJDNWIDYDPBIQV-QGZVFWFLSA-N 2 1 381.484 0.995 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192790 952949024 /nfs/dbraw/zinc/94/90/24/952949024.db2.gz VXOYSUHTYXWBJU-KZNAEPCWSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192790 952949027 /nfs/dbraw/zinc/94/90/27/952949027.db2.gz VXOYSUHTYXWBJU-KZNAEPCWSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192790 952949032 /nfs/dbraw/zinc/94/90/32/952949032.db2.gz VXOYSUHTYXWBJU-KZNAEPCWSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001571211758 953080523 /nfs/dbraw/zinc/08/05/23/953080523.db2.gz FGKCMISOGALTJK-KCXAZCMYSA-N 2 1 382.472 0.687 20 0 GCADMP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217654 953110366 /nfs/dbraw/zinc/11/03/66/953110366.db2.gz GXTDNAMKTFWFOV-RHSMWYFYSA-N 2 1 382.472 0.927 20 0 GCADMP O=C([C@H]1CCC[C@@H]2CCC[N@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217654 953110367 /nfs/dbraw/zinc/11/03/67/953110367.db2.gz GXTDNAMKTFWFOV-RHSMWYFYSA-N 2 1 382.472 0.927 20 0 GCADMP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001571219085 953122714 /nfs/dbraw/zinc/12/27/14/953122714.db2.gz UVRQSYXMSWYPHL-QDEZUTFSSA-N 2 1 382.472 0.760 20 0 GCADMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252723 953331485 /nfs/dbraw/zinc/33/14/85/953331485.db2.gz UZUUWFPXDHZZIL-XJKSGUPXSA-N 2 1 384.488 0.935 20 0 GCADMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252723 953331488 /nfs/dbraw/zinc/33/14/88/953331488.db2.gz UZUUWFPXDHZZIL-XJKSGUPXSA-N 2 1 384.488 0.935 20 0 GCADMP Cc1cc(NC2CC(N(C)C(=O)[C@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252745 953333046 /nfs/dbraw/zinc/33/30/46/953333046.db2.gz VPLINCAGYFJCPW-MQBCKMQZSA-N 2 1 384.488 0.878 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](Nc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571252857 953333353 /nfs/dbraw/zinc/33/33/53/953333353.db2.gz XGCYADSGPSXGTG-JKIFEVAISA-N 2 1 384.488 0.735 20 0 GCADMP Cc1cc(N(C)C[C@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252908 953333582 /nfs/dbraw/zinc/33/35/82/953333582.db2.gz YRZKQGMSLMKYMT-GDBMZVCRSA-N 2 1 384.488 0.949 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874417828 956205792 /nfs/dbraw/zinc/20/57/92/956205792.db2.gz RQIOWXKFUFCOOK-QGZVFWFLSA-N 2 1 383.537 0.593 20 0 GCADMP CN1CCN(C(=O)CC[N@H+](C)CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000275246412 530309036 /nfs/dbraw/zinc/30/90/36/530309036.db2.gz OFVWHNHIVQVDBA-UHFFFAOYSA-N 2 1 398.305 0.879 20 0 GCADMP O=c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)nc2ccc(Br)cn12 ZINC000326310930 530575789 /nfs/dbraw/zinc/57/57/89/530575789.db2.gz LHLBQHWSJUOHAY-OAHLLOKOSA-N 2 1 392.301 0.937 20 0 GCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000508968172 530915503 /nfs/dbraw/zinc/91/55/03/530915503.db2.gz VILRMFIVIKHNDH-IYBDPMFKSA-N 2 1 377.551 0.468 20 0 GCADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCS(=O)(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000508968171 530915655 /nfs/dbraw/zinc/91/56/55/530915655.db2.gz VILRMFIVIKHNDH-HZPDHXFCSA-N 2 1 377.551 0.468 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000419033871 530952480 /nfs/dbraw/zinc/95/24/80/530952480.db2.gz LXUFTTICNMGROH-UHFFFAOYSA-N 2 1 378.489 0.565 20 0 GCADMP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000419084035 530953306 /nfs/dbraw/zinc/95/33/06/530953306.db2.gz SMXCBDLEYFCUFU-UHFFFAOYSA-N 2 1 397.317 0.865 20 0 GCADMP [NH3+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000419166116 530956108 /nfs/dbraw/zinc/95/61/08/530956108.db2.gz OKUHHDGZPOGJAH-UHFFFAOYSA-N 2 1 383.290 0.605 20 0 GCADMP CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435615891 531141654 /nfs/dbraw/zinc/14/16/54/531141654.db2.gz IWKQGPHCYGTNJH-MRXNPFEDSA-N 2 1 376.567 0.627 20 0 GCADMP CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@@H]1CCC[NH2+]CC1 ZINC000435615891 531141657 /nfs/dbraw/zinc/14/16/57/531141657.db2.gz IWKQGPHCYGTNJH-MRXNPFEDSA-N 2 1 376.567 0.627 20 0 GCADMP C[NH+](C)C1CN(S(=O)(=O)c2cccc(S(=O)(=O)[N-]c3c[nH]cn3)c2)C1 ZINC000565231415 531182066 /nfs/dbraw/zinc/18/20/66/531182066.db2.gz NCKLGJPTAUUPHK-UHFFFAOYSA-N 2 1 385.471 0.145 20 0 GCADMP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000822850782 599691341 /nfs/dbraw/zinc/69/13/41/599691341.db2.gz QESWFPSKAXVDPM-SFHVURJKSA-N 2 1 399.499 0.970 20 0 GCADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824301387 609498695 /nfs/dbraw/zinc/49/86/95/609498695.db2.gz WVOPBDWRLOIOBB-AWEZNQCLSA-N 2 1 388.432 0.413 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824301387 609498698 /nfs/dbraw/zinc/49/86/98/609498698.db2.gz WVOPBDWRLOIOBB-AWEZNQCLSA-N 2 1 388.432 0.413 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(Br)cc1=O ZINC000869236795 641419881 /nfs/dbraw/zinc/41/98/81/641419881.db2.gz JHLYQXHAPCDVAM-ZDUSSCGKSA-N 2 1 387.322 0.999 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1ccc(Br)cc1=O ZINC000869236795 641419885 /nfs/dbraw/zinc/41/98/85/641419885.db2.gz JHLYQXHAPCDVAM-ZDUSSCGKSA-N 2 1 387.322 0.999 20 0 GCADMP CC[NH+]1CCC(NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000047980290 1192166193 /nfs/dbraw/zinc/16/61/93/1192166193.db2.gz YDNRWDMUYLNKLC-UHFFFAOYSA-N 2 1 375.521 0.772 20 0 GCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000893494588 1192166630 /nfs/dbraw/zinc/16/66/30/1192166630.db2.gz PMMSPNUJRFPWSY-IRXDYDNUSA-N 2 1 379.549 0.959 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000500437434 1192177574 /nfs/dbraw/zinc/17/75/74/1192177574.db2.gz VPOOJTSRFQEEDE-IAGOWNOFSA-N 2 1 382.549 0.840 20 0 GCADMP O=C(c1cc([C@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017168 1192185827 /nfs/dbraw/zinc/18/58/27/1192185827.db2.gz IRNKGYGXBPPQMU-GJZGRUSLSA-N 2 1 398.515 0.639 20 0 GCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345961 1192197656 /nfs/dbraw/zinc/19/76/56/1192197656.db2.gz PZPOTCAKMHQINV-CPUCHLNUSA-N 2 1 396.513 0.491 20 0 GCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345962 1192197805 /nfs/dbraw/zinc/19/78/05/1192197805.db2.gz PZPOTCAKMHQINV-JJRVBVJISA-N 2 1 396.513 0.491 20 0 GCADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652347101 1192197950 /nfs/dbraw/zinc/19/79/50/1192197950.db2.gz RQTZVDGWJKUTQL-HDMKZQKVSA-N 2 1 383.514 0.931 20 0 GCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351571 1192202337 /nfs/dbraw/zinc/20/23/37/1192202337.db2.gz HOCHKNDEUXKNTR-MVWRLGRASA-N 2 1 394.541 0.961 20 0 GCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351571 1192202341 /nfs/dbraw/zinc/20/23/41/1192202341.db2.gz HOCHKNDEUXKNTR-MVWRLGRASA-N 2 1 394.541 0.961 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1 ZINC000462070580 1192213363 /nfs/dbraw/zinc/21/33/63/1192213363.db2.gz KWLAZQMMVODYRR-UHFFFAOYSA-N 2 1 377.489 0.943 20 0 GCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000605951523 1192268738 /nfs/dbraw/zinc/26/87/38/1192268738.db2.gz QKBYLEXXVHMCAC-KRWDZBQOSA-N 2 1 381.565 0.813 20 0 GCADMP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290271 1192278080 /nfs/dbraw/zinc/27/80/80/1192278080.db2.gz ONMSDURWKPXZNT-OAHLLOKOSA-N 2 1 380.514 0.984 20 0 GCADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CN(CC[NH3+])C[C@H](O)CO)CC2)cc1 ZINC000662287799 1192278175 /nfs/dbraw/zinc/27/81/75/1192278175.db2.gz JUMLWEZFWLOONS-FQEVSTJZSA-N 2 1 392.544 0.068 20 0 GCADMP C[C@@H]1CC[N@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000662311933 1192281798 /nfs/dbraw/zinc/28/17/98/1192281798.db2.gz CJURSMUKFDZBLL-ZBFHGGJFSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H](C[NH3+])C1 ZINC000662311933 1192281802 /nfs/dbraw/zinc/28/18/02/1192281802.db2.gz CJURSMUKFDZBLL-ZBFHGGJFSA-N 2 1 382.530 0.442 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000162576052 1192297985 /nfs/dbraw/zinc/29/79/85/1192297985.db2.gz SKICPJRIYNHECZ-GOSISDBHSA-N 2 1 379.549 0.214 20 0 GCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000662452884 1192298726 /nfs/dbraw/zinc/29/87/26/1192298726.db2.gz XXZXWCAEIWOTHU-MRXNPFEDSA-N 2 1 388.516 0.503 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)CC2)oc1C ZINC000636773029 1192303245 /nfs/dbraw/zinc/30/32/45/1192303245.db2.gz PPMBZWIKUBWAPA-QGZVFWFLSA-N 2 1 379.505 0.869 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)oc1C ZINC000636773029 1192303248 /nfs/dbraw/zinc/30/32/48/1192303248.db2.gz PPMBZWIKUBWAPA-QGZVFWFLSA-N 2 1 379.505 0.869 20 0 GCADMP O=C(CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662706580 1192329422 /nfs/dbraw/zinc/32/94/22/1192329422.db2.gz AFYFTHKIGJGHPA-SFHVURJKSA-N 2 1 398.429 0.989 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663451227 1192342825 /nfs/dbraw/zinc/34/28/25/1192342825.db2.gz APPVWUFGZWUFHC-SFHVURJKSA-N 2 1 375.517 0.922 20 0 GCADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085157 1192381852 /nfs/dbraw/zinc/38/18/52/1192381852.db2.gz ALXJJPGSJURECX-QZTJIDSGSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085157 1192381858 /nfs/dbraw/zinc/38/18/58/1192381858.db2.gz ALXJJPGSJURECX-QZTJIDSGSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000637085157 1192381861 /nfs/dbraw/zinc/38/18/61/1192381861.db2.gz ALXJJPGSJURECX-QZTJIDSGSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000637085157 1192381865 /nfs/dbraw/zinc/38/18/65/1192381865.db2.gz ALXJJPGSJURECX-QZTJIDSGSA-N 2 1 378.542 0.970 20 0 GCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663562301 1192391062 /nfs/dbraw/zinc/39/10/62/1192391062.db2.gz YULPGQPDXAYSCE-MOPGFXCFSA-N 2 1 381.565 0.811 20 0 GCADMP CCO[C@@H]1CN(C(=O)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C[C@H]1C[NH3+] ZINC000652668280 1192392871 /nfs/dbraw/zinc/39/28/71/1192392871.db2.gz VHEDBULIIYRDNL-GVDBMIGSSA-N 2 1 382.549 0.825 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000247419346 1192409044 /nfs/dbraw/zinc/40/90/44/1192409044.db2.gz NVHQRIGDVSYAAN-MHORFTMASA-N 2 1 382.549 0.600 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000247419346 1192409050 /nfs/dbraw/zinc/40/90/50/1192409050.db2.gz NVHQRIGDVSYAAN-MHORFTMASA-N 2 1 382.549 0.600 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)COCC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000247419346 1192409054 /nfs/dbraw/zinc/40/90/54/1192409054.db2.gz NVHQRIGDVSYAAN-MHORFTMASA-N 2 1 382.549 0.600 20 0 GCADMP O=C(CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278958460 1192422232 /nfs/dbraw/zinc/42/22/32/1192422232.db2.gz HWFKNNSEWBZKED-KRWDZBQOSA-N 2 1 396.495 0.561 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652673310 1192429451 /nfs/dbraw/zinc/42/94/51/1192429451.db2.gz KUZWIADWCUDSLE-HVMFNXBNSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652673311 1192429990 /nfs/dbraw/zinc/42/99/90/1192429990.db2.gz KUZWIADWCUDSLE-ICBNADEASA-N 2 1 394.560 0.968 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000981642278 1192458587 /nfs/dbraw/zinc/45/85/87/1192458587.db2.gz ZFYIHMHRRGVXRL-XMTFNYHQSA-N 2 1 392.544 0.735 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000981642278 1192458591 /nfs/dbraw/zinc/45/85/91/1192458591.db2.gz ZFYIHMHRRGVXRL-XMTFNYHQSA-N 2 1 392.544 0.735 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000652677377 1192466812 /nfs/dbraw/zinc/46/68/12/1192466812.db2.gz ZUNCILLBCLQYAI-SFHVURJKSA-N 2 1 382.549 0.746 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(N3CCC(C)(O)CC3)ncn2)CC1 ZINC000663722759 1192515438 /nfs/dbraw/zinc/51/54/38/1192515438.db2.gz LNSGADZGJRAGPJ-INIZCTEOSA-N 2 1 388.516 0.571 20 0 GCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1)Cc1ccccc1 ZINC000432534540 1192539138 /nfs/dbraw/zinc/53/91/38/1192539138.db2.gz LAZMDVXTHGOQIZ-RBUKOAKNSA-N 2 1 388.512 0.196 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccn1 ZINC000512284431 1192599290 /nfs/dbraw/zinc/59/92/90/1192599290.db2.gz YNFACGGYWUMINN-MRXNPFEDSA-N 2 1 377.489 0.339 20 0 GCADMP COCC1(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618933 1192619582 /nfs/dbraw/zinc/61/95/82/1192619582.db2.gz BAWMAFRSFYGKET-RTBURBONSA-N 2 1 390.528 0.937 20 0 GCADMP COC[C@@]1(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418646889 1192623513 /nfs/dbraw/zinc/62/35/13/1192623513.db2.gz XKPGNBJJHSBEPP-PMACEKPBSA-N 2 1 376.501 0.691 20 0 GCADMP COC[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CCC[NH2+]1 ZINC000418657602 1192624824 /nfs/dbraw/zinc/62/48/24/1192624824.db2.gz RIEBKKCUQXSRIH-SFHLNBCPSA-N 2 1 390.528 0.937 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418754829 1192639523 /nfs/dbraw/zinc/63/95/23/1192639523.db2.gz FGQYRJSPQGKVJH-QYZOEREBSA-N 2 1 376.501 0.547 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418760245 1192641202 /nfs/dbraw/zinc/64/12/02/1192641202.db2.gz JWWAQSPSVOHEEH-OTWHNJEPSA-N 2 1 375.517 0.072 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418782006 1192643955 /nfs/dbraw/zinc/64/39/55/1192643955.db2.gz DDHHFBONZSJDOU-XQYHGENGSA-N 2 1 377.533 0.779 20 0 GCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418823558 1192656307 /nfs/dbraw/zinc/65/63/07/1192656307.db2.gz CCUXOENPBVWFEQ-QGZVFWFLSA-N 2 1 380.533 0.725 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418829405 1192658967 /nfs/dbraw/zinc/65/89/67/1192658967.db2.gz ITMPZRLNOPFGAH-OKZBNKHCSA-N 2 1 392.544 0.642 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H]1C[NH3+] ZINC000418830750 1192659364 /nfs/dbraw/zinc/65/93/64/1192659364.db2.gz JZGVWEZLXDCFKG-IAGOWNOFSA-N 2 1 380.533 0.724 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418833152 1192660161 /nfs/dbraw/zinc/66/01/61/1192660161.db2.gz KTMDYRJRECAVRK-OAGGEKHMSA-N 2 1 378.473 0.497 20 0 GCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418835107 1192660592 /nfs/dbraw/zinc/66/05/92/1192660592.db2.gz PIYMUITXTOFTOP-MRXNPFEDSA-N 2 1 380.533 0.724 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccco1 ZINC000418836203 1192660656 /nfs/dbraw/zinc/66/06/56/1192660656.db2.gz QUKRJLODPJCEPC-JFIYKMOQSA-N 2 1 392.500 0.743 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418834620 1192660687 /nfs/dbraw/zinc/66/06/87/1192660687.db2.gz OWQPKLMSJWTPCG-IRXDYDNUSA-N 2 1 380.533 0.866 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@@H]1C[NH3+] ZINC000418836162 1192660820 /nfs/dbraw/zinc/66/08/20/1192660820.db2.gz QTBHWRJSFNABGF-IRXDYDNUSA-N 2 1 380.533 0.581 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[C@@H]([NH2+]C)C3)CC2)cs1 ZINC000418849435 1192665652 /nfs/dbraw/zinc/66/56/52/1192665652.db2.gz AUCIYZFDICXKLA-OAHLLOKOSA-N 2 1 393.557 0.854 20 0 GCADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000418850598 1192665705 /nfs/dbraw/zinc/66/57/05/1192665705.db2.gz DBAWABPJPZFOKM-KRWDZBQOSA-N 2 1 396.919 0.590 20 0 GCADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000418850598 1192665709 /nfs/dbraw/zinc/66/57/09/1192665709.db2.gz DBAWABPJPZFOKM-KRWDZBQOSA-N 2 1 396.919 0.590 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)oc1C ZINC000418851929 1192665820 /nfs/dbraw/zinc/66/58/20/1192665820.db2.gz GIGRSCLLZWGTHZ-UONOGXRCSA-N 2 1 391.516 0.828 20 0 GCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418854773 1192666180 /nfs/dbraw/zinc/66/61/80/1192666180.db2.gz UCNYGVSIGCHRJU-NVXWUHKLSA-N 2 1 376.501 0.872 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])[NH+](C)C ZINC000418853962 1192666940 /nfs/dbraw/zinc/66/69/40/1192666940.db2.gz STHHPTLQXMXIFO-INMHGKMJSA-N 2 1 392.500 0.379 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)n1C ZINC000418857760 1192670032 /nfs/dbraw/zinc/67/00/32/1192670032.db2.gz TWNOOUMSMNBGOZ-GOEBONIOSA-N 2 1 376.505 0.483 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)n1C ZINC000418858455 1192670359 /nfs/dbraw/zinc/67/03/59/1192670359.db2.gz WBPMPASATFPMJR-JKSUJKDBSA-N 2 1 388.447 0.195 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[NH2+]CC3)CC2)cs1 ZINC000418859985 1192670446 /nfs/dbraw/zinc/67/04/46/1192670446.db2.gz YZAFGBJJYZBUER-UHFFFAOYSA-N 2 1 393.557 0.856 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)cs1 ZINC000418859568 1192670967 /nfs/dbraw/zinc/67/09/67/1192670967.db2.gz YAVOIZHCJSRKDA-MRXNPFEDSA-N 2 1 393.557 0.887 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883293 1192678352 /nfs/dbraw/zinc/67/83/52/1192678352.db2.gz USGHOURRECCZDA-WOJBJXKFSA-N 2 1 396.491 0.686 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CCCO1 ZINC000418884205 1192678628 /nfs/dbraw/zinc/67/86/28/1192678628.db2.gz WKZJOJUJVLICDS-KRWDZBQOSA-N 2 1 376.501 0.591 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000418883291 1192678890 /nfs/dbraw/zinc/67/88/90/1192678890.db2.gz USGHOURRECCZDA-UXHICEINSA-N 2 1 396.491 0.686 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418884174 1192678989 /nfs/dbraw/zinc/67/89/89/1192678989.db2.gz WGJXAMOZYZIJRS-RTBURBONSA-N 2 1 388.512 0.470 20 0 GCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418884172 1192679355 /nfs/dbraw/zinc/67/93/55/1192679355.db2.gz WGJXAMOZYZIJRS-RBUKOAKNSA-N 2 1 388.512 0.470 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H]1C[NH3+] ZINC000418878613 1192674536 /nfs/dbraw/zinc/67/45/36/1192674536.db2.gz LQSZAUYDXBPFJB-AYOQOUSVSA-N 2 1 388.512 0.455 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000418878716 1192674882 /nfs/dbraw/zinc/67/48/82/1192674882.db2.gz LYUVDKGRVMFCGJ-GOSISDBHSA-N 2 1 388.512 0.647 20 0 GCADMP CCCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000418883888 1192679419 /nfs/dbraw/zinc/67/94/19/1192679419.db2.gz VUMYTBASSUYGOG-OALUTQOASA-N 2 1 388.512 0.470 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C[C@@H]1C[NH3+] ZINC000418877807 1192676228 /nfs/dbraw/zinc/67/62/28/1192676228.db2.gz KJNYNXIUWGHEKY-MNEFBYGVSA-N 2 1 388.512 0.313 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883610 1192679516 /nfs/dbraw/zinc/67/95/16/1192679516.db2.gz VGZZCEPLNQWPLB-WMZOPIPTSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000418948851 1192699279 /nfs/dbraw/zinc/69/92/79/1192699279.db2.gz OVUKFKYSXABQLV-ZOBUZTSGSA-N 2 1 376.501 0.852 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963740 1192704005 /nfs/dbraw/zinc/70/40/05/1192704005.db2.gz MLNNYNDSTCMGAJ-HOTGVXAUSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000418963740 1192704010 /nfs/dbraw/zinc/70/40/10/1192704010.db2.gz MLNNYNDSTCMGAJ-HOTGVXAUSA-N 2 1 390.484 0.263 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996789 1192711800 /nfs/dbraw/zinc/71/18/00/1192711800.db2.gz KOAUFIUMCOQRRR-NVXWUHKLSA-N 2 1 376.501 0.854 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410571305 1192722123 /nfs/dbraw/zinc/72/21/23/1192722123.db2.gz JTQCUMAZEHVTBT-SFHVURJKSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419021269 1192725980 /nfs/dbraw/zinc/72/59/80/1192725980.db2.gz GQLQTFBTHVXCDU-NEPXVJNWSA-N 2 1 394.560 0.968 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419025637 1192727692 /nfs/dbraw/zinc/72/76/92/1192727692.db2.gz MLULUPOHFXPVNS-VVLHAWIVSA-N 2 1 382.549 0.824 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)c1 ZINC000419032559 1192733231 /nfs/dbraw/zinc/73/32/31/1192733231.db2.gz WAWMOEVTWLCLSA-WMLDXEAASA-N 2 1 376.501 0.984 20 0 GCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000419033892 1192733899 /nfs/dbraw/zinc/73/38/99/1192733899.db2.gz XRRKYVYZVVJKNY-YTQUADARSA-N 2 1 388.512 0.857 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410592317 1192736824 /nfs/dbraw/zinc/73/68/24/1192736824.db2.gz YJBGNCPPCICQFB-LZLYRXPVSA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[N@@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410592317 1192736827 /nfs/dbraw/zinc/73/68/27/1192736827.db2.gz YJBGNCPPCICQFB-LZLYRXPVSA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[N@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410592317 1192736830 /nfs/dbraw/zinc/73/68/30/1192736830.db2.gz YJBGNCPPCICQFB-LZLYRXPVSA-N 2 1 378.517 0.393 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000419040501 1192737538 /nfs/dbraw/zinc/73/75/38/1192737538.db2.gz MPSRPPOMQHIBBO-MHORFTMASA-N 2 1 380.533 0.593 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419052460 1192749888 /nfs/dbraw/zinc/74/98/88/1192749888.db2.gz DFFBCDWQJVMCGX-GUDVDZBRSA-N 2 1 390.528 0.739 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000419059053 1192755564 /nfs/dbraw/zinc/75/55/64/1192755564.db2.gz CPWMILADTZSTMZ-OAGGEKHMSA-N 2 1 382.549 0.885 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419064351 1192759795 /nfs/dbraw/zinc/75/97/95/1192759795.db2.gz CCYMBANBOPBPEA-OAHLLOKOSA-N 2 1 395.935 0.822 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419064839 1192761361 /nfs/dbraw/zinc/76/13/61/1192761361.db2.gz CLODCEPKOOQCOF-MRXNPFEDSA-N 2 1 376.501 0.591 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419064839 1192761366 /nfs/dbraw/zinc/76/13/66/1192761366.db2.gz CLODCEPKOOQCOF-MRXNPFEDSA-N 2 1 376.501 0.591 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2)CCO1 ZINC000419069331 1192764593 /nfs/dbraw/zinc/76/45/93/1192764593.db2.gz ITGLKLFLSZGQHY-MDZRGWNJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)c2)CCO1 ZINC000419069331 1192764596 /nfs/dbraw/zinc/76/45/96/1192764596.db2.gz ITGLKLFLSZGQHY-MDZRGWNJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CCO1 ZINC000419068615 1192765671 /nfs/dbraw/zinc/76/56/71/1192765671.db2.gz HXMBMXRQVAOYAC-ZYSHUDEJSA-N 2 1 386.496 0.201 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CCO1 ZINC000419068615 1192765675 /nfs/dbraw/zinc/76/56/75/1192765675.db2.gz HXMBMXRQVAOYAC-ZYSHUDEJSA-N 2 1 386.496 0.201 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@H](C)[NH2+]1 ZINC000419078556 1192775833 /nfs/dbraw/zinc/77/58/33/1192775833.db2.gz SUNGQZSCMJTMNU-IXDOHACOSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@H](C)[NH2+]1 ZINC000419078556 1192775836 /nfs/dbraw/zinc/77/58/36/1192775836.db2.gz SUNGQZSCMJTMNU-IXDOHACOSA-N 2 1 388.512 0.732 20 0 GCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)[nH+]c1 ZINC000419090323 1192781174 /nfs/dbraw/zinc/78/11/74/1192781174.db2.gz FEBLVUXIWPCXKM-FUHWJXTLSA-N 2 1 399.470 1.401 20 0 GCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)[nH+]c1 ZINC000419089797 1192781344 /nfs/dbraw/zinc/78/13/44/1192781344.db2.gz DMTDBEIANMRATF-MOPGFXCFSA-N 2 1 395.507 1.509 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419098527 1192784552 /nfs/dbraw/zinc/78/45/52/1192784552.db2.gz CJSIAKSNIYYMLB-QZTJIDSGSA-N 2 1 388.512 0.508 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419098529 1192784649 /nfs/dbraw/zinc/78/46/49/1192784649.db2.gz CJSIAKSNIYYMLB-ZWKOTPCHSA-N 2 1 388.512 0.508 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109649 1192791088 /nfs/dbraw/zinc/79/10/88/1192791088.db2.gz BEJBBXCAXKDBJN-KSZLIROESA-N 2 1 382.549 0.873 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119864 1192794110 /nfs/dbraw/zinc/79/41/10/1192794110.db2.gz PPEVRAFJSLAZMT-NXHRZFHOSA-N 2 1 382.549 0.744 20 0 GCADMP CCCN(C(=O)C(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419123057 1192795705 /nfs/dbraw/zinc/79/57/05/1192795705.db2.gz UYDLUCGPFRHLKM-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118559 1192801724 /nfs/dbraw/zinc/80/17/24/1192801724.db2.gz NZMUIQNXBMTCNX-PXNSSMCTSA-N 2 1 382.549 0.746 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419116841 1192801927 /nfs/dbraw/zinc/80/19/27/1192801927.db2.gz LNQBYVHKCDUJML-SZMVWBNQSA-N 2 1 382.549 0.683 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419116836 1192801935 /nfs/dbraw/zinc/80/19/35/1192801935.db2.gz LNQBYVHKCDUJML-NJAFHUGGSA-N 2 1 382.549 0.683 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419118860 1192803343 /nfs/dbraw/zinc/80/33/43/1192803343.db2.gz OEVSFRPBPQODCE-ROUUACIJSA-N 2 1 382.549 0.873 20 0 GCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419166576 1192822862 /nfs/dbraw/zinc/82/28/62/1192822862.db2.gz HMINNAYVKIXZKO-DLBZAZTESA-N 2 1 395.548 0.071 20 0 GCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419161398 1192818926 /nfs/dbraw/zinc/81/89/26/1192818926.db2.gz DMDUNJIBYBDMDA-QRVBRYPASA-N 2 1 386.496 0.214 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161087 1192819845 /nfs/dbraw/zinc/81/98/45/1192819845.db2.gz CTTXSNMSGOPWMR-OAHLLOKOSA-N 2 1 384.427 0.104 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161087 1192819850 /nfs/dbraw/zinc/81/98/50/1192819850.db2.gz CTTXSNMSGOPWMR-OAHLLOKOSA-N 2 1 384.427 0.104 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161669 1192820387 /nfs/dbraw/zinc/82/03/87/1192820387.db2.gz FAUFSADPXUNKHF-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419163554 1192820987 /nfs/dbraw/zinc/82/09/87/1192820987.db2.gz LOYOQKAMEKYVFG-RTBURBONSA-N 2 1 390.528 0.754 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419162834 1192821313 /nfs/dbraw/zinc/82/13/13/1192821313.db2.gz ICKSGNKGRPYOAR-GOSISDBHSA-N 2 1 376.501 0.510 20 0 GCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163020 1192821643 /nfs/dbraw/zinc/82/16/43/1192821643.db2.gz IOWRXASHSHQLJO-QRVBRYPASA-N 2 1 388.512 0.637 20 0 GCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163021 1192821825 /nfs/dbraw/zinc/82/18/25/1192821825.db2.gz IOWRXASHSHQLJO-QYZOEREBSA-N 2 1 388.512 0.637 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419166096 1192822436 /nfs/dbraw/zinc/82/24/36/1192822436.db2.gz OHUVUJNAZJZLEN-SFHVURJKSA-N 2 1 376.501 0.462 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419171368 1192825678 /nfs/dbraw/zinc/82/56/78/1192825678.db2.gz XNOKPSMUXNEQQD-GOSISDBHSA-N 2 1 390.528 0.837 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172286 1192825710 /nfs/dbraw/zinc/82/57/10/1192825710.db2.gz YWVNAYOBWTZETP-MOPGFXCFSA-N 2 1 390.528 0.883 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419167664 1192829576 /nfs/dbraw/zinc/82/95/76/1192829576.db2.gz QRYQWCLMVZCBEX-SJLPKXTDSA-N 2 1 376.501 0.365 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000419194788 1192832509 /nfs/dbraw/zinc/83/25/09/1192832509.db2.gz UEBJMAJARUQCEF-VQIMIIECSA-N 2 1 388.512 0.782 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181034 1192833550 /nfs/dbraw/zinc/83/35/50/1192833550.db2.gz KLOLVNHWCZUCRF-MSOLQXFVSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@H](CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419185461 1192834884 /nfs/dbraw/zinc/83/48/84/1192834884.db2.gz DKCNCXKVILWWNT-AEFFLSMTSA-N 2 1 376.501 0.508 20 0 GCADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410698006 1192836549 /nfs/dbraw/zinc/83/65/49/1192836549.db2.gz MKDOZWJRYQYXIY-SCTDSRPQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[NH+]4C[C@@H]3C)CC2)CCO1 ZINC000410698006 1192836554 /nfs/dbraw/zinc/83/65/54/1192836554.db2.gz MKDOZWJRYQYXIY-SCTDSRPQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[N@@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410698006 1192836557 /nfs/dbraw/zinc/83/65/57/1192836557.db2.gz MKDOZWJRYQYXIY-SCTDSRPQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[N@H+]4C[C@@H]3C)CC2)CCO1 ZINC000410698006 1192836559 /nfs/dbraw/zinc/83/65/59/1192836559.db2.gz MKDOZWJRYQYXIY-SCTDSRPQSA-N 2 1 392.544 0.783 20 0 GCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC1 ZINC000410701001 1192840478 /nfs/dbraw/zinc/84/04/78/1192840478.db2.gz UOXRATHTNFVMES-KRWDZBQOSA-N 2 1 389.500 0.537 20 0 GCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)CC1 ZINC000410701001 1192840487 /nfs/dbraw/zinc/84/04/87/1192840487.db2.gz UOXRATHTNFVMES-KRWDZBQOSA-N 2 1 389.500 0.537 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000410699116 1192841732 /nfs/dbraw/zinc/84/17/32/1192841732.db2.gz PEANTNZOGOFKFU-FHWLQOOXSA-N 2 1 393.576 0.269 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000410699116 1192841735 /nfs/dbraw/zinc/84/17/35/1192841735.db2.gz PEANTNZOGOFKFU-FHWLQOOXSA-N 2 1 393.576 0.269 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000410699118 1192842042 /nfs/dbraw/zinc/84/20/42/1192842042.db2.gz PEANTNZOGOFKFU-OTWHNJEPSA-N 2 1 393.576 0.269 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000410699118 1192842050 /nfs/dbraw/zinc/84/20/50/1192842050.db2.gz PEANTNZOGOFKFU-OTWHNJEPSA-N 2 1 393.576 0.269 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)cc2)C[C@H](C)O1 ZINC000419201201 1192842088 /nfs/dbraw/zinc/84/20/88/1192842088.db2.gz FXHPTEMJZGJXEK-IYBDPMFKSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000419201774 1192843307 /nfs/dbraw/zinc/84/33/07/1192843307.db2.gz GJPVAZRBBWEBQF-JTDSTZFVSA-N 2 1 388.512 0.780 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893741581 1192848060 /nfs/dbraw/zinc/84/80/60/1192848060.db2.gz SKBDUMDRINLCST-WTGUMLROSA-N 2 1 394.560 0.995 20 0 GCADMP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740869 1192846701 /nfs/dbraw/zinc/84/67/01/1192846701.db2.gz MHPIDIATJWGCES-OALUTQOASA-N 2 1 381.565 0.643 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893741578 1192847970 /nfs/dbraw/zinc/84/79/70/1192847970.db2.gz SKBDUMDRINLCST-HAGHYFMRSA-N 2 1 394.560 0.995 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)C1 ZINC000419204787 1192857895 /nfs/dbraw/zinc/85/78/95/1192857895.db2.gz JEYJDGBMIGLSGY-QFBILLFUSA-N 2 1 388.512 0.721 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419209907 1192895281 /nfs/dbraw/zinc/89/52/81/1192895281.db2.gz XDFIIDAWNIZZBJ-NZSAHSFTSA-N 2 1 390.528 0.978 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000410750144 1192899475 /nfs/dbraw/zinc/89/94/75/1192899475.db2.gz BLCFLVOBQIKQOX-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410750144 1192899480 /nfs/dbraw/zinc/89/94/80/1192899480.db2.gz BLCFLVOBQIKQOX-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000410750144 1192899484 /nfs/dbraw/zinc/89/94/84/1192899484.db2.gz BLCFLVOBQIKQOX-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@@H+]1CCOC ZINC000410779596 1192900748 /nfs/dbraw/zinc/90/07/48/1192900748.db2.gz LFLWKLZHHPRTLR-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)CC[N@H+]1CCOC ZINC000410779596 1192900750 /nfs/dbraw/zinc/90/07/50/1192900750.db2.gz LFLWKLZHHPRTLR-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC[NH+]1CCOC ZINC000410779596 1192900752 /nfs/dbraw/zinc/90/07/52/1192900752.db2.gz LFLWKLZHHPRTLR-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC[NH+]1CCOC ZINC000410779596 1192900754 /nfs/dbraw/zinc/90/07/54/1192900754.db2.gz LFLWKLZHHPRTLR-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000410779766 1192901218 /nfs/dbraw/zinc/90/12/18/1192901218.db2.gz MKXXQTYQCCORKV-QRVBRYPASA-N 2 1 394.560 0.888 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000410837314 1192907051 /nfs/dbraw/zinc/90/70/51/1192907051.db2.gz UXLILDXJZHHSFP-NRFANRHFSA-N 2 1 394.560 0.748 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000410837314 1192907053 /nfs/dbraw/zinc/90/70/53/1192907053.db2.gz UXLILDXJZHHSFP-NRFANRHFSA-N 2 1 394.560 0.748 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)CC2)CC1 ZINC000663877087 1192917604 /nfs/dbraw/zinc/91/76/04/1192917604.db2.gz QRZSAOXTZLLJFV-HXUWFJFHSA-N 2 1 393.576 0.786 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C[C@@H]1Cc1ccccc1 ZINC000410969047 1192921103 /nfs/dbraw/zinc/92/11/03/1192921103.db2.gz FINJJPVYGNADKB-AABGKKOBSA-N 2 1 384.524 0.924 20 0 GCADMP CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C)[C@@H](Cc4ccccc4)C3)[C@H]2C1 ZINC000410969047 1192921106 /nfs/dbraw/zinc/92/11/06/1192921106.db2.gz FINJJPVYGNADKB-AABGKKOBSA-N 2 1 384.524 0.924 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579691385 1184090014 /nfs/dbraw/zinc/09/00/14/1184090014.db2.gz OQJKMYKGYXEAOS-HXUWFJFHSA-N 2 1 399.539 0.898 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694023 1184093279 /nfs/dbraw/zinc/09/32/79/1184093279.db2.gz VEIFMNPWKWLATK-AHRSYUTCSA-N 2 1 399.539 0.954 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694023 1184093286 /nfs/dbraw/zinc/09/32/86/1184093286.db2.gz VEIFMNPWKWLATK-AHRSYUTCSA-N 2 1 399.539 0.954 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000579714609 1184103108 /nfs/dbraw/zinc/10/31/08/1184103108.db2.gz HBKPYJQSKAUMAO-GJZGRUSLSA-N 2 1 380.514 0.984 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594084 1184112460 /nfs/dbraw/zinc/11/24/60/1184112460.db2.gz KSBCLHOCWJGDBL-RDJZCZTQSA-N 2 1 382.530 0.406 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594084 1184112467 /nfs/dbraw/zinc/11/24/67/1184112467.db2.gz KSBCLHOCWJGDBL-RDJZCZTQSA-N 2 1 382.530 0.406 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000274621044 1184124217 /nfs/dbraw/zinc/12/42/17/1184124217.db2.gz FVWYRCDRDGMKSN-INIZCTEOSA-N 2 1 382.505 0.920 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643587232 1184270754 /nfs/dbraw/zinc/27/07/54/1184270754.db2.gz SVOWKOPKWRYLDW-YRPNKDGESA-N 2 1 384.524 0.958 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643587232 1184270759 /nfs/dbraw/zinc/27/07/59/1184270759.db2.gz SVOWKOPKWRYLDW-YRPNKDGESA-N 2 1 384.524 0.958 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000471197226 1184407833 /nfs/dbraw/zinc/40/78/33/1184407833.db2.gz UMVGZRHYCCTARC-UHFFFAOYSA-N 2 1 397.545 0.232 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC[NH2+]C ZINC000419063066 1184508232 /nfs/dbraw/zinc/50/82/32/1184508232.db2.gz WNKVPKWJWMNWSN-QZTJIDSGSA-N 2 1 376.501 0.318 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077073 1184509394 /nfs/dbraw/zinc/50/93/94/1184509394.db2.gz QNMDRBYRHDQQBN-ATZDWAIDSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077073 1184509400 /nfs/dbraw/zinc/50/94/00/1184509400.db2.gz QNMDRBYRHDQQBN-ATZDWAIDSA-N 2 1 388.512 0.910 20 0 GCADMP CC[N@@H+](CCC(=O)N1CCN(C)CC1)CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000275196125 1184549023 /nfs/dbraw/zinc/54/90/23/1184549023.db2.gz DYJLMVKWOQUZLI-UHFFFAOYSA-N 2 1 390.484 0.882 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc(O)c1 ZINC000275266397 1184570590 /nfs/dbraw/zinc/57/05/90/1184570590.db2.gz IVMDLMDBZXWYLJ-QGZVFWFLSA-N 2 1 376.501 0.997 20 0 GCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250341 1184575408 /nfs/dbraw/zinc/57/54/08/1184575408.db2.gz UUBDAUUDDAWSMH-HKUYNNGSSA-N 2 1 379.549 0.166 20 0 GCADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001707870227 1184636088 /nfs/dbraw/zinc/63/60/88/1184636088.db2.gz CHXAEHXNFHNFLS-WDSOQIARSA-N 2 1 392.548 0.590 20 0 GCADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001707870227 1184636091 /nfs/dbraw/zinc/63/60/91/1184636091.db2.gz CHXAEHXNFHNFLS-WDSOQIARSA-N 2 1 392.548 0.590 20 0 GCADMP C[NH+](C)CC[C@@H](N)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000653109734 1184649391 /nfs/dbraw/zinc/64/93/91/1184649391.db2.gz LAFALZOBXCINLA-GOSISDBHSA-N 2 1 391.516 0.243 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729095 1184754964 /nfs/dbraw/zinc/75/49/64/1184754964.db2.gz FLHQAHYWIGJBJP-YTQUADARSA-N 2 1 387.528 0.115 20 0 GCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729137 1184759100 /nfs/dbraw/zinc/75/91/00/1184759100.db2.gz ORRPLOKNJJOYOK-KRWDZBQOSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NCC[NH2+]C1CC1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729137 1184759105 /nfs/dbraw/zinc/75/91/05/1184759105.db2.gz ORRPLOKNJJOYOK-KRWDZBQOSA-N 2 1 376.526 0.588 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642729485 1184783847 /nfs/dbraw/zinc/78/38/47/1184783847.db2.gz PUDYMJCUSOWUSG-MOPGFXCFSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642729485 1184783854 /nfs/dbraw/zinc/78/38/54/1184783854.db2.gz PUDYMJCUSOWUSG-MOPGFXCFSA-N 2 1 388.512 0.650 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393535 1184815369 /nfs/dbraw/zinc/81/53/69/1184815369.db2.gz LDRRVPFICFYYJT-NXHRZFHOSA-N 2 1 396.532 0.501 20 0 GCADMP CN1CC[NH+](CCCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275638146 1184847507 /nfs/dbraw/zinc/84/75/07/1184847507.db2.gz OBPKYHHKBLXDSB-UHFFFAOYSA-N 2 1 375.517 0.483 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744827 1184858704 /nfs/dbraw/zinc/85/87/04/1184858704.db2.gz CLZUGHMAKFYCMT-GDAAHCPNSA-N 2 1 388.512 0.778 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744827 1184858708 /nfs/dbraw/zinc/85/87/08/1184858708.db2.gz CLZUGHMAKFYCMT-GDAAHCPNSA-N 2 1 388.512 0.778 20 0 GCADMP COc1cc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)ccc1OCCO ZINC001648876396 1184871549 /nfs/dbraw/zinc/87/15/49/1184871549.db2.gz IODNXAKLHGRYEB-UHFFFAOYSA-N 2 1 387.484 0.898 20 0 GCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275675552 1184908683 /nfs/dbraw/zinc/90/86/83/1184908683.db2.gz KASNLXCCFRSNBG-OAHLLOKOSA-N 2 1 389.500 0.925 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275675552 1184908686 /nfs/dbraw/zinc/90/86/86/1184908686.db2.gz KASNLXCCFRSNBG-OAHLLOKOSA-N 2 1 389.500 0.925 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000655974154 1184909933 /nfs/dbraw/zinc/90/99/33/1184909933.db2.gz NGQNQVONOMGDHV-KZNAEPCWSA-N 2 1 377.533 0.857 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCO1 ZINC000642761473 1184925922 /nfs/dbraw/zinc/92/59/22/1184925922.db2.gz KYZOEEAQRVTYQF-QBYUYEEZSA-N 2 1 394.541 0.822 20 0 GCADMP C[NH+](C)C1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000580061664 1185039642 /nfs/dbraw/zinc/03/96/42/1185039642.db2.gz AQVAVSQETDYFPU-ABHNRTSZSA-N 2 1 380.533 0.689 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122511 1185072333 /nfs/dbraw/zinc/07/23/33/1185072333.db2.gz CJQPFBQZXVLADO-KBPBESRZSA-N 2 1 378.439 0.930 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122511 1185072338 /nfs/dbraw/zinc/07/23/38/1185072338.db2.gz CJQPFBQZXVLADO-KBPBESRZSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122511 1185072341 /nfs/dbraw/zinc/07/23/41/1185072341.db2.gz CJQPFBQZXVLADO-KBPBESRZSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)CCC(F)(F)F ZINC000580122511 1185072344 /nfs/dbraw/zinc/07/23/44/1185072344.db2.gz CJQPFBQZXVLADO-KBPBESRZSA-N 2 1 378.439 0.930 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@H]21 ZINC000580165403 1185099546 /nfs/dbraw/zinc/09/95/46/1185099546.db2.gz GCDPANVURNEEAL-RTBURBONSA-N 2 1 392.544 0.500 20 0 GCADMP C[NH2+][C@H](C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1)c1cnn(C)c1 ZINC000580190005 1185113298 /nfs/dbraw/zinc/11/32/98/1185113298.db2.gz ARGHUJRYQREIBT-KRWDZBQOSA-N 2 1 386.504 0.189 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807401 1185115596 /nfs/dbraw/zinc/11/55/96/1185115596.db2.gz DKAOWBLDVUOAMA-HNNXBMFYSA-N 2 1 390.532 0.722 20 0 GCADMP CC(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000580292941 1185141459 /nfs/dbraw/zinc/14/14/59/1185141459.db2.gz KDYPBBOFKZNWCL-SFHVURJKSA-N 2 1 379.549 0.166 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000580309379 1185151034 /nfs/dbraw/zinc/15/10/34/1185151034.db2.gz UMXGPZRUBKWWRW-KSZLIROESA-N 2 1 379.549 0.262 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000580445358 1185233123 /nfs/dbraw/zinc/23/31/23/1185233123.db2.gz UVRROIAHXHDCGY-HOTGVXAUSA-N 2 1 391.516 0.493 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)C ZINC000580491332 1185251242 /nfs/dbraw/zinc/25/12/42/1185251242.db2.gz JWRVTBUUNILOTQ-MSOLQXFVSA-N 2 1 382.549 0.717 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)C ZINC000580491333 1185251883 /nfs/dbraw/zinc/25/18/83/1185251883.db2.gz JWRVTBUUNILOTQ-QZTJIDSGSA-N 2 1 382.549 0.717 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656293609 1185352614 /nfs/dbraw/zinc/35/26/14/1185352614.db2.gz KZVOOJZMDNCZDA-ROUUACIJSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656293609 1185352619 /nfs/dbraw/zinc/35/26/19/1185352619.db2.gz KZVOOJZMDNCZDA-ROUUACIJSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656293609 1185352625 /nfs/dbraw/zinc/35/26/25/1185352625.db2.gz KZVOOJZMDNCZDA-ROUUACIJSA-N 2 1 379.549 0.262 20 0 GCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296551 1185356879 /nfs/dbraw/zinc/35/68/79/1185356879.db2.gz LCGWNAKYGFVVQR-ZWKOTPCHSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656296551 1185356883 /nfs/dbraw/zinc/35/68/83/1185356883.db2.gz LCGWNAKYGFVVQR-ZWKOTPCHSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296551 1185356889 /nfs/dbraw/zinc/35/68/89/1185356889.db2.gz LCGWNAKYGFVVQR-ZWKOTPCHSA-N 2 1 379.549 0.263 20 0 GCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296548 1185356910 /nfs/dbraw/zinc/35/69/10/1185356910.db2.gz LCGWNAKYGFVVQR-MSOLQXFVSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656296548 1185356915 /nfs/dbraw/zinc/35/69/15/1185356915.db2.gz LCGWNAKYGFVVQR-MSOLQXFVSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296548 1185356917 /nfs/dbraw/zinc/35/69/17/1185356917.db2.gz LCGWNAKYGFVVQR-MSOLQXFVSA-N 2 1 379.549 0.263 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000656306895 1185380939 /nfs/dbraw/zinc/38/09/39/1185380939.db2.gz KQYLDXDVZPTQAK-MRXNPFEDSA-N 2 1 395.548 0.023 20 0 GCADMP CC(C)C(=O)N[C@@H](CO)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000580827249 1185387463 /nfs/dbraw/zinc/38/74/63/1185387463.db2.gz AEWHHXVMVJQMGF-IBGZPJMESA-N 2 1 396.576 0.774 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000580850907 1185396063 /nfs/dbraw/zinc/39/60/63/1185396063.db2.gz VACJXXFGAIDOCI-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP Cc1nnc(N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001707885944 1185402188 /nfs/dbraw/zinc/40/21/88/1185402188.db2.gz CJVRRHLXVBQMAH-AZUAARDMSA-N 2 1 391.564 0.258 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656353383 1185449618 /nfs/dbraw/zinc/44/96/18/1185449618.db2.gz ANRYNDQYNAJILU-QZTJIDSGSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356144 1185454261 /nfs/dbraw/zinc/45/42/61/1185454261.db2.gz QXALUBZYFSLZHA-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356144 1185454264 /nfs/dbraw/zinc/45/42/64/1185454264.db2.gz QXALUBZYFSLZHA-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356144 1185454267 /nfs/dbraw/zinc/45/42/67/1185454267.db2.gz QXALUBZYFSLZHA-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356144 1185454270 /nfs/dbraw/zinc/45/42/70/1185454270.db2.gz QXALUBZYFSLZHA-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356461 1185456868 /nfs/dbraw/zinc/45/68/68/1185456868.db2.gz DMTIKFPNOMEVQD-WDSOQIARSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356461 1185456874 /nfs/dbraw/zinc/45/68/74/1185456874.db2.gz DMTIKFPNOMEVQD-WDSOQIARSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356461 1185456880 /nfs/dbraw/zinc/45/68/80/1185456880.db2.gz DMTIKFPNOMEVQD-WDSOQIARSA-N 2 1 392.544 0.831 20 0 GCADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152428 1185503755 /nfs/dbraw/zinc/50/37/55/1185503755.db2.gz DITWWIKPHURCRX-GOSISDBHSA-N 2 1 395.592 0.707 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000581183032 1185525931 /nfs/dbraw/zinc/52/59/31/1185525931.db2.gz NWNPDQVSRGAGBS-BVPBIZIASA-N 2 1 378.517 0.079 20 0 GCADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)CC1 ZINC000558216919 1185531700 /nfs/dbraw/zinc/53/17/00/1185531700.db2.gz JPPYDNZZDQGZTC-MOPGFXCFSA-N 2 1 393.576 0.319 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000625464718 1185544244 /nfs/dbraw/zinc/54/42/44/1185544244.db2.gz BNRXOMQGKHPJBS-GOSISDBHSA-N 3 1 381.565 0.461 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299705 1185574055 /nfs/dbraw/zinc/57/40/55/1185574055.db2.gz XVZIWTUFZJSVDS-ZWKOTPCHSA-N 2 1 395.548 0.197 20 0 GCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559580 1185596651 /nfs/dbraw/zinc/59/66/51/1185596651.db2.gz DNOIALIBOOEHEL-RHSMWYFYSA-N 2 1 384.546 0.686 20 0 GCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559580 1185596658 /nfs/dbraw/zinc/59/66/58/1185596658.db2.gz DNOIALIBOOEHEL-RHSMWYFYSA-N 2 1 384.546 0.686 20 0 GCADMP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346512 1185618481 /nfs/dbraw/zinc/61/84/81/1185618481.db2.gz FEQVZYVQVOVSAW-YFHUEUNASA-N 2 1 378.521 0.591 20 0 GCADMP CCn1nncc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346512 1185618489 /nfs/dbraw/zinc/61/84/89/1185618489.db2.gz FEQVZYVQVOVSAW-YFHUEUNASA-N 2 1 378.521 0.591 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000581367340 1185618670 /nfs/dbraw/zinc/61/86/70/1185618670.db2.gz UUCDOVOGCOGWLC-IBGZPJMESA-N 2 1 387.528 0.309 20 0 GCADMP COc1cncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346985 1185619461 /nfs/dbraw/zinc/61/94/61/1185619461.db2.gz OLGYLXLKZSLDRE-YFHUEUNASA-N 2 1 391.516 0.779 20 0 GCADMP COc1cncc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346985 1185619465 /nfs/dbraw/zinc/61/94/65/1185619465.db2.gz OLGYLXLKZSLDRE-YFHUEUNASA-N 2 1 391.516 0.779 20 0 GCADMP C[NH+](C)CCCOc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1 ZINC000628104061 1185646963 /nfs/dbraw/zinc/64/69/63/1185646963.db2.gz FWWJDPZCPYOFHA-INIZCTEOSA-N 2 1 378.473 0.138 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418841 1185665626 /nfs/dbraw/zinc/66/56/26/1185665626.db2.gz FFGSZYIBAXKWAF-MAUKXSAKSA-N 2 1 378.473 0.647 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418841 1185665631 /nfs/dbraw/zinc/66/56/31/1185665631.db2.gz FFGSZYIBAXKWAF-MAUKXSAKSA-N 2 1 378.473 0.647 20 0 GCADMP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430599306 1185679372 /nfs/dbraw/zinc/67/93/72/1185679372.db2.gz ADPKEBYNTLQWOB-OAHLLOKOSA-N 2 1 396.919 0.964 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000430602666 1185686586 /nfs/dbraw/zinc/68/65/86/1185686586.db2.gz HPUFOAVUXJBNRB-OAHLLOKOSA-N 2 1 388.468 0.540 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000430602666 1185686589 /nfs/dbraw/zinc/68/65/89/1185686589.db2.gz HPUFOAVUXJBNRB-OAHLLOKOSA-N 2 1 388.468 0.540 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000581440819 1185692023 /nfs/dbraw/zinc/69/20/23/1185692023.db2.gz SDQAKJPXTLWPPI-CEXWTWQISA-N 2 1 385.512 0.850 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)C1CC1 ZINC000581440821 1185692049 /nfs/dbraw/zinc/69/20/49/1185692049.db2.gz SDQAKJPXTLWPPI-GUDVDZBRSA-N 2 1 385.512 0.850 20 0 GCADMP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430604608 1185696622 /nfs/dbraw/zinc/69/66/22/1185696622.db2.gz OCOSWUXQOOSELI-OAHLLOKOSA-N 2 1 375.473 0.114 20 0 GCADMP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430604608 1185696625 /nfs/dbraw/zinc/69/66/25/1185696625.db2.gz OCOSWUXQOOSELI-OAHLLOKOSA-N 2 1 375.473 0.114 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414159 1185722949 /nfs/dbraw/zinc/72/29/49/1185722949.db2.gz GHCKHBXTUWASLW-UUAJXVIYSA-N 2 1 379.505 0.683 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430609574 1185751578 /nfs/dbraw/zinc/75/15/78/1185751578.db2.gz HMSGRNPXDJHYBV-INIZCTEOSA-N 2 1 391.491 0.261 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000430610998 1185752974 /nfs/dbraw/zinc/75/29/74/1185752974.db2.gz NBNOWRJVQSLTPA-AEFFLSMTSA-N 2 1 386.496 0.770 20 0 GCADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611702 1185758562 /nfs/dbraw/zinc/75/85/62/1185758562.db2.gz PPSGYXNNZZIGIA-KBPBESRZSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccccc1CNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612945 1185764102 /nfs/dbraw/zinc/76/41/02/1185764102.db2.gz TXLCYKWEAPPYSN-AEFFLSMTSA-N 2 1 388.512 0.844 20 0 GCADMP Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000430614061 1185768385 /nfs/dbraw/zinc/76/83/85/1185768385.db2.gz XQMVKSOYDFLFEJ-KRWDZBQOSA-N 2 1 376.476 0.894 20 0 GCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614941 1185770286 /nfs/dbraw/zinc/77/02/86/1185770286.db2.gz ANXDAKAQJYOEPZ-GUDVDZBRSA-N 2 1 394.560 0.842 20 0 GCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614945 1185770540 /nfs/dbraw/zinc/77/05/40/1185770540.db2.gz ANXDAKAQJYOEPZ-QYZOEREBSA-N 2 1 394.560 0.842 20 0 GCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000430615760 1185777661 /nfs/dbraw/zinc/77/76/61/1185777661.db2.gz CZWFGNWAGVWVQI-OAHLLOKOSA-N 2 1 390.484 0.786 20 0 GCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000430615760 1185777668 /nfs/dbraw/zinc/77/76/68/1185777668.db2.gz CZWFGNWAGVWVQI-OAHLLOKOSA-N 2 1 390.484 0.786 20 0 GCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615238 1185782851 /nfs/dbraw/zinc/78/28/51/1185782851.db2.gz BGVZIMCTUMPHDY-LSDHHAIUSA-N 2 1 392.500 0.668 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619361 1185794827 /nfs/dbraw/zinc/79/48/27/1185794827.db2.gz BBLMFVYQCIBYCT-ZFWWWQNUSA-N 2 1 375.473 0.759 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000430620722 1185795785 /nfs/dbraw/zinc/79/57/85/1185795785.db2.gz BOXRIDWYWDEDBR-OAHLLOKOSA-N 2 1 383.496 0.840 20 0 GCADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430622142 1185801566 /nfs/dbraw/zinc/80/15/66/1185801566.db2.gz DSLJOLLQLLATIV-INIZCTEOSA-N 2 1 382.530 0.314 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430625433 1185809585 /nfs/dbraw/zinc/80/95/85/1185809585.db2.gz JHYRZEIFXDRFNW-CQSZACIVSA-N 2 1 384.427 0.691 20 0 GCADMP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637593 1185839907 /nfs/dbraw/zinc/83/99/07/1185839907.db2.gz CSCQXPFLKFFHPC-HZPDHXFCSA-N 2 1 378.542 0.939 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCCC1 ZINC000430637402 1185840937 /nfs/dbraw/zinc/84/09/37/1185840937.db2.gz BAXKNLHRZBDLSB-OAHLLOKOSA-N 2 1 379.505 0.289 20 0 GCADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430640803 1185844984 /nfs/dbraw/zinc/84/49/84/1185844984.db2.gz HZBWXDSWNSBDOY-SFHVURJKSA-N 2 1 394.541 0.331 20 0 GCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000430640803 1185844990 /nfs/dbraw/zinc/84/49/90/1185844990.db2.gz HZBWXDSWNSBDOY-SFHVURJKSA-N 2 1 394.541 0.331 20 0 GCADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000581734418 1185871846 /nfs/dbraw/zinc/87/18/46/1185871846.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000581734418 1185871851 /nfs/dbraw/zinc/87/18/51/1185871851.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@@H](C)CN1CCO ZINC000581734418 1185871855 /nfs/dbraw/zinc/87/18/55/1185871855.db2.gz KSRVESPIMXGLKG-UJOPUZHASA-N 2 1 384.609 0.931 20 0 GCADMP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430651126 1185872952 /nfs/dbraw/zinc/87/29/52/1185872952.db2.gz VRGIZSWIOUYPPZ-INIZCTEOSA-N 2 1 395.525 0.613 20 0 GCADMP CS(=O)(=O)c1cccc(OCC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430651126 1185872958 /nfs/dbraw/zinc/87/29/58/1185872958.db2.gz VRGIZSWIOUYPPZ-INIZCTEOSA-N 2 1 395.525 0.613 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000581819258 1185899929 /nfs/dbraw/zinc/89/99/29/1185899929.db2.gz MFYYFNAFJVEJGA-IBGZPJMESA-N 2 1 387.528 0.309 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430660672 1185903492 /nfs/dbraw/zinc/90/34/92/1185903492.db2.gz DPGPOBCESFXXPF-GOSISDBHSA-N 2 1 388.512 0.797 20 0 GCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665375 1185927929 /nfs/dbraw/zinc/92/79/29/1185927929.db2.gz MQBBUFZYKLKVLB-ZBFHGGJFSA-N 2 1 387.484 0.256 20 0 GCADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430666362 1185932225 /nfs/dbraw/zinc/93/22/25/1185932225.db2.gz NUURKNFOAJZRAO-CYBMUJFWSA-N 2 1 377.445 0.130 20 0 GCADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430671304 1185944306 /nfs/dbraw/zinc/94/43/06/1185944306.db2.gz XKVCMLKPTSXIKY-OAHLLOKOSA-N 2 1 378.473 0.107 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]Cc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001087168384 1185971291 /nfs/dbraw/zinc/97/12/91/1185971291.db2.gz JPPBANRQRKZZRD-FXUDXRNXSA-N 2 1 378.521 0.555 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698009 1185982647 /nfs/dbraw/zinc/98/26/47/1185982647.db2.gz WGOUAVMTNCCCGD-MLHJIOFPSA-N 2 1 393.532 0.931 20 0 GCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H](C[NH3+])C3CC3)c2)CC1 ZINC000581931332 1185993220 /nfs/dbraw/zinc/99/32/20/1185993220.db2.gz MGFMHUDOFSXOKN-QGZVFWFLSA-N 2 1 395.529 0.872 20 0 GCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@H](C[NH3+])C3CC3)c2)CC1 ZINC000581931332 1185993223 /nfs/dbraw/zinc/99/32/23/1185993223.db2.gz MGFMHUDOFSXOKN-QGZVFWFLSA-N 2 1 395.529 0.872 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581937802 1185998047 /nfs/dbraw/zinc/99/80/47/1185998047.db2.gz RHHQSACJKWVKSC-ZWJWXYIHSA-N 2 1 391.560 0.199 20 0 GCADMP COCC[C@@]1(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]C1 ZINC000430701182 1186006091 /nfs/dbraw/zinc/00/60/91/1186006091.db2.gz UZPIXBBPUVRHDN-FQEVSTJZSA-N 2 1 380.533 0.405 20 0 GCADMP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761847 1186015413 /nfs/dbraw/zinc/01/54/13/1186015413.db2.gz JUAGYTSIJZBNHW-QZTJIDSGSA-N 2 1 387.532 0.867 20 0 GCADMP C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761847 1186015416 /nfs/dbraw/zinc/01/54/16/1186015416.db2.gz JUAGYTSIJZBNHW-QZTJIDSGSA-N 2 1 387.532 0.867 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)c3cn(C4CC[NH2+]CC4)nn3)CC2)cc[nH+]1 ZINC000430797625 1186031378 /nfs/dbraw/zinc/03/13/78/1186031378.db2.gz FGZATQAFHXTGMW-UHFFFAOYSA-N 2 1 385.476 0.021 20 0 GCADMP C[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000430862385 1186041213 /nfs/dbraw/zinc/04/12/13/1186041213.db2.gz DPDHCPLKLNZMBN-DNVCBOLYSA-N 2 1 384.484 0.932 20 0 GCADMP C[NH+]1C[C@H]2CN(CCS(=O)(=O)CCN3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@@]2(C)C1 ZINC000933735811 1186051158 /nfs/dbraw/zinc/05/11/58/1186051158.db2.gz MVRKGPKMTHNTCU-JVSBHGNQSA-N 2 1 398.617 0.168 20 0 GCADMP C[NH+]1C[C@@H]2CN(CCS(=O)(=O)CCN3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000933735811 1186051169 /nfs/dbraw/zinc/05/11/69/1186051169.db2.gz MVRKGPKMTHNTCU-JVSBHGNQSA-N 2 1 398.617 0.168 20 0 GCADMP C[NH+]1C[C@@H]2CN(CCS(=O)(=O)CCN3C[C@@H]4C[N@@H+](C)C[C@]4(C)C3)C[C@]2(C)C1 ZINC000933735811 1186051177 /nfs/dbraw/zinc/05/11/77/1186051177.db2.gz MVRKGPKMTHNTCU-JVSBHGNQSA-N 2 1 398.617 0.168 20 0 GCADMP C[N@@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000891823480 1186062721 /nfs/dbraw/zinc/06/27/21/1186062721.db2.gz ABAPGPFQELYSNF-RBUKOAKNSA-N 2 1 385.512 0.920 20 0 GCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000891823480 1186062726 /nfs/dbraw/zinc/06/27/26/1186062726.db2.gz ABAPGPFQELYSNF-RBUKOAKNSA-N 2 1 385.512 0.920 20 0 GCADMP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000891823478 1186063264 /nfs/dbraw/zinc/06/32/64/1186063264.db2.gz ABAPGPFQELYSNF-OALUTQOASA-N 2 1 385.512 0.920 20 0 GCADMP C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000891823478 1186063269 /nfs/dbraw/zinc/06/32/69/1186063269.db2.gz ABAPGPFQELYSNF-OALUTQOASA-N 2 1 385.512 0.920 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000430959148 1186067255 /nfs/dbraw/zinc/06/72/55/1186067255.db2.gz WTRSVFUTPGPLQX-IAGOWNOFSA-N 2 1 394.541 0.497 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000430959148 1186067258 /nfs/dbraw/zinc/06/72/58/1186067258.db2.gz WTRSVFUTPGPLQX-IAGOWNOFSA-N 2 1 394.541 0.497 20 0 GCADMP CC[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000562947784 1186068263 /nfs/dbraw/zinc/06/82/63/1186068263.db2.gz SBBTYGZWVZVIIJ-ROUUACIJSA-N 2 1 380.533 0.642 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000933847363 1186108612 /nfs/dbraw/zinc/10/86/12/1186108612.db2.gz JUSMNUSJTDAQNJ-QGZVFWFLSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000933847363 1186108617 /nfs/dbraw/zinc/10/86/17/1186108617.db2.gz JUSMNUSJTDAQNJ-QGZVFWFLSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000933847363 1186108626 /nfs/dbraw/zinc/10/86/26/1186108626.db2.gz JUSMNUSJTDAQNJ-QGZVFWFLSA-N 2 1 379.549 0.073 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[NH+]3CCC(C)(C)C3)CC2)C1 ZINC000933847358 1186109015 /nfs/dbraw/zinc/10/90/15/1186109015.db2.gz JUSMNUSJTDAQNJ-KRWDZBQOSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000933847358 1186109019 /nfs/dbraw/zinc/10/90/19/1186109019.db2.gz JUSMNUSJTDAQNJ-KRWDZBQOSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[N@H+]3CCC(C)(C)C3)CC2)C1 ZINC000933847358 1186109033 /nfs/dbraw/zinc/10/90/33/1186109033.db2.gz JUSMNUSJTDAQNJ-KRWDZBQOSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)C[C@H]1C[NH+](C)C ZINC000933855608 1186111436 /nfs/dbraw/zinc/11/14/36/1186111436.db2.gz MSVSVBOXNNGYNX-IAGOWNOFSA-N 3 1 381.565 0.032 20 0 GCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001087181210 1186117445 /nfs/dbraw/zinc/11/74/45/1186117445.db2.gz GOSFHBOTPZFUJR-ZAWLATJESA-N 2 1 390.528 0.821 20 0 GCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](C[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001087181210 1186117449 /nfs/dbraw/zinc/11/74/49/1186117449.db2.gz GOSFHBOTPZFUJR-ZAWLATJESA-N 2 1 390.528 0.821 20 0 GCADMP COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000684574428 1186172979 /nfs/dbraw/zinc/17/29/79/1186172979.db2.gz XPLRVOPVQFDADF-INIZCTEOSA-N 2 1 387.550 0.451 20 0 GCADMP COCC[N@H+]1CCC[C@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000684574428 1186172982 /nfs/dbraw/zinc/17/29/82/1186172982.db2.gz XPLRVOPVQFDADF-INIZCTEOSA-N 2 1 387.550 0.451 20 0 GCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000458160738 1186209744 /nfs/dbraw/zinc/20/97/44/1186209744.db2.gz GUEAHAGWQYTJCJ-ZWKOTPCHSA-N 2 1 380.533 0.548 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000458160738 1186209752 /nfs/dbraw/zinc/20/97/52/1186209752.db2.gz GUEAHAGWQYTJCJ-ZWKOTPCHSA-N 2 1 380.533 0.548 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458239240 1186218190 /nfs/dbraw/zinc/21/81/90/1186218190.db2.gz ZBBPPBOJPJJHCD-SJORKVTESA-N 2 1 383.537 0.075 20 0 GCADMP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)[N@@H+](C)C1CC1 ZINC001707907334 1186244952 /nfs/dbraw/zinc/24/49/52/1186244952.db2.gz VZZYSYNUGUMABH-INIZCTEOSA-N 2 1 389.548 0.814 20 0 GCADMP CCCCNC(=O)[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000065189151 1186258747 /nfs/dbraw/zinc/25/87/47/1186258747.db2.gz RVWTWEPSHZLGGH-HNNXBMFYSA-N 2 1 379.505 0.588 20 0 GCADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000065189151 1186258753 /nfs/dbraw/zinc/25/87/53/1186258753.db2.gz RVWTWEPSHZLGGH-HNNXBMFYSA-N 2 1 379.505 0.588 20 0 GCADMP Cc1nnc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001707915477 1186272734 /nfs/dbraw/zinc/27/27/34/1186272734.db2.gz QMOKVFNVXLDYSQ-GOSISDBHSA-N 2 1 392.548 0.998 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000236838591 1186291623 /nfs/dbraw/zinc/29/16/23/1186291623.db2.gz ZGRRWRMCTAFUKL-IRXDYDNUSA-N 2 1 380.533 0.676 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000642893341 1186296604 /nfs/dbraw/zinc/29/66/04/1186296604.db2.gz IBSSVGTYSUOOIN-INIZCTEOSA-N 2 1 393.557 0.269 20 0 GCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154633 1186313721 /nfs/dbraw/zinc/31/37/21/1186313721.db2.gz RMBPIUSUDRGUSR-GOSISDBHSA-N 2 1 388.512 0.578 20 0 GCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154633 1186313728 /nfs/dbraw/zinc/31/37/28/1186313728.db2.gz RMBPIUSUDRGUSR-GOSISDBHSA-N 2 1 388.512 0.578 20 0 GCADMP O=C1CC[NH+](CCOCC[N@H+]2CCCCCNC(=O)CC2)CCCCCN1 ZINC000934155808 1186317138 /nfs/dbraw/zinc/31/71/38/1186317138.db2.gz WVRQUMCKXFDZKN-UHFFFAOYSA-N 2 1 382.549 0.987 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000582017982 1186372047 /nfs/dbraw/zinc/37/20/47/1186372047.db2.gz NDQMTMYPHPMKOA-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000582017982 1186372052 /nfs/dbraw/zinc/37/20/52/1186372052.db2.gz NDQMTMYPHPMKOA-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)[C@H](C[NH3+])C1 ZINC000582052986 1186384542 /nfs/dbraw/zinc/38/45/42/1186384542.db2.gz ZATTZLGCMLBGMQ-UXLLHSPISA-N 2 1 393.557 0.349 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000559447575 1186386334 /nfs/dbraw/zinc/38/63/34/1186386334.db2.gz SCVHPQZCGOENNZ-UHFFFAOYSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934260841 1186387659 /nfs/dbraw/zinc/38/76/59/1186387659.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934260841 1186387665 /nfs/dbraw/zinc/38/76/65/1186387665.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934260841 1186387672 /nfs/dbraw/zinc/38/76/72/1186387672.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000934260841 1186387677 /nfs/dbraw/zinc/38/76/77/1186387677.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000934260841 1186387684 /nfs/dbraw/zinc/38/76/84/1186387684.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260841 1186387687 /nfs/dbraw/zinc/38/76/87/1186387687.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934260841 1186387697 /nfs/dbraw/zinc/38/76/97/1186387697.db2.gz BYBIVWJZEVZJDN-TWGBQZSLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934260835 1186387931 /nfs/dbraw/zinc/38/79/31/1186387931.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934260835 1186387937 /nfs/dbraw/zinc/38/79/37/1186387937.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934260835 1186387943 /nfs/dbraw/zinc/38/79/43/1186387943.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000934260835 1186387950 /nfs/dbraw/zinc/38/79/50/1186387950.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000934260835 1186387957 /nfs/dbraw/zinc/38/79/57/1186387957.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260835 1186387962 /nfs/dbraw/zinc/38/79/62/1186387962.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934260835 1186387969 /nfs/dbraw/zinc/38/79/69/1186387969.db2.gz BYBIVWJZEVZJDN-OQEHDIDLSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934260838 1186388001 /nfs/dbraw/zinc/38/80/01/1186388001.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934260838 1186388005 /nfs/dbraw/zinc/38/80/05/1186388005.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934260838 1186388012 /nfs/dbraw/zinc/38/80/12/1186388012.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000934260838 1186388017 /nfs/dbraw/zinc/38/80/17/1186388017.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000934260838 1186388026 /nfs/dbraw/zinc/38/80/26/1186388026.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934260838 1186388033 /nfs/dbraw/zinc/38/80/33/1186388033.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934260838 1186388040 /nfs/dbraw/zinc/38/80/40/1186388040.db2.gz BYBIVWJZEVZJDN-PVIWCNJMSA-N 2 1 394.604 0.827 20 0 GCADMP OCCN1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934261310 1186388746 /nfs/dbraw/zinc/38/87/46/1186388746.db2.gz DZURJUHNFVDESR-LRSLUSHPSA-N 2 1 394.604 0.829 20 0 GCADMP OCCN1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934261310 1186388755 /nfs/dbraw/zinc/38/87/55/1186388755.db2.gz DZURJUHNFVDESR-LRSLUSHPSA-N 2 1 394.604 0.829 20 0 GCADMP OCCN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC[NH+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934261310 1186388764 /nfs/dbraw/zinc/38/87/64/1186388764.db2.gz DZURJUHNFVDESR-LRSLUSHPSA-N 2 1 394.604 0.829 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000152127768 1186403775 /nfs/dbraw/zinc/40/37/75/1186403775.db2.gz YLCIVVORGUHHGJ-QGZVFWFLSA-N 2 1 381.565 0.813 20 0 GCADMP CC[C@@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001709321743 1186419540 /nfs/dbraw/zinc/41/95/40/1186419540.db2.gz GIWIQVFGQQTYSY-GOSISDBHSA-N 2 1 380.537 0.856 20 0 GCADMP CC[C@@H]1CN(c2nnc(C)n2CCC[NH+]2CCOCC2)CC[N@H+]1CCOC ZINC001709321743 1186419542 /nfs/dbraw/zinc/41/95/42/1186419542.db2.gz GIWIQVFGQQTYSY-GOSISDBHSA-N 2 1 380.537 0.856 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CCOC ZINC000582137082 1186432148 /nfs/dbraw/zinc/43/21/48/1186432148.db2.gz USPHZRIHFTWGGK-IBGZPJMESA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1CCOC ZINC000582137082 1186432156 /nfs/dbraw/zinc/43/21/56/1186432156.db2.gz USPHZRIHFTWGGK-IBGZPJMESA-N 2 1 394.560 0.936 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195543 1186460560 /nfs/dbraw/zinc/46/05/60/1186460560.db2.gz HNYGUTXRDHYRLU-ZWKOTPCHSA-N 2 1 381.565 0.367 20 0 GCADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000892220557 1186463217 /nfs/dbraw/zinc/46/32/17/1186463217.db2.gz HDQPNVUUEISDGB-UHFFFAOYSA-N 2 1 376.501 0.694 20 0 GCADMP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231731 1186475594 /nfs/dbraw/zinc/47/55/94/1186475594.db2.gz BFVAERSBBDMXFZ-NYXISSTPSA-N 2 1 395.504 0.061 20 0 GCADMP C[C@@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231731 1186475598 /nfs/dbraw/zinc/47/55/98/1186475598.db2.gz BFVAERSBBDMXFZ-NYXISSTPSA-N 2 1 395.504 0.061 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000582257561 1186476516 /nfs/dbraw/zinc/47/65/16/1186476516.db2.gz FWXDRCBDAOCKQM-MSOLQXFVSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCOCC1 ZINC000582257561 1186476519 /nfs/dbraw/zinc/47/65/19/1186476519.db2.gz FWXDRCBDAOCKQM-MSOLQXFVSA-N 2 1 382.549 0.698 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582360841 1186503519 /nfs/dbraw/zinc/50/35/19/1186503519.db2.gz UGINYCKWRGDATH-IRXDYDNUSA-N 2 1 394.541 0.314 20 0 GCADMP CC(C)[C@H]1CN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC[N@H+]1C ZINC000582407581 1186523546 /nfs/dbraw/zinc/52/35/46/1186523546.db2.gz MRKAHRSTFXHFQZ-GOSISDBHSA-N 2 1 381.565 0.765 20 0 GCADMP CC1(C)C[N@H+](C2(CNC(=O)NCC(=O)N3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000582409637 1186523793 /nfs/dbraw/zinc/52/37/93/1186523793.db2.gz COLVRYHLPZSGQQ-UHFFFAOYSA-N 2 1 395.548 0.531 20 0 GCADMP CN1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[N@@H+](C)CC1 ZINC000888980481 1186567204 /nfs/dbraw/zinc/56/72/04/1186567204.db2.gz DOUIDILQMPSCEO-UHFFFAOYSA-N 2 1 388.516 0.623 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582595609 1186578671 /nfs/dbraw/zinc/57/86/71/1186578671.db2.gz OKWMSHCDMPKENI-MSOLQXFVSA-N 2 1 377.533 0.928 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@@H](C[NH3+])C1 ZINC000582600499 1186580899 /nfs/dbraw/zinc/58/08/99/1186580899.db2.gz TVGJGZSMCOABEC-UGKGYDQZSA-N 2 1 399.539 0.212 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619964 1186588275 /nfs/dbraw/zinc/58/82/75/1186588275.db2.gz MDGOPSVECKZIIK-JZXOWHBKSA-N 2 1 379.549 0.116 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788236 1186610264 /nfs/dbraw/zinc/61/02/64/1186610264.db2.gz ZXXJNDWNXPBUEP-UXHICEINSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277788236 1186610266 /nfs/dbraw/zinc/61/02/66/1186610266.db2.gz ZXXJNDWNXPBUEP-UXHICEINSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277788236 1186610267 /nfs/dbraw/zinc/61/02/67/1186610267.db2.gz ZXXJNDWNXPBUEP-UXHICEINSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788230 1186610580 /nfs/dbraw/zinc/61/05/80/1186610580.db2.gz ZXXJNDWNXPBUEP-PMACEKPBSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277788230 1186610583 /nfs/dbraw/zinc/61/05/83/1186610583.db2.gz ZXXJNDWNXPBUEP-PMACEKPBSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277788230 1186610588 /nfs/dbraw/zinc/61/05/88/1186610588.db2.gz ZXXJNDWNXPBUEP-PMACEKPBSA-N 2 1 389.544 0.823 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCCC[C@@H]1C ZINC000582701989 1186616812 /nfs/dbraw/zinc/61/68/12/1186616812.db2.gz WTXWPGQABFZAHM-HOTGVXAUSA-N 2 1 390.532 1.467 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000079670333 1186680437 /nfs/dbraw/zinc/68/04/37/1186680437.db2.gz HISJFFVSHCUVGI-IAGOWNOFSA-N 2 1 380.533 0.546 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000121562939 1186738714 /nfs/dbraw/zinc/73/87/14/1186738714.db2.gz DLFFQZKFZXWOOZ-NRFANRHFSA-N 2 1 391.560 0.936 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000583041577 1186755477 /nfs/dbraw/zinc/75/54/77/1186755477.db2.gz IWVIZRNQFNASQU-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000153874622 1186772735 /nfs/dbraw/zinc/77/27/35/1186772735.db2.gz DZRGMBQDQVNAGE-HOJAQTOUSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000153874622 1186772739 /nfs/dbraw/zinc/77/27/39/1186772739.db2.gz DZRGMBQDQVNAGE-HOJAQTOUSA-N 2 1 390.528 0.889 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685082830 1186776042 /nfs/dbraw/zinc/77/60/42/1186776042.db2.gz VZGMTFNIVPIFIK-WMZOPIPTSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685082830 1186776043 /nfs/dbraw/zinc/77/60/43/1186776043.db2.gz VZGMTFNIVPIFIK-WMZOPIPTSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000657738238 1186786646 /nfs/dbraw/zinc/78/66/46/1186786646.db2.gz WUWPRKPSCYMKOU-SFHVURJKSA-N 2 1 379.549 0.025 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000657738238 1186786649 /nfs/dbraw/zinc/78/66/49/1186786649.db2.gz WUWPRKPSCYMKOU-SFHVURJKSA-N 2 1 379.549 0.025 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cn(C)c(=O)cc1C ZINC000124650530 1186799954 /nfs/dbraw/zinc/79/99/54/1186799954.db2.gz FCSWLFYGQMOUHB-INIZCTEOSA-N 2 1 391.516 0.507 20 0 GCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155669091 1186821702 /nfs/dbraw/zinc/82/17/02/1186821702.db2.gz IRMMSPKMFVBZJK-CYBMUJFWSA-N 2 1 379.427 0.476 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125426 1186835533 /nfs/dbraw/zinc/83/55/33/1186835533.db2.gz MNTBAZAYHDWNRM-JENIJYKNSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125426 1186835537 /nfs/dbraw/zinc/83/55/37/1186835537.db2.gz MNTBAZAYHDWNRM-JENIJYKNSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000685125426 1186835541 /nfs/dbraw/zinc/83/55/41/1186835541.db2.gz MNTBAZAYHDWNRM-JENIJYKNSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000685125426 1186835545 /nfs/dbraw/zinc/83/55/45/1186835545.db2.gz MNTBAZAYHDWNRM-JENIJYKNSA-N 2 1 390.528 0.849 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000583391581 1186842825 /nfs/dbraw/zinc/84/28/25/1186842825.db2.gz ZGSKEPZMRZFSPK-INIZCTEOSA-N 2 1 386.562 0.333 20 0 GCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583412246 1186848344 /nfs/dbraw/zinc/84/83/44/1186848344.db2.gz WYBXVEWNGQEWRM-OAHLLOKOSA-N 2 1 378.521 1.325 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000458562812 1186872277 /nfs/dbraw/zinc/87/22/77/1186872277.db2.gz YLIALROZAZGRGB-FHWLQOOXSA-N 2 1 382.549 0.900 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583513660 1186876166 /nfs/dbraw/zinc/87/61/66/1186876166.db2.gz QFLHBTUSVIGCCE-HDICACEKSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000128258486 1186885290 /nfs/dbraw/zinc/88/52/90/1186885290.db2.gz XYDQYKDPCNZIGG-XLIONFOSSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158423 1186891444 /nfs/dbraw/zinc/89/14/44/1186891444.db2.gz UQKNNICZTZXOTC-VQIMIIECSA-N 2 1 398.573 0.634 20 0 GCADMP C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158423 1186891446 /nfs/dbraw/zinc/89/14/46/1186891446.db2.gz UQKNNICZTZXOTC-VQIMIIECSA-N 2 1 398.573 0.634 20 0 GCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000458605482 1186895815 /nfs/dbraw/zinc/89/58/15/1186895815.db2.gz WVDLTZCDHHMPIR-UHFFFAOYSA-N 2 1 382.597 0.728 20 0 GCADMP COC(=O)Cn1cc(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nn1 ZINC000158103905 1186959767 /nfs/dbraw/zinc/95/97/67/1186959767.db2.gz MDOIEEHDPNJKMK-IYBDPMFKSA-N 2 1 379.505 0.815 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[N@H+]1C ZINC000569638122 1186971438 /nfs/dbraw/zinc/97/14/38/1186971438.db2.gz KXVMGSXCNZEHOM-ZWKOTPCHSA-N 2 1 394.560 0.984 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(Cc2noc(C)n2)nn1 ZINC000278543375 1186973521 /nfs/dbraw/zinc/97/35/21/1186973521.db2.gz CUOVDWUZPHKNCT-OAHLLOKOSA-N 2 1 390.492 0.506 20 0 GCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005910 1186978858 /nfs/dbraw/zinc/97/88/58/1186978858.db2.gz OSISKPVTTLEBLE-BFYDXBDKSA-N 2 1 391.541 0.914 20 0 GCADMP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458768229 1186982588 /nfs/dbraw/zinc/98/25/88/1186982588.db2.gz DXBVIAOWOWSCHH-QGZVFWFLSA-N 2 1 379.505 0.668 20 0 GCADMP C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC1 ZINC000635518955 1187011891 /nfs/dbraw/zinc/01/18/91/1187011891.db2.gz ZPUZWIHNATWSRL-CQSZACIVSA-N 2 1 375.473 0.442 20 0 GCADMP CC1(C)CC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000892374153 1187017701 /nfs/dbraw/zinc/01/77/01/1187017701.db2.gz AWHGNKZNHXYVID-QZTJIDSGSA-N 2 1 381.565 0.860 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611823046 1187035993 /nfs/dbraw/zinc/03/59/93/1187035993.db2.gz MRAJXJNOMNTLOS-QZTJIDSGSA-N 2 1 378.517 0.489 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000564749611 1187040930 /nfs/dbraw/zinc/04/09/30/1187040930.db2.gz JEXFCLHGVHLTJA-IBGZPJMESA-N 2 1 395.592 0.709 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000564749611 1187040933 /nfs/dbraw/zinc/04/09/33/1187040933.db2.gz JEXFCLHGVHLTJA-IBGZPJMESA-N 2 1 395.592 0.709 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000564749611 1187040935 /nfs/dbraw/zinc/04/09/35/1187040935.db2.gz JEXFCLHGVHLTJA-IBGZPJMESA-N 2 1 395.592 0.709 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000375748616 1187059197 /nfs/dbraw/zinc/05/91/97/1187059197.db2.gz IPLWKQYLPCLQHN-HOTGVXAUSA-N 2 1 390.532 1.325 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)C2)CC1 ZINC000584456007 1187070768 /nfs/dbraw/zinc/07/07/68/1187070768.db2.gz XXXAEIVOQIEGNX-SFHVURJKSA-N 2 1 379.549 0.166 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)O1 ZINC001211623413 1187097644 /nfs/dbraw/zinc/09/76/44/1187097644.db2.gz FVONBFWTSXLOOG-GSEOLPGOSA-N 2 1 391.512 0.299 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCOCCO)C2)O1 ZINC001211623413 1187097652 /nfs/dbraw/zinc/09/76/52/1187097652.db2.gz FVONBFWTSXLOOG-GSEOLPGOSA-N 2 1 391.512 0.299 20 0 GCADMP COCCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000685330882 1187099120 /nfs/dbraw/zinc/09/91/20/1187099120.db2.gz IVWGVKDJYJOCIL-KRWDZBQOSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC1(CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000685330882 1187099125 /nfs/dbraw/zinc/09/91/25/1187099125.db2.gz IVWGVKDJYJOCIL-KRWDZBQOSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336840 1187101822 /nfs/dbraw/zinc/10/18/22/1187101822.db2.gz RKEWBCOLOJCKEP-FCGDIQPGSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H]1C[NH+](C)CCO1 ZINC000685336840 1187101828 /nfs/dbraw/zinc/10/18/28/1187101828.db2.gz RKEWBCOLOJCKEP-FCGDIQPGSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685336840 1187101831 /nfs/dbraw/zinc/10/18/31/1187101831.db2.gz RKEWBCOLOJCKEP-FCGDIQPGSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336840 1187101834 /nfs/dbraw/zinc/10/18/34/1187101834.db2.gz RKEWBCOLOJCKEP-FCGDIQPGSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685338994 1187102556 /nfs/dbraw/zinc/10/25/56/1187102556.db2.gz BPMPKPVKEDTQHZ-WDSOQIARSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685338994 1187102560 /nfs/dbraw/zinc/10/25/60/1187102560.db2.gz BPMPKPVKEDTQHZ-WDSOQIARSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338994 1187102565 /nfs/dbraw/zinc/10/25/65/1187102565.db2.gz BPMPKPVKEDTQHZ-WDSOQIARSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338994 1187102568 /nfs/dbraw/zinc/10/25/68/1187102568.db2.gz BPMPKPVKEDTQHZ-WDSOQIARSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338136 1187106687 /nfs/dbraw/zinc/10/66/87/1187106687.db2.gz AZQONMBUGKFLKL-QAPCUYQASA-N 2 1 376.501 0.242 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338136 1187106691 /nfs/dbraw/zinc/10/66/91/1187106691.db2.gz AZQONMBUGKFLKL-QAPCUYQASA-N 2 1 376.501 0.242 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685342878 1187107731 /nfs/dbraw/zinc/10/77/31/1187107731.db2.gz JXCPQIHJVRUROK-IPMKNSEASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342878 1187107735 /nfs/dbraw/zinc/10/77/35/1187107735.db2.gz JXCPQIHJVRUROK-IPMKNSEASA-N 2 1 394.560 0.936 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000685342872 1187107774 /nfs/dbraw/zinc/10/77/74/1187107774.db2.gz JUWPNKPQPUQVBN-LPHOPBHVSA-N 2 1 390.528 0.932 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342872 1187107778 /nfs/dbraw/zinc/10/77/78/1187107778.db2.gz JUWPNKPQPUQVBN-LPHOPBHVSA-N 2 1 390.528 0.932 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685342875 1187107821 /nfs/dbraw/zinc/10/78/21/1187107821.db2.gz JUWPNKPQPUQVBN-VQIMIIECSA-N 2 1 390.528 0.932 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685342875 1187107822 /nfs/dbraw/zinc/10/78/22/1187107822.db2.gz JUWPNKPQPUQVBN-VQIMIIECSA-N 2 1 390.528 0.932 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342487 1187108118 /nfs/dbraw/zinc/10/81/18/1187108118.db2.gz YWNCWSRDCGSIAW-ZBFHGGJFSA-N 2 1 382.530 0.474 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342487 1187108121 /nfs/dbraw/zinc/10/81/21/1187108121.db2.gz YWNCWSRDCGSIAW-ZBFHGGJFSA-N 2 1 382.530 0.474 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342051 1187108226 /nfs/dbraw/zinc/10/82/26/1187108226.db2.gz XEYMXNPRMRTCNN-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342051 1187108229 /nfs/dbraw/zinc/10/82/29/1187108229.db2.gz XEYMXNPRMRTCNN-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP CN(C(=O)C(=O)NCCCOC(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685508413 1187138602 /nfs/dbraw/zinc/13/86/02/1187138602.db2.gz WQDKLTMVRHOZQZ-AWEZNQCLSA-N 2 1 376.448 0.359 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685520417 1187143658 /nfs/dbraw/zinc/14/36/58/1187143658.db2.gz VLYYSVMEFHLMPW-ZWKOTPCHSA-N 2 1 394.560 0.794 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584460294 1187161796 /nfs/dbraw/zinc/16/17/96/1187161796.db2.gz VYJNIPDMNVBEAN-CALCHBBNSA-N 2 1 398.548 0.219 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000584460294 1187161799 /nfs/dbraw/zinc/16/17/99/1187161799.db2.gz VYJNIPDMNVBEAN-CALCHBBNSA-N 2 1 398.548 0.219 20 0 GCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023969130 1187201320 /nfs/dbraw/zinc/20/13/20/1187201320.db2.gz GBBYICNJSXAMJH-QBPKDAKJSA-N 2 1 391.516 0.425 20 0 GCADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023969130 1187201323 /nfs/dbraw/zinc/20/13/23/1187201323.db2.gz GBBYICNJSXAMJH-QBPKDAKJSA-N 2 1 391.516 0.425 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccc4c[nH+]cn4c3)C[C@H]2O)CC[N@H+]1C ZINC001023979430 1187211569 /nfs/dbraw/zinc/21/15/69/1187211569.db2.gz YIIPTGPCSHOHEP-BSDSXHPESA-N 2 1 385.468 0.366 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2O)CC[N@H+]1C ZINC001023979338 1187211759 /nfs/dbraw/zinc/21/17/59/1187211759.db2.gz VFYAGEZWPXUXQZ-BSDSXHPESA-N 2 1 380.533 0.281 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2O)CC[N@H+]1C ZINC001023980656 1187213032 /nfs/dbraw/zinc/21/30/32/1187213032.db2.gz YGQYYGPDOANGTN-BSDSXHPESA-N 2 1 380.533 0.137 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000685683310 1187220006 /nfs/dbraw/zinc/22/00/06/1187220006.db2.gz HBRYWQVMKVVCMN-QGZVFWFLSA-N 2 1 396.557 0.839 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000685683318 1187220270 /nfs/dbraw/zinc/22/02/70/1187220270.db2.gz IJZGPGAAKPJICN-MRXNPFEDSA-N 2 1 397.545 0.234 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000635691184 1187226346 /nfs/dbraw/zinc/22/63/46/1187226346.db2.gz WERJLZYZDZTGGB-LJQANCHMSA-N 2 1 375.513 0.880 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000612046030 1187245202 /nfs/dbraw/zinc/24/52/02/1187245202.db2.gz XWSGDMCAKPYCHY-FGTMMUONSA-N 2 1 378.517 0.489 20 0 GCADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000658104284 1187246055 /nfs/dbraw/zinc/24/60/55/1187246055.db2.gz VHGYCWRMJLNKCR-SFHVURJKSA-N 2 1 392.544 0.644 20 0 GCADMP Cn1cc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)NC(=O)[C@@H]2CCCC[NH+]2C)cn1 ZINC000635725232 1187318536 /nfs/dbraw/zinc/31/85/36/1187318536.db2.gz KYWDQIDQIMACDV-SQNIBIBYSA-N 2 1 390.532 0.662 20 0 GCADMP Cn1cc([C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000635725232 1187318540 /nfs/dbraw/zinc/31/85/40/1187318540.db2.gz KYWDQIDQIMACDV-SQNIBIBYSA-N 2 1 390.532 0.662 20 0 GCADMP Cn1cc([C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C)NC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000635725232 1187318543 /nfs/dbraw/zinc/31/85/43/1187318543.db2.gz KYWDQIDQIMACDV-SQNIBIBYSA-N 2 1 390.532 0.662 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000658649614 1187398480 /nfs/dbraw/zinc/39/84/80/1187398480.db2.gz PIZWZEILZIPMQW-OAHLLOKOSA-N 2 1 376.505 0.906 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cn1 ZINC000658649612 1187398674 /nfs/dbraw/zinc/39/86/74/1187398674.db2.gz PIZWZEILZIPMQW-HNNXBMFYSA-N 2 1 376.505 0.906 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732074 1187433725 /nfs/dbraw/zinc/43/37/25/1187433725.db2.gz XLRLHFDWKUUNMW-RBUKOAKNSA-N 2 1 391.560 0.312 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000658777153 1187457452 /nfs/dbraw/zinc/45/74/52/1187457452.db2.gz AAPMAUISSMFVFE-INIZCTEOSA-N 2 1 375.473 0.726 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000658777153 1187457453 /nfs/dbraw/zinc/45/74/53/1187457453.db2.gz AAPMAUISSMFVFE-INIZCTEOSA-N 2 1 375.473 0.726 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612442989 1187491845 /nfs/dbraw/zinc/49/18/45/1187491845.db2.gz BATMPEWWXPLESY-QZTJIDSGSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612442989 1187491847 /nfs/dbraw/zinc/49/18/47/1187491847.db2.gz BATMPEWWXPLESY-QZTJIDSGSA-N 2 1 392.544 0.690 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465590 1187499198 /nfs/dbraw/zinc/49/91/98/1187499198.db2.gz OVWMANYTJKZQDH-KSTCHIGDSA-N 2 1 378.439 0.830 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465590 1187499200 /nfs/dbraw/zinc/49/92/00/1187499200.db2.gz OVWMANYTJKZQDH-KSTCHIGDSA-N 2 1 378.439 0.830 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465590 1187499204 /nfs/dbraw/zinc/49/92/04/1187499204.db2.gz OVWMANYTJKZQDH-KSTCHIGDSA-N 2 1 378.439 0.830 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000612481832 1187504790 /nfs/dbraw/zinc/50/47/90/1187504790.db2.gz FWXGHMMLUYTXQW-ZWKOTPCHSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000612486797 1187506404 /nfs/dbraw/zinc/50/64/04/1187506404.db2.gz RJFDYLSDHDLWSI-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548948 1187520173 /nfs/dbraw/zinc/52/01/73/1187520173.db2.gz UGKNCXROZNJRMB-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548948 1187520175 /nfs/dbraw/zinc/52/01/75/1187520175.db2.gz UGKNCXROZNJRMB-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548948 1187520178 /nfs/dbraw/zinc/52/01/78/1187520178.db2.gz UGKNCXROZNJRMB-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000612548948 1187520180 /nfs/dbraw/zinc/52/01/80/1187520180.db2.gz UGKNCXROZNJRMB-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000612548952 1187520265 /nfs/dbraw/zinc/52/02/65/1187520265.db2.gz UGKNCXROZNJRMB-ZJPYXAASSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000612548952 1187520267 /nfs/dbraw/zinc/52/02/67/1187520267.db2.gz UGKNCXROZNJRMB-ZJPYXAASSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000612546408 1187522209 /nfs/dbraw/zinc/52/22/09/1187522209.db2.gz SFLBTYNBSSNCFD-SFHVURJKSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822557 1187529360 /nfs/dbraw/zinc/52/93/60/1187529360.db2.gz UHTFSQUDFQIMGL-KZNAEPCWSA-N 2 1 380.533 0.282 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612601296 1187539321 /nfs/dbraw/zinc/53/93/21/1187539321.db2.gz PDFKPRLKZKOBSH-LJQANCHMSA-N 2 1 394.560 0.935 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+](C)C1 ZINC000413907989 1187577826 /nfs/dbraw/zinc/57/78/26/1187577826.db2.gz UFDXQDUDLFZARZ-QGZVFWFLSA-N 2 1 389.500 0.157 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000612776336 1187579321 /nfs/dbraw/zinc/57/93/21/1187579321.db2.gz MCTQRTCFAKPSLE-MRXNPFEDSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000612776336 1187579326 /nfs/dbraw/zinc/57/93/26/1187579326.db2.gz MCTQRTCFAKPSLE-MRXNPFEDSA-N 2 1 394.560 0.528 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612773691 1187581043 /nfs/dbraw/zinc/58/10/43/1187581043.db2.gz ZJVVYSLAGCVRAS-UHFFFAOYSA-N 2 1 394.560 0.794 20 0 GCADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376077563 1187588894 /nfs/dbraw/zinc/58/88/94/1187588894.db2.gz BHGGSOQXGXCMRJ-INIZCTEOSA-N 2 1 395.548 0.434 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376077563 1187588896 /nfs/dbraw/zinc/58/88/96/1187588896.db2.gz BHGGSOQXGXCMRJ-INIZCTEOSA-N 2 1 395.548 0.434 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880792 1187611157 /nfs/dbraw/zinc/61/11/57/1187611157.db2.gz JYQBCUQAULKCFT-HZPDHXFCSA-N 2 1 387.532 0.945 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1ccc(C[NH3+])cc1=N ZINC001167691669 1187613409 /nfs/dbraw/zinc/61/34/09/1187613409.db2.gz QAAFYBDPWZCHGW-OAHLLOKOSA-N 2 1 387.484 0.916 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000892535132 1187710909 /nfs/dbraw/zinc/71/09/09/1187710909.db2.gz ATKWGRMVDXHUNR-RBUKOAKNSA-N 2 1 376.501 0.955 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000892535132 1187710911 /nfs/dbraw/zinc/71/09/11/1187710911.db2.gz ATKWGRMVDXHUNR-RBUKOAKNSA-N 2 1 376.501 0.955 20 0 GCADMP COCC[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000376257732 1187728458 /nfs/dbraw/zinc/72/84/58/1187728458.db2.gz ZHTAISVCRQHPGK-AYHJJNSGSA-N 2 1 395.548 0.480 20 0 GCADMP C[C@]1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC[N@H+]1Cc1ccccc1 ZINC000570868911 1187730190 /nfs/dbraw/zinc/73/01/90/1187730190.db2.gz ZHMHIPOYLGZBAG-LVCYWYKZSA-N 2 1 385.512 0.995 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000376343973 1187779203 /nfs/dbraw/zinc/77/92/03/1187779203.db2.gz MOEXQEFSAJWDPP-RBUKOAKNSA-N 2 1 398.548 0.618 20 0 GCADMP CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+]1C[C@@H](C)O ZINC000332866441 1187798403 /nfs/dbraw/zinc/79/84/03/1187798403.db2.gz NFPWTJJBMOQNSN-NXWXRZEISA-N 2 1 382.549 0.851 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)CC2)C1 ZINC000332923844 1187819189 /nfs/dbraw/zinc/81/91/89/1187819189.db2.gz GHURTJAWKYEQOY-QYZOEREBSA-N 2 1 381.565 0.906 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000658989658 1187831941 /nfs/dbraw/zinc/83/19/41/1187831941.db2.gz KWIUCJTZCDOASC-UHFFFAOYSA-N 2 1 387.484 0.956 20 0 GCADMP O=C1c2ccccc2C(=O)N1C[C@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000647522902 1187833533 /nfs/dbraw/zinc/83/35/33/1187833533.db2.gz UJSLOYOURWFHEO-HZPDHXFCSA-N 2 1 375.469 0.470 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)C[C@H](C)O1 ZINC000658993224 1187833590 /nfs/dbraw/zinc/83/35/90/1187833590.db2.gz IXRAWMYAAIFPMH-SCTDSRPQSA-N 2 1 392.544 0.641 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000659096729 1187877490 /nfs/dbraw/zinc/87/74/90/1187877490.db2.gz GPKRMZFZDQPZHO-UHFFFAOYSA-N 2 1 375.473 0.208 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3([NH3+])CCCC3)cc2)CC1 ZINC000659100433 1187878221 /nfs/dbraw/zinc/87/82/21/1187878221.db2.gz STKYBYWTLDYYPB-UHFFFAOYSA-N 2 1 387.484 0.400 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000105321059 1187878864 /nfs/dbraw/zinc/87/88/64/1187878864.db2.gz LOBWZXRCBBPEDI-GUDVDZBRSA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000105321059 1187878867 /nfs/dbraw/zinc/87/88/67/1187878867.db2.gz LOBWZXRCBBPEDI-GUDVDZBRSA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000105321059 1187878870 /nfs/dbraw/zinc/87/88/70/1187878870.db2.gz LOBWZXRCBBPEDI-GUDVDZBRSA-N 2 1 393.576 0.319 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000659112778 1187889518 /nfs/dbraw/zinc/88/95/18/1187889518.db2.gz LKOKJXROXQOUKX-HNNXBMFYSA-N 2 1 389.500 0.056 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423498014 1187915716 /nfs/dbraw/zinc/91/57/16/1187915716.db2.gz AWZCDMCSUMUZDW-QZTJIDSGSA-N 2 1 381.565 0.460 20 0 GCADMP COc1ccc([C@H](CNC(=O)NCC[N@H+]2CC[C@H](O)C2)[NH+](C)C)cc1OC ZINC000636465598 1187917189 /nfs/dbraw/zinc/91/71/89/1187917189.db2.gz FNIHXMXQPALIQX-HOTGVXAUSA-N 2 1 380.489 0.672 20 0 GCADMP [NH3+]CCn1cc(C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)nn1 ZINC000659286892 1187924992 /nfs/dbraw/zinc/92/49/92/1187924992.db2.gz SGAIFOOFQHONIE-UHFFFAOYSA-N 2 1 383.456 0.776 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000659318572 1187943126 /nfs/dbraw/zinc/94/31/26/1187943126.db2.gz NHBOTNBYHMANEF-IEBWSBKVSA-N 3 1 393.576 0.414 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(C2CCCCC2)CC1 ZINC000659318729 1187943255 /nfs/dbraw/zinc/94/32/55/1187943255.db2.gz WGDLROWMGYZRFA-UHFFFAOYSA-N 2 1 381.565 0.415 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344792 1187946303 /nfs/dbraw/zinc/94/63/03/1187946303.db2.gz KVPRJRITFFEGSP-MSOLQXFVSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344792 1187946304 /nfs/dbraw/zinc/94/63/04/1187946304.db2.gz KVPRJRITFFEGSP-MSOLQXFVSA-N 2 1 379.549 0.166 20 0 GCADMP CC[C@H]1C[N@H+](C)CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647651117 1187956594 /nfs/dbraw/zinc/95/65/94/1187956594.db2.gz AGULHRDREZVVMX-ROUUACIJSA-N 2 1 380.533 0.642 20 0 GCADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000647651117 1187956597 /nfs/dbraw/zinc/95/65/97/1187956597.db2.gz AGULHRDREZVVMX-ROUUACIJSA-N 2 1 380.533 0.642 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659434067 1187956990 /nfs/dbraw/zinc/95/69/90/1187956990.db2.gz IUARJQKAGWEHLE-QZTJIDSGSA-N 2 1 391.491 0.735 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@@H]1C ZINC000659433437 1187958515 /nfs/dbraw/zinc/95/85/15/1187958515.db2.gz KDEPEKHNMBOHBJ-IMBTUZDBSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@@H]1C ZINC000659433437 1187958516 /nfs/dbraw/zinc/95/85/16/1187958516.db2.gz KDEPEKHNMBOHBJ-IMBTUZDBSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@H]1C ZINC000659433437 1187958517 /nfs/dbraw/zinc/95/85/17/1187958517.db2.gz KDEPEKHNMBOHBJ-IMBTUZDBSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@H]1C ZINC000659433437 1187958520 /nfs/dbraw/zinc/95/85/20/1187958520.db2.gz KDEPEKHNMBOHBJ-IMBTUZDBSA-N 2 1 392.544 0.375 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677113 1187995119 /nfs/dbraw/zinc/99/51/19/1187995119.db2.gz AGNYZGFQWKVMGR-DZGCQCFKSA-N 2 1 378.473 0.118 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677113 1187995120 /nfs/dbraw/zinc/99/51/20/1187995120.db2.gz AGNYZGFQWKVMGR-DZGCQCFKSA-N 2 1 378.473 0.118 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659684481 1187995887 /nfs/dbraw/zinc/99/58/87/1187995887.db2.gz IGVZMPOGRVPCLP-HNNXBMFYSA-N 2 1 376.501 0.719 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c2)CCO1 ZINC000659684481 1187995888 /nfs/dbraw/zinc/99/58/88/1187995888.db2.gz IGVZMPOGRVPCLP-HNNXBMFYSA-N 2 1 376.501 0.719 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659684650 1187996966 /nfs/dbraw/zinc/99/69/66/1187996966.db2.gz KKTTXDFYUZQZOX-CGTJXYLNSA-N 2 1 376.501 0.364 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659698398 1187999611 /nfs/dbraw/zinc/99/96/11/1187999611.db2.gz NAPKCJRQDUCQAC-AEFFLSMTSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000659698398 1187999615 /nfs/dbraw/zinc/99/96/15/1187999615.db2.gz NAPKCJRQDUCQAC-AEFFLSMTSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000659698398 1187999616 /nfs/dbraw/zinc/99/96/16/1187999616.db2.gz NAPKCJRQDUCQAC-AEFFLSMTSA-N 2 1 375.517 0.206 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659697480 1188001441 /nfs/dbraw/zinc/00/14/41/1188001441.db2.gz HYIRICDEAUDUIT-SFHVURJKSA-N 2 1 389.544 0.677 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000659697480 1188001448 /nfs/dbraw/zinc/00/14/48/1188001448.db2.gz HYIRICDEAUDUIT-SFHVURJKSA-N 2 1 389.544 0.677 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000659697480 1188001451 /nfs/dbraw/zinc/00/14/51/1188001451.db2.gz HYIRICDEAUDUIT-SFHVURJKSA-N 2 1 389.544 0.677 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000659698676 1188002866 /nfs/dbraw/zinc/00/28/66/1188002866.db2.gz HZHDFIGCFZEIGE-INIZCTEOSA-N 2 1 375.517 0.509 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659698794 1188003950 /nfs/dbraw/zinc/00/39/50/1188003950.db2.gz MKMJMVBFVFASLR-ZDUSSCGKSA-N 2 1 378.477 0.028 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659700012 1188004409 /nfs/dbraw/zinc/00/44/09/1188004409.db2.gz ZSXGMAOFAZPZGU-QGZVFWFLSA-N 2 1 387.528 0.701 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659732796 1188019656 /nfs/dbraw/zinc/01/96/56/1188019656.db2.gz OCEAAQGQQZZFTR-CALCHBBNSA-N 2 1 379.549 0.391 20 0 GCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781559 1188047990 /nfs/dbraw/zinc/04/79/90/1188047990.db2.gz CGZVHNYKNLUNQT-QZTJIDSGSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781559 1188047993 /nfs/dbraw/zinc/04/79/93/1188047993.db2.gz CGZVHNYKNLUNQT-QZTJIDSGSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000472781559 1188047996 /nfs/dbraw/zinc/04/79/96/1188047996.db2.gz CGZVHNYKNLUNQT-QZTJIDSGSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415340554 1188049061 /nfs/dbraw/zinc/04/90/61/1188049061.db2.gz FFTOKPKFBHYADA-MRXNPFEDSA-N 2 1 399.495 0.732 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000580309378 1188056497 /nfs/dbraw/zinc/05/64/97/1188056497.db2.gz UMXGPZRUBKWWRW-FGTMMUONSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000415377322 1188065348 /nfs/dbraw/zinc/06/53/48/1188065348.db2.gz FBNYQFIQZQKLAB-UHFFFAOYSA-N 2 1 389.500 0.185 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893011704 1188099711 /nfs/dbraw/zinc/09/97/11/1188099711.db2.gz MDNYKOLEISAPDG-FHWLQOOXSA-N 2 1 380.533 0.870 20 0 GCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000415604600 1188121678 /nfs/dbraw/zinc/12/16/78/1188121678.db2.gz MYWXHDLCTSCRPN-KRWDZBQOSA-N 2 1 387.484 0.110 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893052786 1188121822 /nfs/dbraw/zinc/12/18/22/1188121822.db2.gz HCMIQFBKSPJMPX-IBGZPJMESA-N 2 1 379.549 0.709 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691488 1188137462 /nfs/dbraw/zinc/13/74/62/1188137462.db2.gz VSCLGVGSRRPXPD-XYJFISCASA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@H](C)[NH+](C)C[C@@H]3C)n2)[C@@H](C)C[N@H+]1C ZINC000893077652 1188138273 /nfs/dbraw/zinc/13/82/73/1188138273.db2.gz BNDXWAVQYVAKMK-QPSCCSFWSA-N 2 1 375.521 0.633 20 0 GCADMP C[C@@H]1CN(c2cc(C(N)=O)nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)n2)[C@@H](C)C[NH+]1C ZINC000893077652 1188138277 /nfs/dbraw/zinc/13/82/77/1188138277.db2.gz BNDXWAVQYVAKMK-QPSCCSFWSA-N 2 1 375.521 0.633 20 0 GCADMP C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@](C)(F)C3)cn2)CC1 ZINC000415780179 1188163420 /nfs/dbraw/zinc/16/34/20/1188163420.db2.gz KEPSYJOPELPHKL-IBGZPJMESA-N 2 1 393.463 0.653 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000472915282 1189384342 /nfs/dbraw/zinc/38/43/42/1189384342.db2.gz RKLUVWSTIMBZMB-ZWKOTPCHSA-N 2 1 381.565 0.813 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000416031357 1189415747 /nfs/dbraw/zinc/41/57/47/1189415747.db2.gz SRGXASOVSHZZSJ-KRWDZBQOSA-N 2 1 391.516 0.813 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1ccc(CC[NH3+])n1 ZINC001167727748 1189419595 /nfs/dbraw/zinc/41/95/95/1189419595.db2.gz BWFNJAJFSLNPIY-AWEZNQCLSA-N 2 1 375.473 0.874 20 0 GCADMP C[C@H](O)c1cn(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000378148909 1189425981 /nfs/dbraw/zinc/42/59/81/1189425981.db2.gz KPWJOPLAFLYAOS-INIZCTEOSA-N 2 1 392.548 0.986 20 0 GCADMP CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000460853604 1189458392 /nfs/dbraw/zinc/45/83/92/1189458392.db2.gz GLHJZAMVOBEFHL-QZTJIDSGSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853604 1189458393 /nfs/dbraw/zinc/45/83/93/1189458393.db2.gz GLHJZAMVOBEFHL-QZTJIDSGSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853604 1189458397 /nfs/dbraw/zinc/45/83/97/1189458397.db2.gz GLHJZAMVOBEFHL-QZTJIDSGSA-N 2 1 382.549 0.827 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320661 1189475017 /nfs/dbraw/zinc/47/50/17/1189475017.db2.gz VOEDIVLGSHRSPN-MJGOQNOKSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)C1 ZINC000378320661 1189475023 /nfs/dbraw/zinc/47/50/23/1189475023.db2.gz VOEDIVLGSHRSPN-MJGOQNOKSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)C1 ZINC000378320661 1189475028 /nfs/dbraw/zinc/47/50/28/1189475028.db2.gz VOEDIVLGSHRSPN-MJGOQNOKSA-N 2 1 385.512 0.712 20 0 GCADMP O=C(CN1CCC(O)(CN2CCOCC2)CC1)NC(=O)NCc1ccccc1 ZINC000378436167 1189507200 /nfs/dbraw/zinc/50/72/00/1189507200.db2.gz YRLUSYIHKHKJPX-UHFFFAOYSA-N 2 1 390.484 0.172 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000378510891 1189524059 /nfs/dbraw/zinc/52/40/59/1189524059.db2.gz JEJBYCIGPVCVOG-ZWKOTPCHSA-N 2 1 398.548 0.966 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000472996398 1189530138 /nfs/dbraw/zinc/53/01/38/1189530138.db2.gz BWQZABWQVLHXOV-GOSISDBHSA-N 2 1 397.564 0.681 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H](C[NH+]4CCOCC4)C3)n2)CC1 ZINC000330214670 1189550746 /nfs/dbraw/zinc/55/07/46/1189550746.db2.gz LVYGAWIUHDZLGT-MRXNPFEDSA-N 2 1 376.505 1.336 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000416809641 1189585787 /nfs/dbraw/zinc/58/57/87/1189585787.db2.gz JIJXXDSBLGCNDY-HZPDHXFCSA-N 2 1 377.489 0.736 20 0 GCADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951919 1189586794 /nfs/dbraw/zinc/58/67/94/1189586794.db2.gz VAIXVNIXVMHMJP-MAUKXSAKSA-N 2 1 377.533 0.665 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951919 1189586797 /nfs/dbraw/zinc/58/67/97/1189586797.db2.gz VAIXVNIXVMHMJP-MAUKXSAKSA-N 2 1 377.533 0.665 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000416833225 1189587381 /nfs/dbraw/zinc/58/73/81/1189587381.db2.gz JHXPIDVWGCLGFW-WMZOPIPTSA-N 2 1 375.517 0.987 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000416854722 1189589441 /nfs/dbraw/zinc/58/94/41/1189589441.db2.gz VGGGBNCIKRACPQ-WBVHZDCISA-N 2 1 391.516 0.794 20 0 GCADMP CCCN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000416954693 1189598330 /nfs/dbraw/zinc/59/83/30/1189598330.db2.gz IQWDDMLPXSAGJJ-QGZVFWFLSA-N 2 1 375.521 0.772 20 0 GCADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416944996 1189599223 /nfs/dbraw/zinc/59/92/23/1189599223.db2.gz VTNXEYYKHDEFBZ-IRXDYDNUSA-N 2 1 383.537 0.230 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416946794 1189599269 /nfs/dbraw/zinc/59/92/69/1189599269.db2.gz IUKOKXSIUUMLDB-IAGOWNOFSA-N 2 1 375.521 0.758 20 0 GCADMP [NH3+]C1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCCCC1 ZINC000416952904 1189599941 /nfs/dbraw/zinc/59/99/41/1189599941.db2.gz OKVQPUJMCJRSKN-UHFFFAOYSA-N 2 1 375.521 0.950 20 0 GCADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963484 1189600783 /nfs/dbraw/zinc/60/07/83/1189600783.db2.gz ZGCZPEHBDFEMMB-SJORKVTESA-N 2 1 375.521 0.805 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511592783 1189601114 /nfs/dbraw/zinc/60/11/14/1189601114.db2.gz HPUYZTHUUWRMRC-CVEARBPZSA-N 2 1 395.529 0.119 20 0 GCADMP CCC(CC)[C@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000416956616 1189602011 /nfs/dbraw/zinc/60/20/11/1189602011.db2.gz NFTHUUABGSZMLR-MOPGFXCFSA-N 2 1 381.565 0.813 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594763 1189604910 /nfs/dbraw/zinc/60/49/10/1189604910.db2.gz DCMHNYUPHMLDOP-DLBZAZTESA-N 2 1 382.549 0.839 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000416981622 1189605730 /nfs/dbraw/zinc/60/57/30/1189605730.db2.gz CTGQTESTCUZRLZ-FQEVSTJZSA-N 2 1 388.560 0.527 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014816 1189607977 /nfs/dbraw/zinc/60/79/77/1189607977.db2.gz FYHUKMSCIUXZKW-OALUTQOASA-N 2 1 375.517 0.653 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014816 1189607981 /nfs/dbraw/zinc/60/79/81/1189607981.db2.gz FYHUKMSCIUXZKW-OALUTQOASA-N 2 1 375.517 0.653 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014816 1189607985 /nfs/dbraw/zinc/60/79/85/1189607985.db2.gz FYHUKMSCIUXZKW-OALUTQOASA-N 2 1 375.517 0.653 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NCCN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000417026186 1189609813 /nfs/dbraw/zinc/60/98/13/1189609813.db2.gz SMXDSOQXERCLSB-FQEVSTJZSA-N 2 1 388.560 0.570 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)NCCN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000417026186 1189609815 /nfs/dbraw/zinc/60/98/15/1189609815.db2.gz SMXDSOQXERCLSB-FQEVSTJZSA-N 2 1 388.560 0.570 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)NCCN2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000417026186 1189609816 /nfs/dbraw/zinc/60/98/16/1189609816.db2.gz SMXDSOQXERCLSB-FQEVSTJZSA-N 2 1 388.560 0.570 20 0 GCADMP C[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039996 1189611033 /nfs/dbraw/zinc/61/10/33/1189611033.db2.gz KXHNWMNNGWXCLA-IBGZPJMESA-N 2 1 388.560 0.792 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417117791 1189618744 /nfs/dbraw/zinc/61/87/44/1189618744.db2.gz RAZMMRFZBWPAPX-GDBMZVCRSA-N 2 1 393.557 0.991 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417117791 1189618750 /nfs/dbraw/zinc/61/87/50/1189618750.db2.gz RAZMMRFZBWPAPX-GDBMZVCRSA-N 2 1 393.557 0.991 20 0 GCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000584719304 1189638149 /nfs/dbraw/zinc/63/81/49/1189638149.db2.gz FDJOVGBPYGSTON-IAGOWNOFSA-N 2 1 376.457 0.301 20 0 GCADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000641758177 1189640180 /nfs/dbraw/zinc/64/01/80/1189640180.db2.gz JTVGQJIPAVNFBK-CEXWTWQISA-N 2 1 379.549 0.709 20 0 GCADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000641758177 1189640184 /nfs/dbraw/zinc/64/01/84/1189640184.db2.gz JTVGQJIPAVNFBK-CEXWTWQISA-N 2 1 379.549 0.709 20 0 GCADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000641758177 1189640188 /nfs/dbraw/zinc/64/01/88/1189640188.db2.gz JTVGQJIPAVNFBK-CEXWTWQISA-N 2 1 379.549 0.709 20 0 GCADMP COC[C@]1(CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000417383705 1189655616 /nfs/dbraw/zinc/65/56/16/1189655616.db2.gz KOJUGVLTICBPNF-HXUWFJFHSA-N 2 1 390.532 0.662 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417435344 1189661998 /nfs/dbraw/zinc/66/19/98/1189661998.db2.gz YGDSPIUZKNUFKU-BZSNNMDCSA-N 2 1 379.549 0.960 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417429269 1189663206 /nfs/dbraw/zinc/66/32/06/1189663206.db2.gz MSRUIIVKBYJUPB-ZWKOTPCHSA-N 2 1 379.549 0.960 20 0 GCADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000641798621 1189678452 /nfs/dbraw/zinc/67/84/52/1189678452.db2.gz OPEHPDRDIBNSBY-LJQANCHMSA-N 2 1 381.565 0.957 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC(F)(F)C[NH3+])c2)C1 ZINC000417542964 1189679629 /nfs/dbraw/zinc/67/96/29/1189679629.db2.gz FKMBXYSMIHXJAJ-OAHLLOKOSA-N 2 1 383.443 0.777 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC(F)(F)C[NH3+])c2)C1 ZINC000417542964 1189679632 /nfs/dbraw/zinc/67/96/32/1189679632.db2.gz FKMBXYSMIHXJAJ-OAHLLOKOSA-N 2 1 383.443 0.777 20 0 GCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000584852702 1189692070 /nfs/dbraw/zinc/69/20/70/1189692070.db2.gz CPHKIAYILILGID-INIZCTEOSA-N 2 1 388.516 0.002 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)[C@H](C)C1 ZINC000417669832 1189694363 /nfs/dbraw/zinc/69/43/63/1189694363.db2.gz MYIDGXRPVZEWEV-QYZOEREBSA-N 2 1 381.565 0.813 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000417673863 1189695157 /nfs/dbraw/zinc/69/51/57/1189695157.db2.gz XLKCJBRSNBGSSD-OTWHNJEPSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000417758046 1189702653 /nfs/dbraw/zinc/70/26/53/1189702653.db2.gz UOMUNHWRECFZSL-GJZGRUSLSA-N 2 1 394.486 0.005 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668911448 1189717845 /nfs/dbraw/zinc/71/78/45/1189717845.db2.gz SPCHVCYENVLXLX-MSOLQXFVSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000668911448 1189717848 /nfs/dbraw/zinc/71/78/48/1189717848.db2.gz SPCHVCYENVLXLX-MSOLQXFVSA-N 2 1 393.576 0.508 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000418398281 1189776923 /nfs/dbraw/zinc/77/69/23/1189776923.db2.gz WDMNFYYAIOTRKC-ILXRZTDVSA-N 2 1 381.500 0.956 20 0 GCADMP O=C(CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCCCC1 ZINC000909327337 1189796219 /nfs/dbraw/zinc/79/62/19/1189796219.db2.gz VGURRLTUEDPNBO-IBGZPJMESA-N 2 1 388.512 0.606 20 0 GCADMP O=C(CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCCCC1 ZINC000909327337 1189796223 /nfs/dbraw/zinc/79/62/23/1189796223.db2.gz VGURRLTUEDPNBO-IBGZPJMESA-N 2 1 388.512 0.606 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000660532385 1189892393 /nfs/dbraw/zinc/89/23/93/1189892393.db2.gz HVPBNSWKSOKIHC-OKZBNKHCSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660532385 1189892397 /nfs/dbraw/zinc/89/23/97/1189892397.db2.gz HVPBNSWKSOKIHC-OKZBNKHCSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660532385 1189892402 /nfs/dbraw/zinc/89/24/02/1189892402.db2.gz HVPBNSWKSOKIHC-OKZBNKHCSA-N 2 1 378.517 0.110 20 0 GCADMP C[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000660535832 1189894286 /nfs/dbraw/zinc/89/42/86/1189894286.db2.gz LFGLFROGVHYQAG-IPMKNSEASA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)CC2)C1 ZINC000660535832 1189894291 /nfs/dbraw/zinc/89/42/91/1189894291.db2.gz LFGLFROGVHYQAG-IPMKNSEASA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)CC2)C1 ZINC000660535832 1189894297 /nfs/dbraw/zinc/89/42/97/1189894297.db2.gz LFGLFROGVHYQAG-IPMKNSEASA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652126997 1189903553 /nfs/dbraw/zinc/90/35/53/1189903553.db2.gz CXSZATFQLFSIAV-BBWFWOEESA-N 2 1 381.521 0.078 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000660713383 1189939592 /nfs/dbraw/zinc/93/95/92/1189939592.db2.gz RQCDUJDYDJEZSK-WMZOPIPTSA-N 2 1 392.548 0.744 20 0 GCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]([NH3+])c2ccc(F)cc2F)cn1 ZINC000662743963 1190015280 /nfs/dbraw/zinc/01/52/80/1190015280.db2.gz BEPMHVHZZIGUAQ-INIZCTEOSA-N 2 1 380.399 0.478 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000411019801 1193721180 /nfs/dbraw/zinc/72/11/80/1193721180.db2.gz FVFPIFVECVVNBR-QZTJIDSGSA-N 2 1 380.533 0.498 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000246500048 1193721860 /nfs/dbraw/zinc/72/18/60/1193721860.db2.gz HMNGMIABUJKYCD-PZJWPPBQSA-N 2 1 391.560 0.977 20 0 GCADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000246500048 1193721870 /nfs/dbraw/zinc/72/18/70/1193721870.db2.gz HMNGMIABUJKYCD-PZJWPPBQSA-N 2 1 391.560 0.977 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419223865 1193722822 /nfs/dbraw/zinc/72/28/22/1193722822.db2.gz YSHQNQIYIGLSPW-SFHVURJKSA-N 2 1 376.501 0.719 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419224357 1193723851 /nfs/dbraw/zinc/72/38/51/1193723851.db2.gz ZHSQHAPSTBEFJV-GOSISDBHSA-N 2 1 376.501 0.638 20 0 GCADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246736867 1193727195 /nfs/dbraw/zinc/72/71/95/1193727195.db2.gz YATUFVOWIJXLLT-ZWKOTPCHSA-N 2 1 389.548 0.970 20 0 GCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246736867 1193727198 /nfs/dbraw/zinc/72/71/98/1193727198.db2.gz YATUFVOWIJXLLT-ZWKOTPCHSA-N 2 1 389.548 0.970 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419228083 1193735045 /nfs/dbraw/zinc/73/50/45/1193735045.db2.gz GHWOGLDUYSDNAS-ZFWWWQNUSA-N 2 1 380.514 0.187 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419228083 1193735051 /nfs/dbraw/zinc/73/50/51/1193735051.db2.gz GHWOGLDUYSDNAS-ZFWWWQNUSA-N 2 1 380.514 0.187 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419233223 1193742910 /nfs/dbraw/zinc/74/29/10/1193742910.db2.gz VWUVFSRCJQYQIJ-BHIYHBOVSA-N 2 1 388.512 0.508 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549877808 1193748704 /nfs/dbraw/zinc/74/87/04/1193748704.db2.gz VTXUJHGMULHHIO-LJQANCHMSA-N 2 1 388.512 0.463 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549877808 1193748707 /nfs/dbraw/zinc/74/87/07/1193748707.db2.gz VTXUJHGMULHHIO-LJQANCHMSA-N 2 1 388.512 0.463 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000419237254 1193749788 /nfs/dbraw/zinc/74/97/88/1193749788.db2.gz OPHQFFNDBKIUTC-CWRNSKLLSA-N 2 1 394.541 0.576 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000419237254 1193749792 /nfs/dbraw/zinc/74/97/92/1193749792.db2.gz OPHQFFNDBKIUTC-CWRNSKLLSA-N 2 1 394.541 0.576 20 0 GCADMP O=C(C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)NC[C@@H]1CCCO1 ZINC000411390690 1193756326 /nfs/dbraw/zinc/75/63/26/1193756326.db2.gz AQSNBBXCCLKGLV-IBGZPJMESA-N 2 1 394.560 0.986 20 0 GCADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880167 1193761967 /nfs/dbraw/zinc/76/19/67/1193761967.db2.gz SYLWEVHKTXWWPN-OALUTQOASA-N 2 1 394.560 0.938 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880167 1193761972 /nfs/dbraw/zinc/76/19/72/1193761972.db2.gz SYLWEVHKTXWWPN-OALUTQOASA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C[NH3+] ZINC000419268293 1193776633 /nfs/dbraw/zinc/77/66/33/1193776633.db2.gz LXWWYVONOVDTKF-APWZRJJASA-N 2 1 388.512 0.721 20 0 GCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419270214 1193778380 /nfs/dbraw/zinc/77/83/80/1193778380.db2.gz QIDFKBHZVCLTCI-KRWDZBQOSA-N 2 1 388.512 0.641 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419298606 1193792552 /nfs/dbraw/zinc/79/25/52/1193792552.db2.gz IMOYGSCGSSOPTO-RHSMWYFYSA-N 2 1 391.422 0.848 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000419329439 1193822314 /nfs/dbraw/zinc/82/23/14/1193822314.db2.gz FJCDNOIIWFIZTO-IBGZPJMESA-N 2 1 387.528 0.309 20 0 GCADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000419330820 1193823012 /nfs/dbraw/zinc/82/30/12/1193823012.db2.gz CFMRDJBISPNNIZ-MRXNPFEDSA-N 2 1 382.892 0.373 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000419333116 1193826087 /nfs/dbraw/zinc/82/60/87/1193826087.db2.gz IIYXJGYWTQLADN-MRXNPFEDSA-N 2 1 375.517 0.246 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652703969 1193863384 /nfs/dbraw/zinc/86/33/84/1193863384.db2.gz CHSWTTCOKLNPOC-UAFMIMERSA-N 2 1 384.524 0.876 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652703969 1193863386 /nfs/dbraw/zinc/86/33/86/1193863386.db2.gz CHSWTTCOKLNPOC-UAFMIMERSA-N 2 1 384.524 0.876 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)Nc2ccn(CCN3CCOCC3)n2)CCCO1 ZINC000433504443 1193883448 /nfs/dbraw/zinc/88/34/48/1193883448.db2.gz WRZNNIXBCRISRW-KRWDZBQOSA-N 2 1 394.520 0.838 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387741 1193897690 /nfs/dbraw/zinc/89/76/90/1193897690.db2.gz CYLLVGHYSFXRPF-ROUUACIJSA-N 2 1 390.553 0.931 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387741 1193897698 /nfs/dbraw/zinc/89/76/98/1193897698.db2.gz CYLLVGHYSFXRPF-ROUUACIJSA-N 2 1 390.553 0.931 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)CCN1 ZINC000419388969 1193900295 /nfs/dbraw/zinc/90/02/95/1193900295.db2.gz KUYIPRSWESLTEI-IAOVAPTHSA-N 2 1 394.903 0.648 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000549923315 1193901189 /nfs/dbraw/zinc/90/11/89/1193901189.db2.gz LLJIRSQAXMXJSO-GOSISDBHSA-N 2 1 389.544 0.771 20 0 GCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1=O ZINC000513219083 1193923194 /nfs/dbraw/zinc/92/31/94/1193923194.db2.gz NONGGUNBSFCLKC-GJZGRUSLSA-N 2 1 379.505 0.287 20 0 GCADMP COC(=O)[C@@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+](C)C1 ZINC001670798394 1193932434 /nfs/dbraw/zinc/93/24/34/1193932434.db2.gz ABVMVDCNVHPUIX-AWEZNQCLSA-N 2 1 378.477 0.718 20 0 GCADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835218 1193955071 /nfs/dbraw/zinc/95/50/71/1193955071.db2.gz RMAANUCPDYAYQU-INIZCTEOSA-N 2 1 378.517 0.588 20 0 GCADMP COc1ccc(CCNC(=O)[C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647835218 1193955072 /nfs/dbraw/zinc/95/50/72/1193955072.db2.gz RMAANUCPDYAYQU-INIZCTEOSA-N 2 1 378.517 0.588 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491757 1193956081 /nfs/dbraw/zinc/95/60/81/1193956081.db2.gz JHFPBTBMOWQALY-HZPDHXFCSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664205969 1193959168 /nfs/dbraw/zinc/95/91/68/1193959168.db2.gz HZZFRDXXMNSRLS-BVBHFADKSA-N 2 1 376.501 0.592 20 0 GCADMP C[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664205969 1193959170 /nfs/dbraw/zinc/95/91/70/1193959170.db2.gz HZZFRDXXMNSRLS-BVBHFADKSA-N 2 1 376.501 0.592 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531622 1193961201 /nfs/dbraw/zinc/96/12/01/1193961201.db2.gz WQYWLFMKHWAVHW-VQIMIIECSA-N 2 1 398.573 0.941 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn([C@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531622 1193961203 /nfs/dbraw/zinc/96/12/03/1193961203.db2.gz WQYWLFMKHWAVHW-VQIMIIECSA-N 2 1 398.573 0.941 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531519 1193961221 /nfs/dbraw/zinc/96/12/21/1193961221.db2.gz WQYWLFMKHWAVHW-APWZRJJASA-N 2 1 398.573 0.941 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnn([C@@]3(C)CCS(=O)(=O)C3)c2)CC1 ZINC000513531519 1193961222 /nfs/dbraw/zinc/96/12/22/1193961222.db2.gz WQYWLFMKHWAVHW-APWZRJJASA-N 2 1 398.573 0.941 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC[N@@H+]1C ZINC000549942891 1193967844 /nfs/dbraw/zinc/96/78/44/1193967844.db2.gz HZCJTCIWSGBETP-SFHVURJKSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000434075886 1193969389 /nfs/dbraw/zinc/96/93/89/1193969389.db2.gz TZSKXUSPIPYIIQ-UHFFFAOYSA-N 2 1 381.565 0.909 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419398951 1194019092 /nfs/dbraw/zinc/01/90/92/1194019092.db2.gz IUQYPOMNOYILNC-QZTJIDSGSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419398951 1194019097 /nfs/dbraw/zinc/01/90/97/1194019097.db2.gz IUQYPOMNOYILNC-QZTJIDSGSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419400139 1194019375 /nfs/dbraw/zinc/01/93/75/1194019375.db2.gz LIGJXKZFMHPCQK-IRXDYDNUSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419400139 1194019376 /nfs/dbraw/zinc/01/93/76/1194019376.db2.gz LIGJXKZFMHPCQK-IRXDYDNUSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419400140 1194019611 /nfs/dbraw/zinc/01/96/11/1194019611.db2.gz LIGJXKZFMHPCQK-SJORKVTESA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419400140 1194019618 /nfs/dbraw/zinc/01/96/18/1194019618.db2.gz LIGJXKZFMHPCQK-SJORKVTESA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400892 1194019813 /nfs/dbraw/zinc/01/98/13/1194019813.db2.gz NXMYQQSCHPNUBX-FUHWJXTLSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400892 1194019819 /nfs/dbraw/zinc/01/98/19/1194019819.db2.gz NXMYQQSCHPNUBX-FUHWJXTLSA-N 2 1 390.553 0.836 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000419402275 1194020059 /nfs/dbraw/zinc/02/00/59/1194020059.db2.gz CBKPLFXETVIFEK-KBAYOESNSA-N 2 1 380.533 0.579 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401424 1194020478 /nfs/dbraw/zinc/02/04/78/1194020478.db2.gz OQQRKABGVSETJK-IAGOWNOFSA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401424 1194020482 /nfs/dbraw/zinc/02/04/82/1194020482.db2.gz OQQRKABGVSETJK-IAGOWNOFSA-N 2 1 376.526 0.670 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000419402460 1194020865 /nfs/dbraw/zinc/02/08/65/1194020865.db2.gz QJGJCXTYIZRJAQ-QGZVFWFLSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000419402460 1194020867 /nfs/dbraw/zinc/02/08/67/1194020867.db2.gz QJGJCXTYIZRJAQ-QGZVFWFLSA-N 2 1 376.526 0.588 20 0 GCADMP C[C@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404910 1194021026 /nfs/dbraw/zinc/02/10/26/1194021026.db2.gz UHLQJCCVOIITGN-HKUYNNGSSA-N 2 1 387.528 0.035 20 0 GCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000419402994 1194021095 /nfs/dbraw/zinc/02/10/95/1194021095.db2.gz CVXKWCUBWYNBQC-MRXNPFEDSA-N 2 1 395.548 0.071 20 0 GCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419403107 1194021175 /nfs/dbraw/zinc/02/11/75/1194021175.db2.gz RFDNZUYKGXOBRM-SFHVURJKSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419403107 1194021178 /nfs/dbraw/zinc/02/11/78/1194021178.db2.gz RFDNZUYKGXOBRM-SFHVURJKSA-N 2 1 390.553 0.979 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408234 1194022036 /nfs/dbraw/zinc/02/20/36/1194022036.db2.gz CHXIMBLFCKLIAO-QYZOEREBSA-N 2 1 390.528 0.882 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408234 1194022041 /nfs/dbraw/zinc/02/20/41/1194022041.db2.gz CHXIMBLFCKLIAO-QYZOEREBSA-N 2 1 390.528 0.882 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419635 1194022577 /nfs/dbraw/zinc/02/25/77/1194022577.db2.gz SDRAOHSVLHXIAY-GUDVDZBRSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419635 1194022582 /nfs/dbraw/zinc/02/25/82/1194022582.db2.gz SDRAOHSVLHXIAY-GUDVDZBRSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419314 1194022751 /nfs/dbraw/zinc/02/27/51/1194022751.db2.gz JEDDCUAGGPIJJD-CRAIPNDOSA-N 2 1 388.512 0.780 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420922 1194024259 /nfs/dbraw/zinc/02/42/59/1194024259.db2.gz NYRBVUNNVJNKIJ-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420922 1194024261 /nfs/dbraw/zinc/02/42/61/1194024261.db2.gz NYRBVUNNVJNKIJ-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420922 1194024266 /nfs/dbraw/zinc/02/42/66/1194024266.db2.gz NYRBVUNNVJNKIJ-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424769 1194025373 /nfs/dbraw/zinc/02/53/73/1194025373.db2.gz URIJZWRCRNDJAS-RTBURBONSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424769 1194025378 /nfs/dbraw/zinc/02/53/78/1194025378.db2.gz URIJZWRCRNDJAS-RTBURBONSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419424769 1194025381 /nfs/dbraw/zinc/02/53/81/1194025381.db2.gz URIJZWRCRNDJAS-RTBURBONSA-N 2 1 387.528 0.431 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411342 1194029563 /nfs/dbraw/zinc/02/95/63/1194029563.db2.gz HORVYGVZDPXSID-RBUKOAKNSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411342 1194029570 /nfs/dbraw/zinc/02/95/70/1194029570.db2.gz HORVYGVZDPXSID-RBUKOAKNSA-N 2 1 388.512 0.650 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419411403 1194029716 /nfs/dbraw/zinc/02/97/16/1194029716.db2.gz BNHMPGPNGLRHNN-GOSISDBHSA-N 2 1 375.517 0.337 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000419411403 1194029722 /nfs/dbraw/zinc/02/97/22/1194029722.db2.gz BNHMPGPNGLRHNN-GOSISDBHSA-N 2 1 375.517 0.337 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000419414861 1194031277 /nfs/dbraw/zinc/03/12/77/1194031277.db2.gz HHFMNHHOLIIRJH-RTBURBONSA-N 2 1 387.528 0.302 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000419414861 1194031279 /nfs/dbraw/zinc/03/12/79/1194031279.db2.gz HHFMNHHOLIIRJH-RTBURBONSA-N 2 1 387.528 0.302 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000419414861 1194031284 /nfs/dbraw/zinc/03/12/84/1194031284.db2.gz HHFMNHHOLIIRJH-RTBURBONSA-N 2 1 387.528 0.302 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419414269 1194031664 /nfs/dbraw/zinc/03/16/64/1194031664.db2.gz GMSREXZLDYLZNU-LJQANCHMSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419414269 1194031673 /nfs/dbraw/zinc/03/16/73/1194031673.db2.gz GMSREXZLDYLZNU-LJQANCHMSA-N 2 1 387.528 0.350 20 0 GCADMP CC[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419416490 1194032102 /nfs/dbraw/zinc/03/21/02/1194032102.db2.gz WHXYENXPKAVCAA-RTBURBONSA-N 2 1 388.512 0.516 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416159 1194032219 /nfs/dbraw/zinc/03/22/19/1194032219.db2.gz OEFMSQGDNDYQKB-NJAFHUGGSA-N 2 1 376.501 0.588 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416159 1194032224 /nfs/dbraw/zinc/03/22/24/1194032224.db2.gz OEFMSQGDNDYQKB-NJAFHUGGSA-N 2 1 376.501 0.588 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000419417419 1194032315 /nfs/dbraw/zinc/03/23/15/1194032315.db2.gz KCNNJUGSRCIEMI-AABGKKOBSA-N 2 1 399.539 0.302 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000419417419 1194032320 /nfs/dbraw/zinc/03/23/20/1194032320.db2.gz KCNNJUGSRCIEMI-AABGKKOBSA-N 2 1 399.539 0.302 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](c2ccccc2)C1 ZINC000419417419 1194032325 /nfs/dbraw/zinc/03/23/25/1194032325.db2.gz KCNNJUGSRCIEMI-AABGKKOBSA-N 2 1 399.539 0.302 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419455438 1194032989 /nfs/dbraw/zinc/03/29/89/1194032989.db2.gz WWZUIINEKWKTMD-QRVBRYPASA-N 2 1 399.539 0.666 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419454038 1194033244 /nfs/dbraw/zinc/03/32/44/1194033244.db2.gz SRWPILJERBSGGL-QZTJIDSGSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419455394 1194033294 /nfs/dbraw/zinc/03/32/94/1194033294.db2.gz WTBJQAYUSOHWDS-MJGOQNOKSA-N 2 1 387.528 0.653 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419445755 1194035549 /nfs/dbraw/zinc/03/55/49/1194035549.db2.gz FDNDIJIIQHOUSJ-MSOLQXFVSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000419445698 1194036010 /nfs/dbraw/zinc/03/60/10/1194036010.db2.gz FBQXQFPRVNGGOO-SQNIBIBYSA-N 2 1 387.528 0.557 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419448409 1194036600 /nfs/dbraw/zinc/03/66/00/1194036600.db2.gz IMBHAZMWDFKECH-HKUYNNGSSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419449501 1194036796 /nfs/dbraw/zinc/03/67/96/1194036796.db2.gz KANQDPWWDBZEQJ-XMSQKQJNSA-N 2 1 399.539 0.525 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419451845 1194037161 /nfs/dbraw/zinc/03/71/61/1194037161.db2.gz NZVGOGIDJNMAFE-CEXWTWQISA-N 2 1 399.539 0.381 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419451540 1194037494 /nfs/dbraw/zinc/03/74/94/1194037494.db2.gz NJJPAWFGPPHHRF-IAGOWNOFSA-N 2 1 375.517 0.428 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419452649 1194037577 /nfs/dbraw/zinc/03/75/77/1194037577.db2.gz PQFCSBJCCCWSEE-KRWDZBQOSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419453449 1194037656 /nfs/dbraw/zinc/03/76/56/1194037656.db2.gz RISJUVJOXRYMEC-KRWDZBQOSA-N 2 1 389.544 0.757 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419451947 1194037792 /nfs/dbraw/zinc/03/77/92/1194037792.db2.gz OKIZGDGJMDIDAL-SQNIBIBYSA-N 2 1 387.528 0.570 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419452407 1194037939 /nfs/dbraw/zinc/03/79/39/1194037939.db2.gz PIMXXZTVTFWGCC-ZWKOTPCHSA-N 2 1 389.544 0.947 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419454899 1194038260 /nfs/dbraw/zinc/03/82/60/1194038260.db2.gz UZQDIWBIUUEGSR-KRWDZBQOSA-N 2 1 387.528 0.572 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419480885 1194040499 /nfs/dbraw/zinc/04/04/99/1194040499.db2.gz NSUWMOALMNTTKX-SJORKVTESA-N 2 1 395.548 0.071 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000419482508 1194041487 /nfs/dbraw/zinc/04/14/87/1194041487.db2.gz QKKWDFZPZLINAY-XWTMOSNGSA-N 2 1 382.549 0.825 20 0 GCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419468072 1194043214 /nfs/dbraw/zinc/04/32/14/1194043214.db2.gz AQFYSPXTAKRAER-NEWSRXKRSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419510932 1194044852 /nfs/dbraw/zinc/04/48/52/1194044852.db2.gz UQZATDBOWJWIKV-PKOBYXMFSA-N 2 1 387.528 0.653 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000419505775 1194046540 /nfs/dbraw/zinc/04/65/40/1194046540.db2.gz KXVZYCITUIERIW-MRXNPFEDSA-N 2 1 392.500 0.080 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505965 1194046984 /nfs/dbraw/zinc/04/69/84/1194046984.db2.gz MJCDEPXXORVOHF-KZNAEPCWSA-N 2 1 387.528 0.509 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419533825 1194050086 /nfs/dbraw/zinc/05/00/86/1194050086.db2.gz JFFIIQUDFPABSW-MSOLQXFVSA-N 2 1 376.501 0.762 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511075 1194050701 /nfs/dbraw/zinc/05/07/01/1194050701.db2.gz VAUFKEZMMSGCMU-MSOLQXFVSA-N 2 1 389.544 0.947 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512238 1194051105 /nfs/dbraw/zinc/05/11/05/1194051105.db2.gz WUZNWTIROOMCCQ-MSOLQXFVSA-N 2 1 389.544 0.803 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000419537402 1194055562 /nfs/dbraw/zinc/05/55/62/1194055562.db2.gz NLBRSFXIBRAUEM-SJLPKXTDSA-N 2 1 376.501 0.633 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000419560705 1194061090 /nfs/dbraw/zinc/06/10/90/1194061090.db2.gz RKRXSVDVYOOEEK-QZHFEQFPSA-N 2 1 388.512 0.856 20 0 GCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000419565653 1194062114 /nfs/dbraw/zinc/06/21/14/1194062114.db2.gz ZXHYYNRAEAGYDI-MPTYRVRUSA-N 2 1 376.526 0.925 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419675413 1194079992 /nfs/dbraw/zinc/07/99/92/1194079992.db2.gz KLAZQZJHXXCBLY-DOTOQJQBSA-N 2 1 380.464 0.163 20 0 GCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419689064 1194084744 /nfs/dbraw/zinc/08/47/44/1194084744.db2.gz IEGRNVOSQJFQDE-KRWDZBQOSA-N 2 1 375.517 0.164 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419689803 1194085407 /nfs/dbraw/zinc/08/54/07/1194085407.db2.gz BBOGLTSCQXMLGO-JQHSSLGASA-N 2 1 390.528 0.347 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419694155 1194086202 /nfs/dbraw/zinc/08/62/02/1194086202.db2.gz ITQRBDPGQNUEAJ-KRWDZBQOSA-N 2 1 382.549 0.970 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731800 1194089248 /nfs/dbraw/zinc/08/92/48/1194089248.db2.gz RMJZLHXZOYICKV-MOPGFXCFSA-N 2 1 384.480 0.793 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419713663 1194091081 /nfs/dbraw/zinc/09/10/81/1194091081.db2.gz WMNQEHJFPUYINC-NXWXRZEISA-N 2 1 388.512 0.730 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000419717583 1194091613 /nfs/dbraw/zinc/09/16/13/1194091613.db2.gz BQMUEFNDCRWUIY-HNNXBMFYSA-N 2 1 380.439 0.866 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccc(F)cc1 ZINC000419754689 1194098077 /nfs/dbraw/zinc/09/80/77/1194098077.db2.gz BQQDPEZMUBWCTE-RYQLBKOJSA-N 2 1 376.476 0.960 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000419758243 1194098261 /nfs/dbraw/zinc/09/82/61/1194098261.db2.gz JRDKZIMUUNYDJR-LZLYRXPVSA-N 2 1 376.476 0.878 20 0 GCADMP COC1CC[NH+](C2(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CCCC2)CC1 ZINC000419756403 1194098687 /nfs/dbraw/zinc/09/86/87/1194098687.db2.gz RVSBQBYXZVYKNJ-UHFFFAOYSA-N 2 1 376.448 0.236 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419805941 1194107447 /nfs/dbraw/zinc/10/74/47/1194107447.db2.gz FDSYPTFPTQRKGF-JTDSTZFVSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000419805941 1194107451 /nfs/dbraw/zinc/10/74/51/1194107451.db2.gz FDSYPTFPTQRKGF-JTDSTZFVSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419821618 1194110357 /nfs/dbraw/zinc/11/03/57/1194110357.db2.gz NOGCLEXEJGBRFX-YIOZNXECSA-N 2 1 388.512 0.718 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH3+] ZINC000419821618 1194110361 /nfs/dbraw/zinc/11/03/61/1194110361.db2.gz NOGCLEXEJGBRFX-YIOZNXECSA-N 2 1 388.512 0.718 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419810281 1194112046 /nfs/dbraw/zinc/11/20/46/1194112046.db2.gz GXCLNTGVURGRCA-BZUAXINKSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419815203 1194113001 /nfs/dbraw/zinc/11/30/01/1194113001.db2.gz JKJDTIUKQIEKGJ-BXWFABGCSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419815206 1194113098 /nfs/dbraw/zinc/11/30/98/1194113098.db2.gz JKJDTIUKQIEKGJ-FCEWJHQRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419815206 1194113101 /nfs/dbraw/zinc/11/31/01/1194113101.db2.gz JKJDTIUKQIEKGJ-FCEWJHQRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419834522 1194117033 /nfs/dbraw/zinc/11/70/33/1194117033.db2.gz XFFAXLJZYGTXOH-FCEWJHQRSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000419834522 1194117036 /nfs/dbraw/zinc/11/70/36/1194117036.db2.gz XFFAXLJZYGTXOH-FCEWJHQRSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000419838245 1194117564 /nfs/dbraw/zinc/11/75/64/1194117564.db2.gz XNUIYCKWJPUKQN-GOSISDBHSA-N 2 1 389.544 0.364 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419857378 1194123118 /nfs/dbraw/zinc/12/31/18/1194123118.db2.gz KCXCIMXSCALPDR-FGTMMUONSA-N 2 1 379.549 0.119 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863707 1194125617 /nfs/dbraw/zinc/12/56/17/1194125617.db2.gz IBGFZKPUSUGMKU-HKUYNNGSSA-N 2 1 387.528 0.035 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000419874174 1194128878 /nfs/dbraw/zinc/12/88/78/1194128878.db2.gz NHBVIPZOJSFBBN-NEWSRXKRSA-N 2 1 386.496 0.564 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000419874426 1194129600 /nfs/dbraw/zinc/12/96/00/1194129600.db2.gz WAJCQORWYZASID-IBGZPJMESA-N 2 1 387.528 0.116 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877047 1194130195 /nfs/dbraw/zinc/13/01/95/1194130195.db2.gz WLWLYOPRHJWJEO-MOPGFXCFSA-N 2 1 393.576 0.511 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419896711 1194135660 /nfs/dbraw/zinc/13/56/60/1194135660.db2.gz QCJJGUHEBYEGOS-CVEARBPZSA-N 2 1 378.542 0.939 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419896988 1194135908 /nfs/dbraw/zinc/13/59/08/1194135908.db2.gz VEJHSLSZXOOMQJ-ZWKOTPCHSA-N 2 1 381.565 0.508 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419901767 1194137320 /nfs/dbraw/zinc/13/73/20/1194137320.db2.gz UPVAHPMYZAVJQC-JZXOWHBKSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419901771 1194137443 /nfs/dbraw/zinc/13/74/43/1194137443.db2.gz UPVAHPMYZAVJQC-SOLBZPMBSA-N 2 1 380.533 0.593 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419950405 1194143192 /nfs/dbraw/zinc/14/31/92/1194143192.db2.gz MGSWNXZRDAAVDE-YESZJQIVSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419948844 1194143254 /nfs/dbraw/zinc/14/32/54/1194143254.db2.gz GMJZXDOAQMIXDQ-JZXOWHBKSA-N 2 1 382.549 0.824 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419935792 1194145497 /nfs/dbraw/zinc/14/54/97/1194145497.db2.gz SSIDTNZWRFSRDJ-OGWHTMIXSA-N 2 1 388.512 0.903 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419935792 1194145499 /nfs/dbraw/zinc/14/54/99/1194145499.db2.gz SSIDTNZWRFSRDJ-OGWHTMIXSA-N 2 1 388.512 0.903 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972404 1194150425 /nfs/dbraw/zinc/15/04/25/1194150425.db2.gz YLPUFAOJTKDUNA-QGZVFWFLSA-N 2 1 382.549 0.827 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420031043 1194160459 /nfs/dbraw/zinc/16/04/59/1194160459.db2.gz GXCVUFUXTUWITI-GJZGRUSLSA-N 2 1 384.521 0.032 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420055167 1194170650 /nfs/dbraw/zinc/17/06/50/1194170650.db2.gz HQMDVRGUYFNVLU-SJLPKXTDSA-N 2 1 388.512 0.950 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000420097407 1194176621 /nfs/dbraw/zinc/17/66/21/1194176621.db2.gz CDSZJYAPVDUGTG-BRWVUGGUSA-N 2 1 380.533 0.593 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420102539 1194177904 /nfs/dbraw/zinc/17/79/04/1194177904.db2.gz PWSXKZUAYNOORS-OAQYLSRUSA-N 2 1 390.528 0.716 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501591331 1194198280 /nfs/dbraw/zinc/19/82/80/1194198280.db2.gz ULQLHUPJRUVUEY-MSOLQXFVSA-N 2 1 394.560 0.698 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501591333 1194198513 /nfs/dbraw/zinc/19/85/13/1194198513.db2.gz ULQLHUPJRUVUEY-ROUUACIJSA-N 2 1 394.560 0.698 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420186098 1194198794 /nfs/dbraw/zinc/19/87/94/1194198794.db2.gz PSYKULHVABOENH-HKUYNNGSSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164446 1194198855 /nfs/dbraw/zinc/19/88/55/1194198855.db2.gz LYPVRBYDMBLUEP-WBVHZDCISA-N 2 1 380.533 0.593 20 0 GCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814885 1194199102 /nfs/dbraw/zinc/19/91/02/1194199102.db2.gz JVONRHFWXKRKAD-SZMVWBNQSA-N 2 1 388.516 0.496 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164443 1194199149 /nfs/dbraw/zinc/19/91/49/1194199149.db2.gz LYPVRBYDMBLUEP-DOTOQJQBSA-N 2 1 380.533 0.593 20 0 GCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170531 1194200124 /nfs/dbraw/zinc/20/01/24/1194200124.db2.gz SDRNCZYCZYXQQS-ROUUACIJSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420172108 1194200882 /nfs/dbraw/zinc/20/08/82/1194200882.db2.gz SYBAQWYLXPPYRY-DJPFJPOOSA-N 2 1 388.512 0.339 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@H](C)O1 ZINC000420173626 1194201368 /nfs/dbraw/zinc/20/13/68/1194201368.db2.gz VQGWWHIYKWVPTJ-MJQMVNBJSA-N 2 1 394.560 0.981 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[NH2+]CCOC)CC[N@@H+]1Cc1ccccc1 ZINC000420187486 1194205810 /nfs/dbraw/zinc/20/58/10/1194205810.db2.gz RKMBDPDXCIFRNQ-GOSISDBHSA-N 2 1 376.501 0.462 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NCC[NH2+]CCOC)CC[N@H+]1Cc1ccccc1 ZINC000420187486 1194205811 /nfs/dbraw/zinc/20/58/11/1194205811.db2.gz RKMBDPDXCIFRNQ-GOSISDBHSA-N 2 1 376.501 0.462 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501592809 1194206711 /nfs/dbraw/zinc/20/67/11/1194206711.db2.gz XBTJAWGLNLWVDD-QRQLOZEOSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420192646 1194207626 /nfs/dbraw/zinc/20/76/26/1194207626.db2.gz QXDVKDCSJYECMB-MJGOQNOKSA-N 2 1 388.512 0.604 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000501597270 1194207916 /nfs/dbraw/zinc/20/79/16/1194207916.db2.gz KBKAYMGZHUWVIB-FUHWJXTLSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000501597270 1194207920 /nfs/dbraw/zinc/20/79/20/1194207920.db2.gz KBKAYMGZHUWVIB-FUHWJXTLSA-N 2 1 380.533 0.402 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CCOC ZINC000501599284 1194208962 /nfs/dbraw/zinc/20/89/62/1194208962.db2.gz QDVRSBGTACGQTA-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CCOC ZINC000501599284 1194208968 /nfs/dbraw/zinc/20/89/68/1194208968.db2.gz QDVRSBGTACGQTA-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599284 1194208969 /nfs/dbraw/zinc/20/89/69/1194208969.db2.gz QDVRSBGTACGQTA-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CCOC ZINC000501599284 1194208973 /nfs/dbraw/zinc/20/89/73/1194208973.db2.gz QDVRSBGTACGQTA-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000420208440 1194211382 /nfs/dbraw/zinc/21/13/82/1194211382.db2.gz QZTZJAMIHCJBLI-KGLIPLIRSA-N 2 1 394.438 0.343 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501621238 1194215020 /nfs/dbraw/zinc/21/50/20/1194215020.db2.gz GEDAMAZVEJYKQP-SJLPKXTDSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501621238 1194215025 /nfs/dbraw/zinc/21/50/25/1194215025.db2.gz GEDAMAZVEJYKQP-SJLPKXTDSA-N 2 1 380.533 0.402 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000501639675 1194216925 /nfs/dbraw/zinc/21/69/25/1194216925.db2.gz OBENJSRNZQGXIG-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000501639675 1194216929 /nfs/dbraw/zinc/21/69/29/1194216929.db2.gz OBENJSRNZQGXIG-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639675 1194216933 /nfs/dbraw/zinc/21/69/33/1194216933.db2.gz OBENJSRNZQGXIG-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000501639675 1194216939 /nfs/dbraw/zinc/21/69/39/1194216939.db2.gz OBENJSRNZQGXIG-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501641330 1194217090 /nfs/dbraw/zinc/21/70/90/1194217090.db2.gz QYSLSQWPDMOGRX-SOLBZPMBSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501641330 1194217094 /nfs/dbraw/zinc/21/70/94/1194217094.db2.gz QYSLSQWPDMOGRX-SOLBZPMBSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501641330 1194217098 /nfs/dbraw/zinc/21/70/98/1194217098.db2.gz QYSLSQWPDMOGRX-SOLBZPMBSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501641330 1194217101 /nfs/dbraw/zinc/21/71/01/1194217101.db2.gz QYSLSQWPDMOGRX-SOLBZPMBSA-N 2 1 380.533 0.281 20 0 GCADMP C[N@@H+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501642039 1194217787 /nfs/dbraw/zinc/21/77/87/1194217787.db2.gz QIUIAHAAQLTYRW-QGZVFWFLSA-N 2 1 380.533 0.282 20 0 GCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501642039 1194217791 /nfs/dbraw/zinc/21/77/91/1194217791.db2.gz QIUIAHAAQLTYRW-QGZVFWFLSA-N 2 1 380.533 0.282 20 0 GCADMP C[NH+](CCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501642039 1194217794 /nfs/dbraw/zinc/21/77/94/1194217794.db2.gz QIUIAHAAQLTYRW-QGZVFWFLSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501648605 1194219268 /nfs/dbraw/zinc/21/92/68/1194219268.db2.gz YKDORIXNMGDQGA-FGTMMUONSA-N 2 1 394.560 0.840 20 0 GCADMP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347469 1194222289 /nfs/dbraw/zinc/22/22/89/1194222289.db2.gz GUVIBJZWOQVQQH-AEFFLSMTSA-N 2 1 390.528 0.731 20 0 GCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420348377 1194222386 /nfs/dbraw/zinc/22/23/86/1194222386.db2.gz LEGIPYHYINMLMX-CQSZACIVSA-N 2 1 375.429 0.043 20 0 GCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000420348377 1194222388 /nfs/dbraw/zinc/22/23/88/1194222388.db2.gz LEGIPYHYINMLMX-CQSZACIVSA-N 2 1 375.429 0.043 20 0 GCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420351391 1194223335 /nfs/dbraw/zinc/22/33/35/1194223335.db2.gz WVCRBFVCCNDRMA-RBUKOAKNSA-N 2 1 376.476 0.705 20 0 GCADMP COC(=O)CCN(C)S(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000420468608 1194230728 /nfs/dbraw/zinc/23/07/28/1194230728.db2.gz GNSBPOXWHUZRHH-UHFFFAOYSA-N 2 1 398.529 0.309 20 0 GCADMP CNc1nc(NC2CCC([NH+](C)C)CC2)[nH+]c(NC2CCC([NH+](C)C)CC2)n1 ZINC000420634036 1194250106 /nfs/dbraw/zinc/25/01/06/1194250106.db2.gz ZAVVIVXJKLSDDO-UHFFFAOYSA-N 3 1 390.580 0.748 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000647907895 1194282506 /nfs/dbraw/zinc/28/25/06/1194282506.db2.gz LGUNWFOYQSJTFH-FVQBIDKESA-N 2 1 378.498 0.282 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000647907895 1194282507 /nfs/dbraw/zinc/28/25/07/1194282507.db2.gz LGUNWFOYQSJTFH-FVQBIDKESA-N 2 1 378.498 0.282 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000421130521 1194297925 /nfs/dbraw/zinc/29/79/25/1194297925.db2.gz PQVOVWFCLLLTBD-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000421130521 1194297930 /nfs/dbraw/zinc/29/79/30/1194297930.db2.gz PQVOVWFCLLLTBD-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421168041 1194300717 /nfs/dbraw/zinc/30/07/17/1194300717.db2.gz MBABQZYKCNCINP-KRWDZBQOSA-N 2 1 388.516 0.002 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249665 1194317296 /nfs/dbraw/zinc/31/72/96/1194317296.db2.gz MLLFZNRAXALBOB-ROUUACIJSA-N 2 1 381.565 0.316 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000421406440 1194336892 /nfs/dbraw/zinc/33/68/92/1194336892.db2.gz UCLWWXCCEQBCOX-QGZVFWFLSA-N 2 1 376.501 0.796 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549955823 1194344987 /nfs/dbraw/zinc/34/49/87/1194344987.db2.gz CYZNQVLYCMYSAE-KRWDZBQOSA-N 2 1 392.544 0.738 20 0 GCADMP O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549955823 1194344991 /nfs/dbraw/zinc/34/49/91/1194344991.db2.gz CYZNQVLYCMYSAE-KRWDZBQOSA-N 2 1 392.544 0.738 20 0 GCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422136092 1194397660 /nfs/dbraw/zinc/39/76/60/1194397660.db2.gz KQHWUNXSEJYWTF-QRVBRYPASA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000503183805 1194403735 /nfs/dbraw/zinc/40/37/35/1194403735.db2.gz WGPXZEFTHINCSK-RBUKOAKNSA-N 2 1 395.592 0.709 20 0 GCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NCC[N@@H+](C)CCOC)CC1 ZINC000271728856 1194407573 /nfs/dbraw/zinc/40/75/73/1194407573.db2.gz ZGRGLGUJZPSMDB-UHFFFAOYSA-N 2 1 380.493 0.173 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c2)CC1 ZINC000272391246 1194456165 /nfs/dbraw/zinc/45/61/65/1194456165.db2.gz XYSDCIXBZLDIGN-AZUAARDMSA-N 2 1 399.539 0.925 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000272468737 1194463915 /nfs/dbraw/zinc/46/39/15/1194463915.db2.gz PURUZROCRZKZPQ-MSOLQXFVSA-N 2 1 387.532 0.724 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000272468737 1194463918 /nfs/dbraw/zinc/46/39/18/1194463918.db2.gz PURUZROCRZKZPQ-MSOLQXFVSA-N 2 1 387.532 0.724 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1ccn[nH]1 ZINC000272740430 1194494528 /nfs/dbraw/zinc/49/45/28/1194494528.db2.gz IJPLRCZBUBYPJG-HNNXBMFYSA-N 2 1 379.509 0.197 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000273010416 1194530555 /nfs/dbraw/zinc/53/05/55/1194530555.db2.gz RDLROHHIYXBFQI-PMACEKPBSA-N 2 1 389.544 0.688 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000273010416 1194530558 /nfs/dbraw/zinc/53/05/58/1194530558.db2.gz RDLROHHIYXBFQI-PMACEKPBSA-N 2 1 389.544 0.688 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000422290384 1194604387 /nfs/dbraw/zinc/60/43/87/1194604387.db2.gz AOQFMUGDJWXCJC-KRWDZBQOSA-N 2 1 380.533 0.689 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422380314 1194629860 /nfs/dbraw/zinc/62/98/60/1194629860.db2.gz QRUJIKLBKIYTDX-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000422380312 1194629970 /nfs/dbraw/zinc/62/99/70/1194629970.db2.gz QRUJIKLBKIYTDX-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422396445 1194635910 /nfs/dbraw/zinc/63/59/10/1194635910.db2.gz LDMAGVQFOFNJFQ-GOSISDBHSA-N 2 1 382.549 0.933 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000414658027 1194640932 /nfs/dbraw/zinc/64/09/32/1194640932.db2.gz IUYSEYSMAOHYRE-QGZVFWFLSA-N 2 1 390.484 0.580 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000422495627 1194652022 /nfs/dbraw/zinc/65/20/22/1194652022.db2.gz SLYWODFKDHXIMO-QGZVFWFLSA-N 2 1 380.533 0.405 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422497419 1194652281 /nfs/dbraw/zinc/65/22/81/1194652281.db2.gz VMNRMRPXMJAYRR-KRWDZBQOSA-N 2 1 382.549 0.651 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422497419 1194652285 /nfs/dbraw/zinc/65/22/85/1194652285.db2.gz VMNRMRPXMJAYRR-KRWDZBQOSA-N 2 1 382.549 0.651 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000422498904 1194652350 /nfs/dbraw/zinc/65/23/50/1194652350.db2.gz YHLZRKZNLKSNBQ-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1CCOC ZINC000422498904 1194652352 /nfs/dbraw/zinc/65/23/52/1194652352.db2.gz YHLZRKZNLKSNBQ-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1CCOC ZINC000422498904 1194652353 /nfs/dbraw/zinc/65/23/53/1194652353.db2.gz YHLZRKZNLKSNBQ-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000422498904 1194652355 /nfs/dbraw/zinc/65/23/55/1194652355.db2.gz YHLZRKZNLKSNBQ-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000422499107 1194652815 /nfs/dbraw/zinc/65/28/15/1194652815.db2.gz YTXNENPQAVYGLD-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422489044 1194655891 /nfs/dbraw/zinc/65/58/91/1194655891.db2.gz KZRUATQXKXERSR-DLBZAZTESA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422489044 1194655894 /nfs/dbraw/zinc/65/58/94/1194655894.db2.gz KZRUATQXKXERSR-DLBZAZTESA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422489044 1194655897 /nfs/dbraw/zinc/65/58/97/1194655897.db2.gz KZRUATQXKXERSR-DLBZAZTESA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422489047 1194655981 /nfs/dbraw/zinc/65/59/81/1194655981.db2.gz KZRUATQXKXERSR-SJORKVTESA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422489047 1194655983 /nfs/dbraw/zinc/65/59/83/1194655983.db2.gz KZRUATQXKXERSR-SJORKVTESA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422489047 1194655985 /nfs/dbraw/zinc/65/59/85/1194655985.db2.gz KZRUATQXKXERSR-SJORKVTESA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000422489045 1194656011 /nfs/dbraw/zinc/65/60/11/1194656011.db2.gz KZRUATQXKXERSR-IAGOWNOFSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000422489045 1194656012 /nfs/dbraw/zinc/65/60/12/1194656012.db2.gz KZRUATQXKXERSR-IAGOWNOFSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000422489045 1194656015 /nfs/dbraw/zinc/65/60/15/1194656015.db2.gz KZRUATQXKXERSR-IAGOWNOFSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000422489046 1194656127 /nfs/dbraw/zinc/65/61/27/1194656127.db2.gz KZRUATQXKXERSR-IRXDYDNUSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000422489046 1194656132 /nfs/dbraw/zinc/65/61/32/1194656132.db2.gz KZRUATQXKXERSR-IRXDYDNUSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000422489046 1194656135 /nfs/dbraw/zinc/65/61/35/1194656135.db2.gz KZRUATQXKXERSR-IRXDYDNUSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490169 1194656657 /nfs/dbraw/zinc/65/66/57/1194656657.db2.gz MKAKOHRXVJFVDB-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536755 1194665046 /nfs/dbraw/zinc/66/50/46/1194665046.db2.gz DMLBARRHXXMPRD-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536755 1194665048 /nfs/dbraw/zinc/66/50/48/1194665048.db2.gz DMLBARRHXXMPRD-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536755 1194665050 /nfs/dbraw/zinc/66/50/50/1194665050.db2.gz DMLBARRHXXMPRD-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000503468013 1194674517 /nfs/dbraw/zinc/67/45/17/1194674517.db2.gz HLHSQDPJHJSXRE-HDICACEKSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@@H](C)O1 ZINC000414684238 1194690857 /nfs/dbraw/zinc/69/08/57/1194690857.db2.gz VAVCNMICLHFWNA-HUUCEWRRSA-N 2 1 392.500 0.967 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)C1 ZINC000414698686 1194703873 /nfs/dbraw/zinc/70/38/73/1194703873.db2.gz XTELZOCKQIOONK-CQSZACIVSA-N 2 1 380.439 0.920 20 0 GCADMP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422892872 1194707744 /nfs/dbraw/zinc/70/77/44/1194707744.db2.gz ZNXAONHSSBPMNA-GBESFXJTSA-N 2 1 388.512 0.767 20 0 GCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423117804 1194728213 /nfs/dbraw/zinc/72/82/13/1194728213.db2.gz XHKNAFHREIQHQJ-MRXNPFEDSA-N 2 1 378.542 0.893 20 0 GCADMP CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423142716 1194733691 /nfs/dbraw/zinc/73/36/91/1194733691.db2.gz BINGFWFELKOCLZ-RTBURBONSA-N 2 1 388.512 0.686 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423183699 1194734147 /nfs/dbraw/zinc/73/41/47/1194734147.db2.gz GQZURSDJICFFOH-XWTMOSNGSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423183699 1194734150 /nfs/dbraw/zinc/73/41/50/1194734150.db2.gz GQZURSDJICFFOH-XWTMOSNGSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000423183700 1194734204 /nfs/dbraw/zinc/73/42/04/1194734204.db2.gz GQZURSDJICFFOH-ZJPYXAASSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423163775 1194734362 /nfs/dbraw/zinc/73/43/62/1194734362.db2.gz NICBUUWEXXDIQS-VAMGGRTRSA-N 2 1 399.539 0.962 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423161292 1194734702 /nfs/dbraw/zinc/73/47/02/1194734702.db2.gz IQJZZBXAMVCVOJ-RBUKOAKNSA-N 2 1 387.528 0.962 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423163774 1194734714 /nfs/dbraw/zinc/73/47/14/1194734714.db2.gz NICBUUWEXXDIQS-SLFFLAALSA-N 2 1 399.539 0.962 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000423161291 1194734761 /nfs/dbraw/zinc/73/47/61/1194734761.db2.gz IQJZZBXAMVCVOJ-OALUTQOASA-N 2 1 387.528 0.962 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167274 1194734948 /nfs/dbraw/zinc/73/49/48/1194734948.db2.gz RWPNIIOGVIZHTJ-OTWHNJEPSA-N 2 1 385.512 0.572 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423182508 1194736115 /nfs/dbraw/zinc/73/61/15/1194736115.db2.gz FCXPFZJZUZYSHG-JENIJYKNSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423194977 1194738231 /nfs/dbraw/zinc/73/82/31/1194738231.db2.gz ZVQSZMHCDKKAPY-KGLIPLIRSA-N 2 1 394.438 0.295 20 0 GCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423294391 1194747416 /nfs/dbraw/zinc/74/74/16/1194747416.db2.gz UJSVSPKIQAPAIN-NZSAHSFTSA-N 2 1 388.512 0.684 20 0 GCADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000458849716 1194753113 /nfs/dbraw/zinc/75/31/13/1194753113.db2.gz SNORWRQFERSXRM-HXUWFJFHSA-N 2 1 376.501 0.645 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000458849716 1194753116 /nfs/dbraw/zinc/75/31/16/1194753116.db2.gz SNORWRQFERSXRM-HXUWFJFHSA-N 2 1 376.501 0.645 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000458849716 1194753118 /nfs/dbraw/zinc/75/31/18/1194753118.db2.gz SNORWRQFERSXRM-HXUWFJFHSA-N 2 1 376.501 0.645 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423393878 1194753211 /nfs/dbraw/zinc/75/32/11/1194753211.db2.gz RBZJYAXFIIODJK-QZTJIDSGSA-N 2 1 387.528 0.463 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397503 1194753605 /nfs/dbraw/zinc/75/36/05/1194753605.db2.gz SLZGZQPHPVDVFG-IAGOWNOFSA-N 2 1 380.533 0.533 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000423403052 1194754584 /nfs/dbraw/zinc/75/45/84/1194754584.db2.gz XASNQBFTKXRTJF-PKOBYXMFSA-N 2 1 387.528 0.463 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423402209 1194754697 /nfs/dbraw/zinc/75/46/97/1194754697.db2.gz WOSVYWMUWICZFP-OALUTQOASA-N 2 1 399.539 0.335 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423452460 1194756423 /nfs/dbraw/zinc/75/64/23/1194756423.db2.gz WJVXTZHUAIEMSI-ULQDDVLXSA-N 2 1 380.533 0.389 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423452090 1194756452 /nfs/dbraw/zinc/75/64/52/1194756452.db2.gz VXMNOWHIDDLTQC-MOPGFXCFSA-N 2 1 394.560 0.651 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(CCC[N@@H+](C)CCOC)CC2)C1 ZINC000423430960 1194756896 /nfs/dbraw/zinc/75/68/96/1194756896.db2.gz ACLFXYZPSUJHLI-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423462357 1194758157 /nfs/dbraw/zinc/75/81/57/1194758157.db2.gz OYUUGDYJMXZQLF-YESZJQIVSA-N 2 1 396.532 0.053 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423479324 1194758983 /nfs/dbraw/zinc/75/89/83/1194758983.db2.gz VCDBFXVQCSCTII-LJQANCHMSA-N 2 1 394.560 0.923 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423453610 1194759261 /nfs/dbraw/zinc/75/92/61/1194759261.db2.gz AYKTUAKKLARADB-IEBWSBKVSA-N 2 1 388.512 0.686 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)C1 ZINC000414747942 1194760619 /nfs/dbraw/zinc/76/06/19/1194760619.db2.gz VLZXKNDVYOGKKR-LJQANCHMSA-N 2 1 385.512 0.923 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@@H+]1CCOC ZINC000423528912 1194761192 /nfs/dbraw/zinc/76/11/92/1194761192.db2.gz PBPLPMVWNLLLHR-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@H+]1CCOC ZINC000423528912 1194761193 /nfs/dbraw/zinc/76/11/93/1194761193.db2.gz PBPLPMVWNLLLHR-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517636 1194762184 /nfs/dbraw/zinc/76/21/84/1194762184.db2.gz OFQDXRKDUWVIHA-AEFFLSMTSA-N 2 1 397.589 0.471 20 0 GCADMP C[C@@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517681 1194762420 /nfs/dbraw/zinc/76/24/20/1194762420.db2.gz OFQDXRKDUWVIHA-SJLPKXTDSA-N 2 1 397.589 0.471 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@@H+]1CCOC ZINC000423519184 1194762564 /nfs/dbraw/zinc/76/25/64/1194762564.db2.gz DAIJFGLHPQUDEP-MHORFTMASA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[N@H+]1CCOC ZINC000423519184 1194762565 /nfs/dbraw/zinc/76/25/65/1194762565.db2.gz DAIJFGLHPQUDEP-MHORFTMASA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423524697 1194763060 /nfs/dbraw/zinc/76/30/60/1194763060.db2.gz JWEYHQCCNWGFTM-RBUKOAKNSA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423524697 1194763062 /nfs/dbraw/zinc/76/30/62/1194763062.db2.gz JWEYHQCCNWGFTM-RBUKOAKNSA-N 2 1 394.560 0.794 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423572967 1194768533 /nfs/dbraw/zinc/76/85/33/1194768533.db2.gz QLCDAKLQSWEHSX-WIYYLYMNSA-N 2 1 388.512 0.292 20 0 GCADMP CC[N@H+]1CCC[C@@H](CN(C)C(=O)C(=O)N2CC[NH2+][C@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000423582795 1194770395 /nfs/dbraw/zinc/77/03/95/1194770395.db2.gz YFIGTKMRYAXSHK-SOLBZPMBSA-N 2 1 390.532 0.472 20 0 GCADMP C[C@@H]1CNCCN1C(=O)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000423588793 1194771673 /nfs/dbraw/zinc/77/16/73/1194771673.db2.gz BIBUIRGTTOGZPT-QGZVFWFLSA-N 3 1 393.576 0.461 20 0 GCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423604332 1194772450 /nfs/dbraw/zinc/77/24/50/1194772450.db2.gz IBMUFLNMZHYIBS-GOSISDBHSA-N 2 1 387.528 0.083 20 0 GCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643909 1194777369 /nfs/dbraw/zinc/77/73/69/1194777369.db2.gz XSNYFEGUSQEIHU-WOJBJXKFSA-N 2 1 399.539 0.212 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423658542 1194780703 /nfs/dbraw/zinc/78/07/03/1194780703.db2.gz XVADITWXHXSNRV-KGLIPLIRSA-N 2 1 394.438 0.295 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423659215 1194780738 /nfs/dbraw/zinc/78/07/38/1194780738.db2.gz ZAHGXUYYCLIJSU-BLIXFSHQSA-N 2 1 388.512 0.278 20 0 GCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000423668599 1194782270 /nfs/dbraw/zinc/78/22/70/1194782270.db2.gz KFXRIYZDTKDZLF-UHFFFAOYSA-N 2 1 388.512 0.687 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000423686850 1194786074 /nfs/dbraw/zinc/78/60/74/1194786074.db2.gz ZNPSQULZENTWRU-RTBURBONSA-N 2 1 388.512 0.338 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688676 1194786208 /nfs/dbraw/zinc/78/62/08/1194786208.db2.gz BMWJHAODMVFZHB-WIYYLYMNSA-N 2 1 386.496 0.297 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC[N@@H+]1C ZINC000423705966 1194786680 /nfs/dbraw/zinc/78/66/80/1194786680.db2.gz AJDWPVLWIMMLGW-IKGGRYGDSA-N 2 1 378.517 0.012 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC[N@H+]1C ZINC000423705966 1194786682 /nfs/dbraw/zinc/78/66/82/1194786682.db2.gz AJDWPVLWIMMLGW-IKGGRYGDSA-N 2 1 378.517 0.012 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423705950 1194786861 /nfs/dbraw/zinc/78/68/61/1194786861.db2.gz AFPYCOXXWFAWIH-DOTOQJQBSA-N 2 1 390.532 0.472 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C[C@H]1[NH3+] ZINC000423737494 1194792497 /nfs/dbraw/zinc/79/24/97/1194792497.db2.gz GHKBZLDPESULTL-MISYRCLQSA-N 2 1 399.539 0.211 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000424493099 1194817162 /nfs/dbraw/zinc/81/71/62/1194817162.db2.gz JMPKYDFZSLPVQY-UHFFFAOYSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CC[NH2+]CC2 ZINC000424509823 1194819225 /nfs/dbraw/zinc/81/92/25/1194819225.db2.gz QTBRSFLIPMOORI-SJORKVTESA-N 2 1 380.533 0.594 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535227 1194820082 /nfs/dbraw/zinc/82/00/82/1194820082.db2.gz ZYAOEVVPDVKQQM-OKZBNKHCSA-N 2 1 390.532 0.300 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424519641 1194821370 /nfs/dbraw/zinc/82/13/70/1194821370.db2.gz JWSUDNXWWHOXEI-GOSISDBHSA-N 2 1 393.576 0.511 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548232 1194823596 /nfs/dbraw/zinc/82/35/96/1194823596.db2.gz KXTAZWMGLDZONM-UXDQUXDASA-N 2 1 390.532 0.156 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000424550652 1194823953 /nfs/dbraw/zinc/82/39/53/1194823953.db2.gz TVKLIORFJSDXAW-BSWAZPDLSA-N 2 1 376.505 0.004 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434450577 1194845458 /nfs/dbraw/zinc/84/54/58/1194845458.db2.gz QRLDVHWOQOORHS-MOPGFXCFSA-N 2 1 392.544 0.833 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434450577 1194845461 /nfs/dbraw/zinc/84/54/61/1194845461.db2.gz QRLDVHWOQOORHS-MOPGFXCFSA-N 2 1 392.544 0.833 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000514659002 1194891436 /nfs/dbraw/zinc/89/14/36/1194891436.db2.gz UUZADXBGMKXAAT-ROUUACIJSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000514659002 1194891438 /nfs/dbraw/zinc/89/14/38/1194891438.db2.gz UUZADXBGMKXAAT-ROUUACIJSA-N 2 1 394.560 0.767 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693992 1194895386 /nfs/dbraw/zinc/89/53/86/1194895386.db2.gz UKWTYYLCXXIZMC-PKOBYXMFSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000514753018 1194903735 /nfs/dbraw/zinc/90/37/35/1194903735.db2.gz UWYLXOLZEXLTFB-ROUUACIJSA-N 2 1 398.548 0.221 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000514753017 1194903978 /nfs/dbraw/zinc/90/39/78/1194903978.db2.gz UWYLXOLZEXLTFB-QZTJIDSGSA-N 2 1 398.548 0.221 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000514780378 1194910546 /nfs/dbraw/zinc/91/05/46/1194910546.db2.gz SMRNYSUORCUSQL-OALUTQOASA-N 2 1 391.560 0.310 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000514780378 1194910549 /nfs/dbraw/zinc/91/05/49/1194910549.db2.gz SMRNYSUORCUSQL-OALUTQOASA-N 2 1 391.560 0.310 20 0 GCADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000425387790 1194936062 /nfs/dbraw/zinc/93/60/62/1194936062.db2.gz NTCFSSVTQJSBMJ-ZSXDVEMLSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000425387790 1194936066 /nfs/dbraw/zinc/93/60/66/1194936066.db2.gz NTCFSSVTQJSBMJ-ZSXDVEMLSA-N 2 1 392.544 0.639 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](CO)[C@@H](O)C2)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988573 1194937489 /nfs/dbraw/zinc/93/74/89/1194937489.db2.gz BFUITVAIQWISEN-UKAVVXHISA-N 2 1 394.512 0.045 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000514988573 1194937492 /nfs/dbraw/zinc/93/74/92/1194937492.db2.gz BFUITVAIQWISEN-UKAVVXHISA-N 2 1 394.512 0.045 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000514988573 1194937494 /nfs/dbraw/zinc/93/74/94/1194937494.db2.gz BFUITVAIQWISEN-UKAVVXHISA-N 2 1 394.512 0.045 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000514988572 1194937595 /nfs/dbraw/zinc/93/75/95/1194937595.db2.gz BFUITVAIQWISEN-KOUHRCEDSA-N 2 1 394.512 0.045 20 0 GCADMP COc1cc(C[NH+]2CC[C@@H](CO)[C@H](O)C2)cc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988572 1194937597 /nfs/dbraw/zinc/93/75/97/1194937597.db2.gz BFUITVAIQWISEN-KOUHRCEDSA-N 2 1 394.512 0.045 20 0 GCADMP COc1cc(C[NH+]2CC[C@@H](CO)[C@H](O)C2)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988572 1194937599 /nfs/dbraw/zinc/93/75/99/1194937599.db2.gz BFUITVAIQWISEN-KOUHRCEDSA-N 2 1 394.512 0.045 20 0 GCADMP CN(C)c1ncc(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000435567574 1194944246 /nfs/dbraw/zinc/94/42/46/1194944246.db2.gz MBALZUJVKCHGGZ-HXUWFJFHSA-N 2 1 386.500 0.922 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000435567574 1194944250 /nfs/dbraw/zinc/94/42/50/1194944250.db2.gz MBALZUJVKCHGGZ-HXUWFJFHSA-N 2 1 386.500 0.922 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000435567574 1194944254 /nfs/dbraw/zinc/94/42/54/1194944254.db2.gz MBALZUJVKCHGGZ-HXUWFJFHSA-N 2 1 386.500 0.922 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)C[C@@H](O)CN2CCOCC2)C[C@@H](C)O1 ZINC000435585813 1194946271 /nfs/dbraw/zinc/94/62/71/1194946271.db2.gz VBKANMJBGQYPLT-BRWVUGGUSA-N 2 1 386.537 0.209 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000515136133 1194950644 /nfs/dbraw/zinc/95/06/44/1194950644.db2.gz HQHKTWYPCIGBPW-IBGZPJMESA-N 2 1 394.560 0.746 20 0 GCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000515136133 1194950646 /nfs/dbraw/zinc/95/06/46/1194950646.db2.gz HQHKTWYPCIGBPW-IBGZPJMESA-N 2 1 394.560 0.746 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000515136133 1194950649 /nfs/dbraw/zinc/95/06/49/1194950649.db2.gz HQHKTWYPCIGBPW-IBGZPJMESA-N 2 1 394.560 0.746 20 0 GCADMP C[N@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000284346730 1194953010 /nfs/dbraw/zinc/95/30/10/1194953010.db2.gz BNQKLJYYUZRKIH-UHFFFAOYSA-N 2 1 388.512 0.558 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000284346730 1194953012 /nfs/dbraw/zinc/95/30/12/1194953012.db2.gz BNQKLJYYUZRKIH-UHFFFAOYSA-N 2 1 388.512 0.558 20 0 GCADMP COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500437 1194978710 /nfs/dbraw/zinc/97/87/10/1194978710.db2.gz VUFNUINTTDIXQD-PXNSSMCTSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000515500437 1194978713 /nfs/dbraw/zinc/97/87/13/1194978713.db2.gz VUFNUINTTDIXQD-PXNSSMCTSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1C(=O)N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000515500437 1194978715 /nfs/dbraw/zinc/97/87/15/1194978715.db2.gz VUFNUINTTDIXQD-PXNSSMCTSA-N 2 1 390.484 0.122 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000436044003 1194981697 /nfs/dbraw/zinc/98/16/97/1194981697.db2.gz AQDXAEOYQBZIJE-GOSISDBHSA-N 2 1 387.528 0.485 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000436044003 1194981700 /nfs/dbraw/zinc/98/17/00/1194981700.db2.gz AQDXAEOYQBZIJE-GOSISDBHSA-N 2 1 387.528 0.485 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000436051235 1194982129 /nfs/dbraw/zinc/98/21/29/1194982129.db2.gz ABDKVRFQAXYDPV-KRWDZBQOSA-N 2 1 395.548 0.215 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000436051235 1194982130 /nfs/dbraw/zinc/98/21/30/1194982130.db2.gz ABDKVRFQAXYDPV-KRWDZBQOSA-N 2 1 395.548 0.215 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129122 1194986847 /nfs/dbraw/zinc/98/68/47/1194986847.db2.gz VYYYEIDRBMQSDY-DLBZAZTESA-N 2 1 397.564 0.416 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129122 1194986849 /nfs/dbraw/zinc/98/68/49/1194986849.db2.gz VYYYEIDRBMQSDY-DLBZAZTESA-N 2 1 397.564 0.416 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000436129122 1194986850 /nfs/dbraw/zinc/98/68/50/1194986850.db2.gz VYYYEIDRBMQSDY-DLBZAZTESA-N 2 1 397.564 0.416 20 0 GCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)CC1 ZINC000515621297 1194987697 /nfs/dbraw/zinc/98/76/97/1194987697.db2.gz WQJJRQOBMCYCES-RBUKOAKNSA-N 2 1 391.560 0.960 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000515809144 1194998329 /nfs/dbraw/zinc/99/83/29/1194998329.db2.gz ISKSRZAPNDPPMC-MOPGFXCFSA-N 2 1 387.528 0.765 20 0 GCADMP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000647941285 1195014152 /nfs/dbraw/zinc/01/41/52/1195014152.db2.gz VQYZCBGRKIILPK-INIZCTEOSA-N 2 1 382.530 0.756 20 0 GCADMP CN(C)S(=O)(=O)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000647941285 1195014155 /nfs/dbraw/zinc/01/41/55/1195014155.db2.gz VQYZCBGRKIILPK-INIZCTEOSA-N 2 1 382.530 0.756 20 0 GCADMP CNS(=O)(=O)c1cccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000516207815 1195033028 /nfs/dbraw/zinc/03/30/28/1195033028.db2.gz NYUUOQKFRAXJMX-UHFFFAOYSA-N 2 1 389.481 0.994 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000516625056 1195074925 /nfs/dbraw/zinc/07/49/25/1195074925.db2.gz SLRCJHASWVMDJK-UHFFFAOYSA-N 2 1 381.502 0.444 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000516624080 1195077753 /nfs/dbraw/zinc/07/77/53/1195077753.db2.gz IBOQDUPQGNAIFX-UHFFFAOYSA-N 2 1 393.451 0.967 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000437190717 1195081475 /nfs/dbraw/zinc/08/14/75/1195081475.db2.gz ZAUUVELKUMYCFK-ROUUACIJSA-N 2 1 380.533 0.642 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000516750706 1195090163 /nfs/dbraw/zinc/09/01/63/1195090163.db2.gz FZRWOQFZCOAYFZ-RTBURBONSA-N 2 1 389.544 0.361 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000516976235 1195119559 /nfs/dbraw/zinc/11/95/59/1195119559.db2.gz AXKPJWARCHYGCZ-JZXOWHBKSA-N 2 1 380.533 0.674 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000516976235 1195119561 /nfs/dbraw/zinc/11/95/61/1195119561.db2.gz AXKPJWARCHYGCZ-JZXOWHBKSA-N 2 1 380.533 0.674 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)CC[N@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000290103963 1195123071 /nfs/dbraw/zinc/12/30/71/1195123071.db2.gz KOJHPLRXYBJAHB-UHFFFAOYSA-N 2 1 388.516 0.731 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000290103963 1195123073 /nfs/dbraw/zinc/12/30/73/1195123073.db2.gz KOJHPLRXYBJAHB-UHFFFAOYSA-N 2 1 388.516 0.731 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517020292 1195125104 /nfs/dbraw/zinc/12/51/04/1195125104.db2.gz RSMPZUFNCOZNFI-HOTGVXAUSA-N 2 1 395.573 0.642 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)c1 ZINC000437748246 1195151036 /nfs/dbraw/zinc/15/10/36/1195151036.db2.gz RVMGQVQOXVTHFK-IBGZPJMESA-N 2 1 380.489 0.832 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186883 1195151315 /nfs/dbraw/zinc/15/13/15/1195151315.db2.gz KSBWTIPNROVLJM-OTWHNJEPSA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186883 1195151322 /nfs/dbraw/zinc/15/13/22/1195151322.db2.gz KSBWTIPNROVLJM-OTWHNJEPSA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186883 1195151324 /nfs/dbraw/zinc/15/13/24/1195151324.db2.gz KSBWTIPNROVLJM-OTWHNJEPSA-N 2 1 393.576 0.317 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000425891534 1195154800 /nfs/dbraw/zinc/15/48/00/1195154800.db2.gz YKXQQZIFCPEWHK-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000425894260 1195155345 /nfs/dbraw/zinc/15/53/45/1195155345.db2.gz YMRPEOHBRSFHFQ-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000414914461 1195159290 /nfs/dbraw/zinc/15/92/90/1195159290.db2.gz OPSLYJPBUUGNCY-UHFFFAOYSA-N 2 1 376.457 0.022 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000664678680 1195187661 /nfs/dbraw/zinc/18/76/61/1195187661.db2.gz VNVLGDVCTGHNTG-INIZCTEOSA-N 2 1 376.505 0.621 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438331947 1195206412 /nfs/dbraw/zinc/20/64/12/1195206412.db2.gz PHIZGXCKUWPUSA-QGZVFWFLSA-N 2 1 378.521 1.553 20 0 GCADMP COC(=O)CN(C)C(=O)CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425994065 1195213019 /nfs/dbraw/zinc/21/30/19/1195213019.db2.gz FLPHXJZXQQXTRI-HXUWFJFHSA-N 2 1 377.485 0.577 20 0 GCADMP COC(=O)CN(C)C(=O)CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425994065 1195213022 /nfs/dbraw/zinc/21/30/22/1195213022.db2.gz FLPHXJZXQQXTRI-HXUWFJFHSA-N 2 1 377.485 0.577 20 0 GCADMP COC(=O)CN(C)C(=O)CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425994065 1195213023 /nfs/dbraw/zinc/21/30/23/1195213023.db2.gz FLPHXJZXQQXTRI-HXUWFJFHSA-N 2 1 377.485 0.577 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1=O ZINC000517907230 1195229432 /nfs/dbraw/zinc/22/94/32/1195229432.db2.gz XULAVWDTAAPQSR-GOSISDBHSA-N 2 1 376.501 0.657 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000517936828 1195230522 /nfs/dbraw/zinc/23/05/22/1195230522.db2.gz ZOIWIGCGCBDECU-YESZJQIVSA-N 2 1 375.517 0.555 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000438704434 1195239915 /nfs/dbraw/zinc/23/99/15/1195239915.db2.gz ZMAKZDYIFXVAIC-FQEVSTJZSA-N 2 1 386.500 1.203 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414971207 1195272500 /nfs/dbraw/zinc/27/25/00/1195272500.db2.gz HXSKZERGCHLOKH-GOSISDBHSA-N 2 1 399.495 0.036 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)[nH]c1=O ZINC000439218431 1195296197 /nfs/dbraw/zinc/29/61/97/1195296197.db2.gz VKWAAAMASXUNKF-OAHLLOKOSA-N 2 1 377.489 0.909 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000518605818 1195309073 /nfs/dbraw/zinc/30/90/73/1195309073.db2.gz YPMHBCKDNXWXDG-LJQANCHMSA-N 2 1 387.528 0.260 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000518605818 1195309077 /nfs/dbraw/zinc/30/90/77/1195309077.db2.gz YPMHBCKDNXWXDG-LJQANCHMSA-N 2 1 387.528 0.260 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000518737505 1195324880 /nfs/dbraw/zinc/32/48/80/1195324880.db2.gz IVXSLLIAXZSOKM-FUHWJXTLSA-N 2 1 376.501 0.460 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000518737505 1195324885 /nfs/dbraw/zinc/32/48/85/1195324885.db2.gz IVXSLLIAXZSOKM-FUHWJXTLSA-N 2 1 376.501 0.460 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000518738545 1195324995 /nfs/dbraw/zinc/32/49/95/1195324995.db2.gz XQRYXASVQRVSGC-QZTJIDSGSA-N 2 1 381.565 0.221 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C[N@H+]1C1CC1 ZINC000518832851 1195337788 /nfs/dbraw/zinc/33/77/88/1195337788.db2.gz WYAKOSHTSBBYJR-YESZJQIVSA-N 2 1 378.517 0.299 20 0 GCADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)C(=O)N1CCOCC1 ZINC000439651353 1195339299 /nfs/dbraw/zinc/33/92/99/1195339299.db2.gz ZYWFFJGLZKEYKN-MSOLQXFVSA-N 2 1 397.564 0.681 20 0 GCADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)C(=O)N1CCOCC1 ZINC000439651356 1195339436 /nfs/dbraw/zinc/33/94/36/1195339436.db2.gz ZYWFFJGLZKEYKN-ZWKOTPCHSA-N 2 1 397.564 0.681 20 0 GCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2 ZINC000506713250 1195364564 /nfs/dbraw/zinc/36/45/64/1195364564.db2.gz AVJUEWBUDHVTRO-HXUWFJFHSA-N 2 1 394.516 0.674 20 0 GCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC2 ZINC000506713250 1195364569 /nfs/dbraw/zinc/36/45/69/1195364569.db2.gz AVJUEWBUDHVTRO-HXUWFJFHSA-N 2 1 394.516 0.674 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000506725542 1195369465 /nfs/dbraw/zinc/36/94/65/1195369465.db2.gz KOISVTGICLHAKY-QGZVFWFLSA-N 2 1 397.564 0.574 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000506725542 1195369470 /nfs/dbraw/zinc/36/94/70/1195369470.db2.gz KOISVTGICLHAKY-QGZVFWFLSA-N 2 1 397.564 0.574 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426564793 1195380854 /nfs/dbraw/zinc/38/08/54/1195380854.db2.gz INSQZQDXIDACKH-RTBURBONSA-N 2 1 382.549 0.852 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000415009886 1195394849 /nfs/dbraw/zinc/39/48/49/1195394849.db2.gz ONEQUVYOKVDIJQ-RTBURBONSA-N 2 1 382.464 0.835 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000550035517 1195419169 /nfs/dbraw/zinc/41/91/69/1195419169.db2.gz SBBGCEPKDFJXQB-HDICACEKSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000519529847 1195426801 /nfs/dbraw/zinc/42/68/01/1195426801.db2.gz XCDHFXXOZFLGQG-SFHVURJKSA-N 2 1 382.549 0.938 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000519529847 1195426803 /nfs/dbraw/zinc/42/68/03/1195426803.db2.gz XCDHFXXOZFLGQG-SFHVURJKSA-N 2 1 382.549 0.938 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550094239 1195434540 /nfs/dbraw/zinc/43/45/40/1195434540.db2.gz FICJJJRHIAHIQC-QGZVFWFLSA-N 2 1 379.505 0.561 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550094239 1195434543 /nfs/dbraw/zinc/43/45/43/1195434543.db2.gz FICJJJRHIAHIQC-QGZVFWFLSA-N 2 1 379.505 0.561 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000550094237 1195434634 /nfs/dbraw/zinc/43/46/34/1195434634.db2.gz FICJJJRHIAHIQC-KRWDZBQOSA-N 2 1 379.505 0.561 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550094237 1195434636 /nfs/dbraw/zinc/43/46/36/1195434636.db2.gz FICJJJRHIAHIQC-KRWDZBQOSA-N 2 1 379.505 0.561 20 0 GCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550095283 1195435235 /nfs/dbraw/zinc/43/52/35/1195435235.db2.gz GCTAMXYCZXPQGI-MSOLQXFVSA-N 2 1 382.549 0.650 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000550099458 1195436930 /nfs/dbraw/zinc/43/69/30/1195436930.db2.gz USYGONWMSDZLDC-GOSISDBHSA-N 2 1 382.549 0.698 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CC1 ZINC000550129076 1195444566 /nfs/dbraw/zinc/44/45/66/1195444566.db2.gz DAYULRJARBRLQV-KRWDZBQOSA-N 2 1 381.565 0.367 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](CCOCC)[C@@H](CC)C2)CC1 ZINC000550151314 1195448235 /nfs/dbraw/zinc/44/82/35/1195448235.db2.gz BVDVDIRRXLXGAI-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](CCOCC)[C@@H](CC)C2)CC1 ZINC000550151314 1195448239 /nfs/dbraw/zinc/44/82/39/1195448239.db2.gz BVDVDIRRXLXGAI-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832819 1195451033 /nfs/dbraw/zinc/45/10/33/1195451033.db2.gz MBHNNVPAHCICAM-HRCADAONSA-N 2 1 391.582 0.276 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832819 1195451034 /nfs/dbraw/zinc/45/10/34/1195451034.db2.gz MBHNNVPAHCICAM-HRCADAONSA-N 2 1 391.582 0.276 20 0 GCADMP CC[C@H](CNC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000519593206 1195500298 /nfs/dbraw/zinc/50/02/98/1195500298.db2.gz XRUIPLZUEVNIQE-RTBURBONSA-N 2 1 387.528 0.041 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614277 1195542937 /nfs/dbraw/zinc/54/29/37/1195542937.db2.gz YBTMPRNLPOKBOI-XFKSJGNHSA-N 2 1 392.544 0.674 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614271 1195543153 /nfs/dbraw/zinc/54/31/53/1195543153.db2.gz YBTMPRNLPOKBOI-RMJJICAUSA-N 2 1 392.544 0.674 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519713736 1195566862 /nfs/dbraw/zinc/56/68/62/1195566862.db2.gz UFGFXQHIIJMUGI-OVWQWFNUSA-N 2 1 376.501 0.634 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519713736 1195566865 /nfs/dbraw/zinc/56/68/65/1195566865.db2.gz UFGFXQHIIJMUGI-OVWQWFNUSA-N 2 1 376.501 0.634 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519713706 1195566994 /nfs/dbraw/zinc/56/69/94/1195566994.db2.gz UFGFXQHIIJMUGI-CUSZFKRNSA-N 2 1 376.501 0.634 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519713706 1195566997 /nfs/dbraw/zinc/56/69/97/1195566997.db2.gz UFGFXQHIIJMUGI-CUSZFKRNSA-N 2 1 376.501 0.634 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000519750712 1195567827 /nfs/dbraw/zinc/56/78/27/1195567827.db2.gz KWMQXSWBFMKSEO-OAQYLSRUSA-N 2 1 392.544 0.502 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000519754121 1195569513 /nfs/dbraw/zinc/56/95/13/1195569513.db2.gz BLHBQDNAJCMBGJ-HRCADAONSA-N 2 1 393.557 0.396 20 0 GCADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000519828631 1195574262 /nfs/dbraw/zinc/57/42/62/1195574262.db2.gz QXSLBPPPDFZSNF-SFHVURJKSA-N 2 1 382.549 0.840 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@H]1C ZINC000441090988 1195602541 /nfs/dbraw/zinc/60/25/41/1195602541.db2.gz UNLVRMIOSIDNAG-HZPDHXFCSA-N 2 1 392.504 0.095 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@@H]1C ZINC000441090991 1195602584 /nfs/dbraw/zinc/60/25/84/1195602584.db2.gz UNLVRMIOSIDNAG-JKSUJKDBSA-N 2 1 392.504 0.095 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285074 1195616201 /nfs/dbraw/zinc/61/62/01/1195616201.db2.gz KSRJDWLWDJOTJF-VQIMIIECSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579239901 1195624103 /nfs/dbraw/zinc/62/41/03/1195624103.db2.gz SAVBWKBAUIEDBH-GFOFROLCSA-N 2 1 392.525 0.671 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579239901 1195624114 /nfs/dbraw/zinc/62/41/14/1195624114.db2.gz SAVBWKBAUIEDBH-GFOFROLCSA-N 2 1 392.525 0.671 20 0 GCADMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OCC(N)=O ZINC000441367692 1195628883 /nfs/dbraw/zinc/62/88/83/1195628883.db2.gz IRPRPCIOATYROM-UHFFFAOYSA-N 2 1 394.516 0.684 20 0 GCADMP C[NH+]1CC[C@H]2CN(c3nc(C(N)=O)cc(N4CC[C@H]5[C@H](CC[N@@H+]5C)C4)n3)CC[C@H]21 ZINC000895020888 1195650872 /nfs/dbraw/zinc/65/08/72/1195650872.db2.gz CZLCGHPZDCSURS-MXSMSXNCSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@@H](CC[N@@H+]5C)C4)n3)CC[C@@H]21 ZINC000895020888 1195650875 /nfs/dbraw/zinc/65/08/75/1195650875.db2.gz CZLCGHPZDCSURS-MXSMSXNCSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@@H](CC[N@H+]5C)C4)n3)CC[C@@H]21 ZINC000895020888 1195650878 /nfs/dbraw/zinc/65/08/78/1195650878.db2.gz CZLCGHPZDCSURS-MXSMSXNCSA-N 2 1 399.543 0.636 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383888 1195651367 /nfs/dbraw/zinc/65/13/67/1195651367.db2.gz WSDJNWRSBCXKGQ-FUHWJXTLSA-N 2 1 379.549 0.141 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383887 1195651523 /nfs/dbraw/zinc/65/15/23/1195651523.db2.gz WSDJNWRSBCXKGQ-AEFFLSMTSA-N 2 1 379.549 0.141 20 0 GCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@H](C[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000425390622 1195743382 /nfs/dbraw/zinc/74/33/82/1195743382.db2.gz RBBKUSDGIGASAT-FGTMMUONSA-N 2 1 378.517 0.110 20 0 GCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000182012031 1195782608 /nfs/dbraw/zinc/78/26/08/1195782608.db2.gz MONJOYRGMZCPAO-OTWHNJEPSA-N 2 1 382.549 0.852 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551492 1195785013 /nfs/dbraw/zinc/78/50/13/1195785013.db2.gz DHGKSMCZAFMCAD-IRXDYDNUSA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551492 1195785016 /nfs/dbraw/zinc/78/50/16/1195785016.db2.gz DHGKSMCZAFMCAD-IRXDYDNUSA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551492 1195785019 /nfs/dbraw/zinc/78/50/19/1195785019.db2.gz DHGKSMCZAFMCAD-IRXDYDNUSA-N 2 1 383.537 0.230 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520551142 1195785116 /nfs/dbraw/zinc/78/51/16/1195785116.db2.gz NZJHEVMVWYEPLX-QXAKKESOSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520551142 1195785119 /nfs/dbraw/zinc/78/51/19/1195785119.db2.gz NZJHEVMVWYEPLX-QXAKKESOSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000520646708 1195812664 /nfs/dbraw/zinc/81/26/64/1195812664.db2.gz BSPCHXKFQKNINB-HNNXBMFYSA-N 2 1 389.500 0.405 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000520747492 1195843867 /nfs/dbraw/zinc/84/38/67/1195843867.db2.gz XQVBGOMCGMOFKB-IBGZPJMESA-N 2 1 389.544 0.955 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000520747492 1195843871 /nfs/dbraw/zinc/84/38/71/1195843871.db2.gz XQVBGOMCGMOFKB-IBGZPJMESA-N 2 1 389.544 0.955 20 0 GCADMP CCOCCNC(=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000550445850 1195872708 /nfs/dbraw/zinc/87/27/08/1195872708.db2.gz VCDMUPPZDZDRRX-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[N@H+]1C ZINC001075809068 1195928358 /nfs/dbraw/zinc/92/83/58/1195928358.db2.gz QTRQBDKRXJUWIL-BZZMCLGOSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001075809068 1195928360 /nfs/dbraw/zinc/92/83/60/1195928360.db2.gz QTRQBDKRXJUWIL-BZZMCLGOSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001075809068 1195928362 /nfs/dbraw/zinc/92/83/62/1195928362.db2.gz QTRQBDKRXJUWIL-BZZMCLGOSA-N 2 1 383.558 0.684 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000442009748 1195942109 /nfs/dbraw/zinc/94/21/09/1195942109.db2.gz ZGECVKMSKIDIOW-INIZCTEOSA-N 2 1 378.473 0.402 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000521036012 1195955718 /nfs/dbraw/zinc/95/57/18/1195955718.db2.gz JEJPIWFXMLSWDD-HUUCEWRRSA-N 2 1 379.530 0.021 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000550456292 1195961403 /nfs/dbraw/zinc/96/14/03/1195961403.db2.gz ILRAHEZLKPXJBC-QZTJIDSGSA-N 2 1 398.548 0.029 20 0 GCADMP CCC[NH+]1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521106492 1195962636 /nfs/dbraw/zinc/96/26/36/1195962636.db2.gz OLCDSLKBVFBYGU-SFHVURJKSA-N 2 1 380.533 0.690 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000550457391 1195968207 /nfs/dbraw/zinc/96/82/07/1195968207.db2.gz QWKOVSQPNOGXHZ-INDMIFKZSA-N 2 1 396.576 0.942 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000550457748 1195983984 /nfs/dbraw/zinc/98/39/84/1195983984.db2.gz NFXNIVGVXBRILG-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000550457782 1195984573 /nfs/dbraw/zinc/98/45/73/1195984573.db2.gz NWQDBEJOCQFMKQ-SQNIBIBYSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C[C@H]1C ZINC000550457782 1195984574 /nfs/dbraw/zinc/98/45/74/1195984574.db2.gz NWQDBEJOCQFMKQ-SQNIBIBYSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C[C@H]1C ZINC000550457782 1195984576 /nfs/dbraw/zinc/98/45/76/1195984576.db2.gz NWQDBEJOCQFMKQ-SQNIBIBYSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457781 1195984687 /nfs/dbraw/zinc/98/46/87/1195984687.db2.gz NWQDBEJOCQFMKQ-OKZBNKHCSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457781 1195984689 /nfs/dbraw/zinc/98/46/89/1195984689.db2.gz NWQDBEJOCQFMKQ-OKZBNKHCSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C[C@@H]1C ZINC000550457781 1195984691 /nfs/dbraw/zinc/98/46/91/1195984691.db2.gz NWQDBEJOCQFMKQ-OKZBNKHCSA-N 2 1 382.549 0.791 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000550458802 1195988280 /nfs/dbraw/zinc/98/82/80/1195988280.db2.gz RWVXBEJNKNTCKZ-MSOLQXFVSA-N 2 1 382.549 0.840 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000521479988 1195997780 /nfs/dbraw/zinc/99/77/80/1195997780.db2.gz PXZQFTFBSYNPDE-GOSISDBHSA-N 2 1 390.528 0.804 20 0 GCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000521479988 1195997783 /nfs/dbraw/zinc/99/77/83/1195997783.db2.gz PXZQFTFBSYNPDE-GOSISDBHSA-N 2 1 390.528 0.804 20 0 GCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000521479988 1195997785 /nfs/dbraw/zinc/99/77/85/1195997785.db2.gz PXZQFTFBSYNPDE-GOSISDBHSA-N 2 1 390.528 0.804 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000521480978 1195999321 /nfs/dbraw/zinc/99/93/21/1195999321.db2.gz CPYPREWITWORLW-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775128 1196002238 /nfs/dbraw/zinc/00/22/38/1196002238.db2.gz BKBORIRVFOASTA-JKSUJKDBSA-N 2 1 380.514 0.189 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775128 1196002243 /nfs/dbraw/zinc/00/22/43/1196002243.db2.gz BKBORIRVFOASTA-JKSUJKDBSA-N 2 1 380.514 0.189 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775121 1196002391 /nfs/dbraw/zinc/00/23/91/1196002391.db2.gz BKBORIRVFOASTA-HZPDHXFCSA-N 2 1 380.514 0.189 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775121 1196002394 /nfs/dbraw/zinc/00/23/94/1196002394.db2.gz BKBORIRVFOASTA-HZPDHXFCSA-N 2 1 380.514 0.189 20 0 GCADMP COCC[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642181 1196008150 /nfs/dbraw/zinc/00/81/50/1196008150.db2.gz XIXKRFBCDONWPG-VXKWHMMOSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000521642181 1196008151 /nfs/dbraw/zinc/00/81/51/1196008151.db2.gz XIXKRFBCDONWPG-VXKWHMMOSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000521642181 1196008154 /nfs/dbraw/zinc/00/81/54/1196008154.db2.gz XIXKRFBCDONWPG-VXKWHMMOSA-N 2 1 390.572 0.818 20 0 GCADMP COc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)NCCn2cc[nH+]c2C)c1 ZINC000521653741 1196009535 /nfs/dbraw/zinc/00/95/35/1196009535.db2.gz ZMZVWZAGNFLEAT-UHFFFAOYSA-N 2 1 387.484 0.907 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065479 1196017790 /nfs/dbraw/zinc/01/77/90/1196017790.db2.gz ZXBHPTJBYJFCOA-KGLIPLIRSA-N 2 1 380.514 0.672 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061371 1196017840 /nfs/dbraw/zinc/01/78/40/1196017840.db2.gz RJTHDRDIEDXEID-HOCLYGCPSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000443061646 1196017847 /nfs/dbraw/zinc/01/78/47/1196017847.db2.gz RWZLDYLCRYJABO-KKUMJFAQSA-N 2 1 382.530 0.961 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCN1C(=O)NC(C)(C)C1=O ZINC001087578260 1196050178 /nfs/dbraw/zinc/05/01/78/1196050178.db2.gz KVPGVWAHJBAFNZ-LVQVYYBASA-N 2 1 393.532 0.626 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCN1C(=O)NC(C)(C)C1=O ZINC001087578260 1196050181 /nfs/dbraw/zinc/05/01/81/1196050181.db2.gz KVPGVWAHJBAFNZ-LVQVYYBASA-N 2 1 393.532 0.626 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCN1C(=O)NC(C)(C)C1=O ZINC001087578260 1196050183 /nfs/dbraw/zinc/05/01/83/1196050183.db2.gz KVPGVWAHJBAFNZ-LVQVYYBASA-N 2 1 393.532 0.626 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000550481607 1196053566 /nfs/dbraw/zinc/05/35/66/1196053566.db2.gz TUCOTJHOLXIZEP-SFHVURJKSA-N 2 1 393.576 0.319 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000550481607 1196053567 /nfs/dbraw/zinc/05/35/67/1196053567.db2.gz TUCOTJHOLXIZEP-SFHVURJKSA-N 2 1 393.576 0.319 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000550481607 1196053571 /nfs/dbraw/zinc/05/35/71/1196053571.db2.gz TUCOTJHOLXIZEP-SFHVURJKSA-N 2 1 393.576 0.319 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000522286849 1196072403 /nfs/dbraw/zinc/07/24/03/1196072403.db2.gz ZUGXNICLINNGCS-UHFFFAOYSA-N 2 1 383.537 0.291 20 0 GCADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000114587366 1196106017 /nfs/dbraw/zinc/10/60/17/1196106017.db2.gz CLIFVFFKPCUUEX-MOPGFXCFSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000114587366 1196106018 /nfs/dbraw/zinc/10/60/18/1196106018.db2.gz CLIFVFFKPCUUEX-MOPGFXCFSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000114587366 1196106021 /nfs/dbraw/zinc/10/60/21/1196106021.db2.gz CLIFVFFKPCUUEX-MOPGFXCFSA-N 2 1 383.581 0.796 20 0 GCADMP CC(C)(C)[NH+]1CCC(NC(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000114590311 1196106774 /nfs/dbraw/zinc/10/67/74/1196106774.db2.gz ZVIYWYLDJJDTLX-UHFFFAOYSA-N 2 1 383.581 0.939 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CCO1 ZINC000417906221 1196117546 /nfs/dbraw/zinc/11/75/46/1196117546.db2.gz ZGWDRXUOVZRIGB-KRWDZBQOSA-N 2 1 381.908 0.831 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443764298 1196142163 /nfs/dbraw/zinc/14/21/63/1196142163.db2.gz MMWQPMBZSHUDPJ-IRXDYDNUSA-N 2 1 399.561 0.881 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCN(Cc4nc(=O)n(C)[nH]4)C[C@H]3C2)CC[N@H+]1C ZINC001087972256 1196142409 /nfs/dbraw/zinc/14/24/09/1196142409.db2.gz SXPBAOCJBASMTK-FXUDXRNXSA-N 2 1 376.505 0.119 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4CCNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087972309 1196142656 /nfs/dbraw/zinc/14/26/56/1196142656.db2.gz WGGUULAHFYCJFS-VSZNYVQBSA-N 2 1 377.533 0.522 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCN4CCNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087972309 1196142658 /nfs/dbraw/zinc/14/26/58/1196142658.db2.gz WGGUULAHFYCJFS-VSZNYVQBSA-N 2 1 377.533 0.522 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)O2)CC[NH+]1C ZINC000332991521 1196147025 /nfs/dbraw/zinc/14/70/25/1196147025.db2.gz BXCZVHUEALGEKE-PTZATXGZSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[NH+](C)[C@@H](C)C3)O2)CC[N@@H+]1C ZINC000332991521 1196147026 /nfs/dbraw/zinc/14/70/26/1196147026.db2.gz BXCZVHUEALGEKE-PTZATXGZSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[NH+](C)[C@@H](C)C3)O2)CC[N@H+]1C ZINC000332991521 1196147027 /nfs/dbraw/zinc/14/70/27/1196147027.db2.gz BXCZVHUEALGEKE-PTZATXGZSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896533266 1196154627 /nfs/dbraw/zinc/15/46/27/1196154627.db2.gz HASWWWDCXSWLFA-XHSDSOJGSA-N 2 1 385.553 0.582 20 0 GCADMP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000329052756 1196159962 /nfs/dbraw/zinc/15/99/62/1196159962.db2.gz LIEBPFZWPUZDIP-RHQZKXFESA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000329052756 1196159964 /nfs/dbraw/zinc/15/99/64/1196159964.db2.gz LIEBPFZWPUZDIP-RHQZKXFESA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000329052756 1196159965 /nfs/dbraw/zinc/15/99/65/1196159965.db2.gz LIEBPFZWPUZDIP-RHQZKXFESA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000329052754 1196160017 /nfs/dbraw/zinc/16/00/17/1196160017.db2.gz LIEBPFZWPUZDIP-PJVZLEMVSA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)[C@H]2C1 ZINC000329052754 1196160020 /nfs/dbraw/zinc/16/00/20/1196160020.db2.gz LIEBPFZWPUZDIP-PJVZLEMVSA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)[C@H]2C1 ZINC000329052754 1196160021 /nfs/dbraw/zinc/16/00/21/1196160021.db2.gz LIEBPFZWPUZDIP-PJVZLEMVSA-N 2 1 392.544 0.233 20 0 GCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329135505 1196167242 /nfs/dbraw/zinc/16/72/42/1196167242.db2.gz GJTDAXBTPYVNAY-IBGZPJMESA-N 2 1 393.576 0.558 20 0 GCADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329135505 1196167244 /nfs/dbraw/zinc/16/72/44/1196167244.db2.gz GJTDAXBTPYVNAY-IBGZPJMESA-N 2 1 393.576 0.558 20 0 GCADMP O=C(CC(O)CC(=O)N1CC[N@H+]2CCCC[C@H]2C1)N1CC[NH+]2CCCC[C@H]2C1 ZINC000329214856 1196177151 /nfs/dbraw/zinc/17/71/51/1196177151.db2.gz LULJQZXXMTZQPG-ROUUACIJSA-N 2 1 392.544 0.521 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329238687 1196178711 /nfs/dbraw/zinc/17/87/11/1196178711.db2.gz LIXGMRHSVLYJNE-MJGOQNOKSA-N 2 1 394.560 0.888 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329354383 1196188067 /nfs/dbraw/zinc/18/80/67/1196188067.db2.gz GKAYIKRFEPREFY-RTBURBONSA-N 2 1 392.544 0.787 20 0 GCADMP CC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329356240 1196188213 /nfs/dbraw/zinc/18/82/13/1196188213.db2.gz GYHOSSOMGZJBJN-SFHVURJKSA-N 2 1 380.533 0.642 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329354381 1196188334 /nfs/dbraw/zinc/18/83/34/1196188334.db2.gz GKAYIKRFEPREFY-OALUTQOASA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329358041 1196188843 /nfs/dbraw/zinc/18/88/43/1196188843.db2.gz GCIOEQQHKCVMTD-CEXWTWQISA-N 2 1 392.544 0.785 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984945915 1196250105 /nfs/dbraw/zinc/25/01/05/1196250105.db2.gz KARVQKXBQARGSQ-ZJPYXAASSA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)CC[NH+]1CCOCC1 ZINC000984945915 1196250108 /nfs/dbraw/zinc/25/01/08/1196250108.db2.gz KARVQKXBQARGSQ-ZJPYXAASSA-N 2 1 380.533 0.545 20 0 GCADMP C[NH+]1CCCN(C(=O)C2(CC(=O)N3CCC[N@H+](C)CC3)CCOCC2)CC1 ZINC000330153346 1196256473 /nfs/dbraw/zinc/25/64/73/1196256473.db2.gz MRBHVDOIIKWLHT-UHFFFAOYSA-N 2 1 380.533 0.502 20 0 GCADMP C[NH+]1CCCN(C(=O)CC2(C(=O)N3CCC[N@H+](C)CC3)CCOCC2)CC1 ZINC000330153346 1196256477 /nfs/dbraw/zinc/25/64/77/1196256477.db2.gz MRBHVDOIIKWLHT-UHFFFAOYSA-N 2 1 380.533 0.502 20 0 GCADMP C[NH+]1CCCN(C(=O)CC2(C(=O)N3CCC[N@@H+](C)CC3)CCOCC2)CC1 ZINC000330153346 1196256480 /nfs/dbraw/zinc/25/64/80/1196256480.db2.gz MRBHVDOIIKWLHT-UHFFFAOYSA-N 2 1 380.533 0.502 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)c3cncc(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)c3)C[C@H]2C1 ZINC000330187035 1196258807 /nfs/dbraw/zinc/25/88/07/1196258807.db2.gz SORCBJIFBJMSIT-QGFMHUBQSA-N 2 1 383.496 0.349 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CC)O1 ZINC000665529648 1196304863 /nfs/dbraw/zinc/30/48/63/1196304863.db2.gz QGMXXCAUCLINSM-USTZCAOPSA-N 2 1 380.533 0.735 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC)O1 ZINC000665529648 1196304866 /nfs/dbraw/zinc/30/48/66/1196304866.db2.gz QGMXXCAUCLINSM-USTZCAOPSA-N 2 1 380.533 0.735 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC)O1 ZINC000665529648 1196304873 /nfs/dbraw/zinc/30/48/73/1196304873.db2.gz QGMXXCAUCLINSM-USTZCAOPSA-N 2 1 380.533 0.735 20 0 GCADMP COC[C@]1(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCC[NH2+]1 ZINC000417985060 1196418864 /nfs/dbraw/zinc/41/88/64/1196418864.db2.gz DYYRKUWJTBSSEE-AZUAARDMSA-N 2 1 376.501 0.821 20 0 GCADMP COCCNc1nc(N2CCC[NH+](C)CC2)nc(N2CCC[N@@H+](C)CC2)n1 ZINC000301798510 1196434830 /nfs/dbraw/zinc/43/48/30/1196434830.db2.gz UWZLYKVHRJGDGF-UHFFFAOYSA-N 2 1 378.525 0.214 20 0 GCADMP CN(c1ccccc1C[N@@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000897283005 1196439025 /nfs/dbraw/zinc/43/90/25/1196439025.db2.gz AIAPCVSDJBMECC-SFHVURJKSA-N 2 1 393.557 0.551 20 0 GCADMP CN(c1ccccc1C[N@H+]1CCN2[C@@H](CNS2(=O)=O)C1)C1CC[NH+](C)CC1 ZINC000897283005 1196439028 /nfs/dbraw/zinc/43/90/28/1196439028.db2.gz AIAPCVSDJBMECC-SFHVURJKSA-N 2 1 393.557 0.551 20 0 GCADMP CC1(C)CCC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000444611303 1196508430 /nfs/dbraw/zinc/50/84/30/1196508430.db2.gz FXQLJFKSESGCTB-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP CC1(C)CCC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000444611303 1196508434 /nfs/dbraw/zinc/50/84/34/1196508434.db2.gz FXQLJFKSESGCTB-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP O=C(C[N@@H+](CCO)C1CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000444768004 1196520691 /nfs/dbraw/zinc/52/06/91/1196520691.db2.gz BKLOJVUISDOVIY-UHFFFAOYSA-N 2 1 383.533 0.611 20 0 GCADMP O=C(C[N@H+](CCO)C1CCOCC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000444768004 1196520695 /nfs/dbraw/zinc/52/06/95/1196520695.db2.gz BKLOJVUISDOVIY-UHFFFAOYSA-N 2 1 383.533 0.611 20 0 GCADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000523918103 1196566448 /nfs/dbraw/zinc/56/64/48/1196566448.db2.gz CYJYJLOBNINEFE-KRWDZBQOSA-N 2 1 383.537 0.339 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914646 1196567651 /nfs/dbraw/zinc/56/76/51/1196567651.db2.gz JZGVLPZWJMYFHS-KSZLIROESA-N 2 1 397.564 0.728 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914646 1196567659 /nfs/dbraw/zinc/56/76/59/1196567659.db2.gz JZGVLPZWJMYFHS-KSZLIROESA-N 2 1 397.564 0.728 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914646 1196567660 /nfs/dbraw/zinc/56/76/60/1196567660.db2.gz JZGVLPZWJMYFHS-KSZLIROESA-N 2 1 397.564 0.728 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419717 1196594438 /nfs/dbraw/zinc/59/44/38/1196594438.db2.gz YSFHNYOBZDMLGH-MOPGFXCFSA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000524419717 1196594442 /nfs/dbraw/zinc/59/44/42/1196594442.db2.gz YSFHNYOBZDMLGH-MOPGFXCFSA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000524419717 1196594446 /nfs/dbraw/zinc/59/44/46/1196594446.db2.gz YSFHNYOBZDMLGH-MOPGFXCFSA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000524563890 1196605688 /nfs/dbraw/zinc/60/56/88/1196605688.db2.gz MTERLMRAWLGDLE-SJORKVTESA-N 2 1 395.548 0.374 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446365045 1196637946 /nfs/dbraw/zinc/63/79/46/1196637946.db2.gz YQNBNRNPYNQKLK-NARAOEGZSA-N 2 1 380.533 0.578 20 0 GCADMP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000525124176 1196651330 /nfs/dbraw/zinc/65/13/30/1196651330.db2.gz MXMYFYUAMHGILT-UHFFFAOYSA-N 2 1 397.564 0.884 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000525303291 1196666130 /nfs/dbraw/zinc/66/61/30/1196666130.db2.gz QEGDMCPZGYEAQB-MRXNPFEDSA-N 2 1 397.564 0.762 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@H]3CCCC[N@H+](C)C3)C[C@H]2C)CC1 ZINC000624614289 1196678401 /nfs/dbraw/zinc/67/84/01/1196678401.db2.gz OITXBXDGJJVSLT-BHIYHBOVSA-N 2 1 379.549 0.912 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)C[C@H]2C)CC1 ZINC000624614289 1196678402 /nfs/dbraw/zinc/67/84/02/1196678402.db2.gz OITXBXDGJJVSLT-BHIYHBOVSA-N 2 1 379.549 0.912 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 ZINC000525704390 1196701998 /nfs/dbraw/zinc/70/19/98/1196701998.db2.gz PIOURRRXRDTHAA-GJZGRUSLSA-N 2 1 385.468 0.947 20 0 GCADMP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525779751 1196709217 /nfs/dbraw/zinc/70/92/17/1196709217.db2.gz BOXXWWSOEPBSKV-LJQANCHMSA-N 2 1 394.560 0.888 20 0 GCADMP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525779751 1196709220 /nfs/dbraw/zinc/70/92/20/1196709220.db2.gz BOXXWWSOEPBSKV-LJQANCHMSA-N 2 1 394.560 0.888 20 0 GCADMP C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]([NH3+])c1ccccc1I ZINC001357967643 1196709238 /nfs/dbraw/zinc/70/92/38/1196709238.db2.gz ZIORNTCKWKDQTA-SKDRFNHKSA-N 2 1 377.226 0.330 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519523 1196809211 /nfs/dbraw/zinc/80/92/11/1196809211.db2.gz DWNRGEBOOWIOKX-RBUKOAKNSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000448519523 1196809215 /nfs/dbraw/zinc/80/92/15/1196809215.db2.gz DWNRGEBOOWIOKX-RBUKOAKNSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000448519523 1196809221 /nfs/dbraw/zinc/80/92/21/1196809221.db2.gz DWNRGEBOOWIOKX-RBUKOAKNSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000448855481 1196835050 /nfs/dbraw/zinc/83/50/50/1196835050.db2.gz YZJLRQIIJXLTSH-INIZCTEOSA-N 2 1 388.520 0.797 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528717784 1196880954 /nfs/dbraw/zinc/88/09/54/1196880954.db2.gz FCKRGCULGKMARX-QGZVFWFLSA-N 2 1 387.484 0.939 20 0 GCADMP CC(C)Nc1nc(N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000450814772 1196955898 /nfs/dbraw/zinc/95/58/98/1196955898.db2.gz WEAMPKFTIOLRAS-QGZVFWFLSA-N 2 1 399.543 0.898 20 0 GCADMP CC(C)Nc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)nc(NCCO)[nH+]1 ZINC000450814772 1196955901 /nfs/dbraw/zinc/95/59/01/1196955901.db2.gz WEAMPKFTIOLRAS-QGZVFWFLSA-N 2 1 399.543 0.898 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576821 1196996188 /nfs/dbraw/zinc/99/61/88/1196996188.db2.gz PUKOHESHLZZMNY-RBBKRZOGSA-N 2 1 386.540 0.862 20 0 GCADMP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000530566962 1196996802 /nfs/dbraw/zinc/99/68/02/1196996802.db2.gz OQZXQOWLIIKIOD-KRWDZBQOSA-N 2 1 388.512 0.958 20 0 GCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C1 ZINC000530566962 1196996803 /nfs/dbraw/zinc/99/68/03/1196996803.db2.gz OQZXQOWLIIKIOD-KRWDZBQOSA-N 2 1 388.512 0.958 20 0 GCADMP C[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000452127796 1197040352 /nfs/dbraw/zinc/04/03/52/1197040352.db2.gz SYTSVGCAARGDGH-CAYXOIJASA-N 2 1 388.556 0.977 20 0 GCADMP C[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)[C@@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000452127796 1197040357 /nfs/dbraw/zinc/04/03/57/1197040357.db2.gz SYTSVGCAARGDGH-CAYXOIJASA-N 2 1 388.556 0.977 20 0 GCADMP C[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)[C@@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000452127796 1197040361 /nfs/dbraw/zinc/04/03/61/1197040361.db2.gz SYTSVGCAARGDGH-CAYXOIJASA-N 2 1 388.556 0.977 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358962 1197054627 /nfs/dbraw/zinc/05/46/27/1197054627.db2.gz GWSPXGCNHBEELF-KZNAEPCWSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452358962 1197054631 /nfs/dbraw/zinc/05/46/31/1197054631.db2.gz GWSPXGCNHBEELF-KZNAEPCWSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC000452358962 1197054637 /nfs/dbraw/zinc/05/46/37/1197054637.db2.gz GWSPXGCNHBEELF-KZNAEPCWSA-N 2 1 380.533 0.282 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358963 1197054935 /nfs/dbraw/zinc/05/49/35/1197054935.db2.gz GWSPXGCNHBEELF-OKZBNKHCSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452358963 1197054938 /nfs/dbraw/zinc/05/49/38/1197054938.db2.gz GWSPXGCNHBEELF-OKZBNKHCSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC000452358963 1197054942 /nfs/dbraw/zinc/05/49/42/1197054942.db2.gz GWSPXGCNHBEELF-OKZBNKHCSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@]2(N3CCOCC3)CCSC2)[C@@H](C)C1 ZINC000376638382 1197080963 /nfs/dbraw/zinc/08/09/63/1197080963.db2.gz BDKSGVGVFXPBDL-XYJFISCASA-N 2 1 386.562 0.291 20 0 GCADMP CC1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000452969728 1197091040 /nfs/dbraw/zinc/09/10/40/1197091040.db2.gz DJTYASOIMOKLEH-GFLQDLJJSA-N 2 1 388.556 0.974 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000531661396 1197091199 /nfs/dbraw/zinc/09/11/99/1197091199.db2.gz IOYQUPKFQNSDKR-SQNIBIBYSA-N 2 1 395.548 0.516 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000531661396 1197091202 /nfs/dbraw/zinc/09/12/02/1197091202.db2.gz IOYQUPKFQNSDKR-SQNIBIBYSA-N 2 1 395.548 0.516 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532334098 1197145350 /nfs/dbraw/zinc/14/53/50/1197145350.db2.gz WBZXZXYZFXCNPS-DTDBQYNISA-N 2 1 378.517 0.201 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000532334098 1197145352 /nfs/dbraw/zinc/14/53/52/1197145352.db2.gz WBZXZXYZFXCNPS-DTDBQYNISA-N 2 1 378.517 0.201 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000532334098 1197145354 /nfs/dbraw/zinc/14/53/54/1197145354.db2.gz WBZXZXYZFXCNPS-DTDBQYNISA-N 2 1 378.517 0.201 20 0 GCADMP C[C@@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304973 1197156781 /nfs/dbraw/zinc/15/67/81/1197156781.db2.gz VYHKJTWAXXTGBE-BBWFWOEESA-N 2 1 394.560 0.920 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CCN4CCOCC4)cc3)C[C@@H]21 ZINC000453919027 1197162082 /nfs/dbraw/zinc/16/20/82/1197162082.db2.gz DHIALVMQDSHLGD-MJGOQNOKSA-N 2 1 386.496 0.662 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccc(CC[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000453919027 1197162087 /nfs/dbraw/zinc/16/20/87/1197162087.db2.gz DHIALVMQDSHLGD-MJGOQNOKSA-N 2 1 386.496 0.662 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)C[C@@H]21 ZINC000453921646 1197178310 /nfs/dbraw/zinc/17/83/10/1197178310.db2.gz GNGNCFMWDCVJNF-MJGOQNOKSA-N 2 1 385.512 0.535 20 0 GCADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177293571 1197191035 /nfs/dbraw/zinc/19/10/35/1197191035.db2.gz JPYSJZDZUSLWFX-OAHLLOKOSA-N 2 1 382.530 0.752 20 0 GCADMP O=C(NC1CC1)[C@H]1CCC[N@H+]1CCOCC[NH+]1CCC[C@H]1C(=O)NC1CC1 ZINC000178593522 1197195296 /nfs/dbraw/zinc/19/52/96/1197195296.db2.gz PMBMEEUBPSTTKK-HDICACEKSA-N 2 1 378.517 0.489 20 0 GCADMP O=C(NC1CC1)[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000178593522 1197195298 /nfs/dbraw/zinc/19/52/98/1197195298.db2.gz PMBMEEUBPSTTKK-HDICACEKSA-N 2 1 378.517 0.489 20 0 GCADMP O=C(NC1CC1)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000178593522 1197195299 /nfs/dbraw/zinc/19/52/99/1197195299.db2.gz PMBMEEUBPSTTKK-HDICACEKSA-N 2 1 378.517 0.489 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)C[C@H]2C1 ZINC000192487674 1197246534 /nfs/dbraw/zinc/24/65/34/1197246534.db2.gz OOFOYCWYQPRADC-WMDIELAYSA-N 2 1 388.556 0.833 20 0 GCADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000897422873 1197246988 /nfs/dbraw/zinc/24/69/88/1197246988.db2.gz IEEJVTLQDHGYKX-UHFFFAOYSA-N 2 1 376.501 0.796 20 0 GCADMP C[NH+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000897422873 1197246989 /nfs/dbraw/zinc/24/69/89/1197246989.db2.gz IEEJVTLQDHGYKX-UHFFFAOYSA-N 2 1 376.501 0.796 20 0 GCADMP CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(C)C(C)(C)C3)ccn2)CC1 ZINC000897425237 1197249908 /nfs/dbraw/zinc/24/99/08/1197249908.db2.gz ZHBNRSQLYZKLLX-UHFFFAOYSA-N 2 1 388.516 0.002 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000123434656 1197284138 /nfs/dbraw/zinc/28/41/38/1197284138.db2.gz UOFGTWIHIIITCM-YJBOKZPZSA-N 2 1 376.501 0.896 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319304 1197326257 /nfs/dbraw/zinc/32/62/57/1197326257.db2.gz ICXAGVSEVRSMDT-RBUKOAKNSA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319304 1197326261 /nfs/dbraw/zinc/32/62/61/1197326261.db2.gz ICXAGVSEVRSMDT-RBUKOAKNSA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319304 1197326265 /nfs/dbraw/zinc/32/62/65/1197326265.db2.gz ICXAGVSEVRSMDT-RBUKOAKNSA-N 2 1 393.576 0.463 20 0 GCADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000897463094 1197338521 /nfs/dbraw/zinc/33/85/21/1197338521.db2.gz BGYJSYWBTYWRCD-UHFFFAOYSA-N 2 1 393.576 0.607 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000105070213 1197372229 /nfs/dbraw/zinc/37/22/29/1197372229.db2.gz CEFGDVGKINGXKY-KDURUIRLSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000105070213 1197372233 /nfs/dbraw/zinc/37/22/33/1197372233.db2.gz CEFGDVGKINGXKY-KDURUIRLSA-N 2 1 381.565 0.909 20 0 GCADMP NC(=O)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000130689480 1197372721 /nfs/dbraw/zinc/37/27/21/1197372721.db2.gz NWQXUBIGXNCMAF-IAGOWNOFSA-N 2 1 380.533 0.771 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nc(C(N)=O)cs1 ZINC000666719721 1197390257 /nfs/dbraw/zinc/39/02/57/1197390257.db2.gz ONNGMUFAYRPFKH-ZDUSSCGKSA-N 2 1 382.534 0.800 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCN(C)CC2)CC1=O ZINC000105318863 1197391869 /nfs/dbraw/zinc/39/18/69/1197391869.db2.gz GSRIJXPTUIEFLP-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000105318863 1197391872 /nfs/dbraw/zinc/39/18/72/1197391872.db2.gz GSRIJXPTUIEFLP-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000105318863 1197391876 /nfs/dbraw/zinc/39/18/76/1197391876.db2.gz GSRIJXPTUIEFLP-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897485938 1197395879 /nfs/dbraw/zinc/39/58/79/1197395879.db2.gz LUGZXGFKRHEQLR-MRXNPFEDSA-N 2 1 377.489 0.203 20 0 GCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614864678 1197401290 /nfs/dbraw/zinc/40/12/90/1197401290.db2.gz GWPYHAVPVZMLRL-UHFFFAOYSA-N 2 1 383.452 0.878 20 0 GCADMP Cc1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614864678 1197401292 /nfs/dbraw/zinc/40/12/92/1197401292.db2.gz GWPYHAVPVZMLRL-UHFFFAOYSA-N 2 1 383.452 0.878 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000897493899 1197402349 /nfs/dbraw/zinc/40/23/49/1197402349.db2.gz ILWANQNIEILGSL-IBGZPJMESA-N 2 1 395.592 0.711 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)[NH+]1CCN(C)CC1 ZINC000419122793 1197410825 /nfs/dbraw/zinc/41/08/25/1197410825.db2.gz FZTLGTROGJRMKK-IRXDYDNUSA-N 2 1 381.565 0.269 20 0 GCADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000532950660 1197422900 /nfs/dbraw/zinc/42/29/00/1197422900.db2.gz YUZRDMWGCPXEBA-CYBMUJFWSA-N 2 1 379.505 0.290 20 0 GCADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000532950660 1197422901 /nfs/dbraw/zinc/42/29/01/1197422901.db2.gz YUZRDMWGCPXEBA-CYBMUJFWSA-N 2 1 379.505 0.290 20 0 GCADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246163161 1197451233 /nfs/dbraw/zinc/45/12/33/1197451233.db2.gz ASXNIEAADGZREN-IXDOHACOSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246163161 1197451235 /nfs/dbraw/zinc/45/12/35/1197451235.db2.gz ASXNIEAADGZREN-IXDOHACOSA-N 2 1 394.560 0.933 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(=O)N3CCOCC3)CC2)CC1 ZINC000066568468 1197467615 /nfs/dbraw/zinc/46/76/15/1197467615.db2.gz RIIDVWGYQOVMOO-UHFFFAOYSA-N 2 1 380.533 0.502 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000475978319 1197470458 /nfs/dbraw/zinc/47/04/58/1197470458.db2.gz SHEPOTAHMKNGEV-UHFFFAOYSA-N 2 1 383.537 0.339 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000246449135 1197470559 /nfs/dbraw/zinc/47/05/59/1197470559.db2.gz LRHCSBRNNZHAFA-GUDVDZBRSA-N 2 1 392.544 0.500 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000247498349 1197476076 /nfs/dbraw/zinc/47/60/76/1197476076.db2.gz NACZDQQQWJLHKR-ROUUACIJSA-N 2 1 380.533 0.500 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000247498349 1197476079 /nfs/dbraw/zinc/47/60/79/1197476079.db2.gz NACZDQQQWJLHKR-ROUUACIJSA-N 2 1 380.533 0.500 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431507 1197481886 /nfs/dbraw/zinc/48/18/86/1197481886.db2.gz ZESJLHCHGZFFLS-KZNAEPCWSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431507 1197481888 /nfs/dbraw/zinc/48/18/88/1197481888.db2.gz ZESJLHCHGZFFLS-KZNAEPCWSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431507 1197481889 /nfs/dbraw/zinc/48/18/89/1197481889.db2.gz ZESJLHCHGZFFLS-KZNAEPCWSA-N 2 1 394.560 0.623 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000249412039 1197482160 /nfs/dbraw/zinc/48/21/60/1197482160.db2.gz VKOXYXSVEOOARJ-FGTMMUONSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000249412039 1197482162 /nfs/dbraw/zinc/48/21/62/1197482162.db2.gz VKOXYXSVEOOARJ-FGTMMUONSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000249412039 1197482164 /nfs/dbraw/zinc/48/21/64/1197482164.db2.gz VKOXYXSVEOOARJ-FGTMMUONSA-N 2 1 394.560 0.623 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000249296694 1197482517 /nfs/dbraw/zinc/48/25/17/1197482517.db2.gz MPAFHPKTAPXSLA-GBESFXJTSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000249296694 1197482521 /nfs/dbraw/zinc/48/25/21/1197482521.db2.gz MPAFHPKTAPXSLA-GBESFXJTSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000249296694 1197482526 /nfs/dbraw/zinc/48/25/26/1197482526.db2.gz MPAFHPKTAPXSLA-GBESFXJTSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261758279 1197513696 /nfs/dbraw/zinc/51/36/96/1197513696.db2.gz FPUCLEMEQGWPKY-QLFBSQMISA-N 2 1 381.521 0.579 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000261773602 1197513902 /nfs/dbraw/zinc/51/39/02/1197513902.db2.gz ZJEMBRGYLHPLHP-MRXNPFEDSA-N 2 1 380.514 0.333 20 0 GCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767928 1197514039 /nfs/dbraw/zinc/51/40/39/1197514039.db2.gz GJFKVCWXCMSTNQ-KSZLIROESA-N 2 1 379.549 0.119 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261786967 1197514494 /nfs/dbraw/zinc/51/44/94/1197514494.db2.gz HVDWRQGYGPANFD-YESZJQIVSA-N 2 1 390.532 0.944 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261786967 1197514498 /nfs/dbraw/zinc/51/44/98/1197514498.db2.gz HVDWRQGYGPANFD-YESZJQIVSA-N 2 1 390.532 0.944 20 0 GCADMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261787461 1197514543 /nfs/dbraw/zinc/51/45/43/1197514543.db2.gz HYTLMQZWKMEWNN-IEBWSBKVSA-N 2 1 388.512 0.892 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892596 1197517793 /nfs/dbraw/zinc/51/77/93/1197517793.db2.gz QUDVVVSZCRXICZ-IEBWSBKVSA-N 2 1 388.512 0.762 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892596 1197517797 /nfs/dbraw/zinc/51/77/97/1197517797.db2.gz QUDVVVSZCRXICZ-IEBWSBKVSA-N 2 1 388.512 0.762 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892604 1197518186 /nfs/dbraw/zinc/51/81/86/1197518186.db2.gz QUDVVVSZCRXICZ-PKOBYXMFSA-N 2 1 388.512 0.762 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892604 1197518188 /nfs/dbraw/zinc/51/81/88/1197518188.db2.gz QUDVVVSZCRXICZ-PKOBYXMFSA-N 2 1 388.512 0.762 20 0 GCADMP O=C(CC[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1)N1CC[NH2+]CC1 ZINC000262000045 1197522144 /nfs/dbraw/zinc/52/21/44/1197522144.db2.gz DKGUUYQIPQMIJR-UHFFFAOYSA-N 2 1 390.513 0.738 20 0 GCADMP CO[C@@H](C)c1noc(CN2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000262063285 1197524181 /nfs/dbraw/zinc/52/41/81/1197524181.db2.gz JFVMCCCZNCWOFS-HNNXBMFYSA-N 2 1 380.493 0.107 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c2)C1 ZINC000262794825 1197537522 /nfs/dbraw/zinc/53/75/22/1197537522.db2.gz PANKVCYJLYHXCG-MRXNPFEDSA-N 2 1 396.495 0.683 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823047 1197542837 /nfs/dbraw/zinc/54/28/37/1197542837.db2.gz MRAJXJNOMNTLOS-ROUUACIJSA-N 2 1 378.517 0.489 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000533817470 1197569280 /nfs/dbraw/zinc/56/92/80/1197569280.db2.gz UKSOQVKAUDIATE-DACLVMHWSA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000533817470 1197569282 /nfs/dbraw/zinc/56/92/82/1197569282.db2.gz UKSOQVKAUDIATE-DACLVMHWSA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000533817470 1197569289 /nfs/dbraw/zinc/56/92/89/1197569289.db2.gz UKSOQVKAUDIATE-DACLVMHWSA-N 2 1 394.585 0.917 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC000672007061 1199000264 /nfs/dbraw/zinc/00/02/64/1199000264.db2.gz AOIWGEBVZFDTQS-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC000672007061 1199000272 /nfs/dbraw/zinc/00/02/72/1199000272.db2.gz AOIWGEBVZFDTQS-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000155978100 1199026936 /nfs/dbraw/zinc/02/69/36/1199026936.db2.gz BGGLJPLRHVHOCZ-YJBOKZPZSA-N 2 1 388.516 0.859 20 0 GCADMP O=C(CSCC(=O)N[C@H]1CC[NH+](CC2CC2)C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108307185 1199043975 /nfs/dbraw/zinc/04/39/75/1199043975.db2.gz NPCLYKPANQSGLT-HDICACEKSA-N 2 1 394.585 0.921 20 0 GCADMP O=C(CSCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108307185 1199043978 /nfs/dbraw/zinc/04/39/78/1199043978.db2.gz NPCLYKPANQSGLT-HDICACEKSA-N 2 1 394.585 0.921 20 0 GCADMP O=C(CSCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108307185 1199043983 /nfs/dbraw/zinc/04/39/83/1199043983.db2.gz NPCLYKPANQSGLT-HDICACEKSA-N 2 1 394.585 0.921 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC(C)C ZINC000465817433 1199074084 /nfs/dbraw/zinc/07/40/84/1199074084.db2.gz SQHPNSHIXIGMTG-INIZCTEOSA-N 2 1 391.582 0.372 20 0 GCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098388 1199089414 /nfs/dbraw/zinc/08/94/14/1199089414.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098388 1199089428 /nfs/dbraw/zinc/08/94/28/1199089428.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098388 1199089431 /nfs/dbraw/zinc/08/94/31/1199089431.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672098388 1199089435 /nfs/dbraw/zinc/08/94/35/1199089435.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672098388 1199089439 /nfs/dbraw/zinc/08/94/39/1199089439.db2.gz SAAYQESKPLMSLX-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111574 1199109779 /nfs/dbraw/zinc/10/97/79/1199109779.db2.gz BOZADHBBGAZZFB-DLBZAZTESA-N 2 1 395.548 0.034 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000672111197 1199111136 /nfs/dbraw/zinc/11/11/36/1199111136.db2.gz CNAJVCGGTCRVNC-SJORKVTESA-N 2 1 395.548 0.036 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656326732 1199173147 /nfs/dbraw/zinc/17/31/47/1199173147.db2.gz CLLAKDVOTIURTF-OKYOBFRVSA-N 2 1 392.544 0.614 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672311918 1199203314 /nfs/dbraw/zinc/20/33/14/1199203314.db2.gz VQLIDFVXQJWAQE-SFHVURJKSA-N 2 1 380.533 0.593 20 0 GCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313119 1199206075 /nfs/dbraw/zinc/20/60/75/1199206075.db2.gz LCKIHTDUKKLGIF-MSOLQXFVSA-N 2 1 392.544 0.690 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952926 1199218957 /nfs/dbraw/zinc/21/89/57/1199218957.db2.gz SGFWBGSUMHFOJT-MSOLQXFVSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952926 1199218961 /nfs/dbraw/zinc/21/89/61/1199218961.db2.gz SGFWBGSUMHFOJT-MSOLQXFVSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952926 1199218965 /nfs/dbraw/zinc/21/89/65/1199218965.db2.gz SGFWBGSUMHFOJT-MSOLQXFVSA-N 2 1 396.580 0.147 20 0 GCADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000672527505 1199258922 /nfs/dbraw/zinc/25/89/22/1199258922.db2.gz XBQKTHOAFVCOFO-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000672527505 1199258926 /nfs/dbraw/zinc/25/89/26/1199258926.db2.gz XBQKTHOAFVCOFO-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000672527505 1199258931 /nfs/dbraw/zinc/25/89/31/1199258931.db2.gz XBQKTHOAFVCOFO-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000672527505 1199258935 /nfs/dbraw/zinc/25/89/35/1199258935.db2.gz XBQKTHOAFVCOFO-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596847 1199276970 /nfs/dbraw/zinc/27/69/70/1199276970.db2.gz SDNWUBWKSDRCGQ-MOPGFXCFSA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672596847 1199276973 /nfs/dbraw/zinc/27/69/73/1199276973.db2.gz SDNWUBWKSDRCGQ-MOPGFXCFSA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672596847 1199276978 /nfs/dbraw/zinc/27/69/78/1199276978.db2.gz SDNWUBWKSDRCGQ-MOPGFXCFSA-N 2 1 387.528 0.081 20 0 GCADMP CC(C)n1cc([C@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000672608327 1199281005 /nfs/dbraw/zinc/28/10/05/1199281005.db2.gz MBEBWICDWFUJLI-RDJZCZTQSA-N 2 1 390.532 0.926 20 0 GCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638551 1199288820 /nfs/dbraw/zinc/28/88/20/1199288820.db2.gz UEGCAJHBSXXIIK-KRWDZBQOSA-N 2 1 381.565 0.461 20 0 GCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638551 1199288823 /nfs/dbraw/zinc/28/88/23/1199288823.db2.gz UEGCAJHBSXXIIK-KRWDZBQOSA-N 2 1 381.565 0.461 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639543 1199291057 /nfs/dbraw/zinc/29/10/57/1199291057.db2.gz QDZJWBRFJIVVFR-ROUUACIJSA-N 2 1 391.560 0.215 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639543 1199291062 /nfs/dbraw/zinc/29/10/62/1199291062.db2.gz QDZJWBRFJIVVFR-ROUUACIJSA-N 2 1 391.560 0.215 20 0 GCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638728 1199292953 /nfs/dbraw/zinc/29/29/53/1199292953.db2.gz IBIXHIIQXQALOQ-QGZVFWFLSA-N 2 1 381.565 0.317 20 0 GCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638728 1199292956 /nfs/dbraw/zinc/29/29/56/1199292956.db2.gz IBIXHIIQXQALOQ-QGZVFWFLSA-N 2 1 381.565 0.317 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639079 1199293992 /nfs/dbraw/zinc/29/39/92/1199293992.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639079 1199293994 /nfs/dbraw/zinc/29/39/94/1199293994.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639079 1199293998 /nfs/dbraw/zinc/29/39/98/1199293998.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672639079 1199294000 /nfs/dbraw/zinc/29/40/00/1199294000.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672639079 1199294003 /nfs/dbraw/zinc/29/40/03/1199294003.db2.gz YOMNUBZJBRPQFQ-SJORKVTESA-N 2 1 379.549 0.119 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640966 1199298274 /nfs/dbraw/zinc/29/82/74/1199298274.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640966 1199298278 /nfs/dbraw/zinc/29/82/78/1199298278.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640966 1199298282 /nfs/dbraw/zinc/29/82/82/1199298282.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640966 1199298284 /nfs/dbraw/zinc/29/82/84/1199298284.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640966 1199298287 /nfs/dbraw/zinc/29/82/87/1199298287.db2.gz HSVQAMYJFVJVAC-QZTJIDSGSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642506 1199300895 /nfs/dbraw/zinc/30/08/95/1199300895.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642506 1199300897 /nfs/dbraw/zinc/30/08/97/1199300897.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642506 1199300904 /nfs/dbraw/zinc/30/09/04/1199300904.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672642506 1199300910 /nfs/dbraw/zinc/30/09/10/1199300910.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672642506 1199300916 /nfs/dbraw/zinc/30/09/16/1199300916.db2.gz MSCRGSLXOQOOLT-SOLBZPMBSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642910 1199305164 /nfs/dbraw/zinc/30/51/64/1199305164.db2.gz JQTXBLXWQKMAIE-ZWKOTPCHSA-N 2 1 393.576 0.652 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642910 1199305169 /nfs/dbraw/zinc/30/51/69/1199305169.db2.gz JQTXBLXWQKMAIE-ZWKOTPCHSA-N 2 1 393.576 0.652 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000672648103 1199309249 /nfs/dbraw/zinc/30/92/49/1199309249.db2.gz XRGTUCWMSHWSCV-ZJPYXAASSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000672648103 1199309255 /nfs/dbraw/zinc/30/92/55/1199309255.db2.gz XRGTUCWMSHWSCV-ZJPYXAASSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000672648103 1199309260 /nfs/dbraw/zinc/30/92/60/1199309260.db2.gz XRGTUCWMSHWSCV-ZJPYXAASSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000672648103 1199309264 /nfs/dbraw/zinc/30/92/64/1199309264.db2.gz XRGTUCWMSHWSCV-ZJPYXAASSA-N 2 1 398.548 0.075 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000672695655 1199315739 /nfs/dbraw/zinc/31/57/39/1199315739.db2.gz GUMKCRRENTYLFX-QGZVFWFLSA-N 2 1 381.565 0.461 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000672695655 1199315747 /nfs/dbraw/zinc/31/57/47/1199315747.db2.gz GUMKCRRENTYLFX-QGZVFWFLSA-N 2 1 381.565 0.461 20 0 GCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000672722645 1199321597 /nfs/dbraw/zinc/32/15/97/1199321597.db2.gz IUTLWQXFLCCEDY-MSOLQXFVSA-N 2 1 395.592 0.707 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673096080 1199417725 /nfs/dbraw/zinc/41/77/25/1199417725.db2.gz XCQKSKFPMPVHFW-QAPCUYQASA-N 2 1 388.512 0.037 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CN(C)CCO1 ZINC000673174329 1199462491 /nfs/dbraw/zinc/46/24/91/1199462491.db2.gz FHRXMQNPAUFOBB-FPAYPSAMSA-N 2 1 388.512 0.458 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224137 1199487752 /nfs/dbraw/zinc/48/77/52/1199487752.db2.gz KKTCWSOXNSGCMP-WMZOPIPTSA-N 2 1 395.592 0.706 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224137 1199487756 /nfs/dbraw/zinc/48/77/56/1199487756.db2.gz KKTCWSOXNSGCMP-WMZOPIPTSA-N 2 1 395.592 0.706 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138132 1199490153 /nfs/dbraw/zinc/49/01/53/1199490153.db2.gz HEOYJEQRYPYVPJ-OALUTQOASA-N 2 1 383.581 0.652 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337177 1199548148 /nfs/dbraw/zinc/54/81/48/1199548148.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337177 1199548153 /nfs/dbraw/zinc/54/81/53/1199548153.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337177 1199548162 /nfs/dbraw/zinc/54/81/62/1199548162.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673337177 1199548165 /nfs/dbraw/zinc/54/81/65/1199548165.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673337177 1199548172 /nfs/dbraw/zinc/54/81/72/1199548172.db2.gz QVFYSDYGAXQPQN-SFHVURJKSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000673337203 1199549176 /nfs/dbraw/zinc/54/91/76/1199549176.db2.gz XKPXBZBNQYCYHZ-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000673337203 1199549180 /nfs/dbraw/zinc/54/91/80/1199549180.db2.gz XKPXBZBNQYCYHZ-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000673337203 1199549182 /nfs/dbraw/zinc/54/91/82/1199549182.db2.gz XKPXBZBNQYCYHZ-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000265832969 1199556192 /nfs/dbraw/zinc/55/61/92/1199556192.db2.gz FEVCNAFQXMPHNM-SFHVURJKSA-N 2 1 389.544 0.953 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000673351595 1199566800 /nfs/dbraw/zinc/56/68/00/1199566800.db2.gz KUMLOTCWLUWXFF-GOSISDBHSA-N 2 1 376.501 0.414 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673421632 1199614652 /nfs/dbraw/zinc/61/46/52/1199614652.db2.gz JXTQIOPAZRZIDQ-MKCYZYCBSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673421632 1199614654 /nfs/dbraw/zinc/61/46/54/1199614654.db2.gz JXTQIOPAZRZIDQ-MKCYZYCBSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCCO1 ZINC000673427291 1199632005 /nfs/dbraw/zinc/63/20/05/1199632005.db2.gz ZZOBOZKKPRRHDF-QGZVFWFLSA-N 2 1 398.548 0.173 20 0 GCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000922347857 1199743655 /nfs/dbraw/zinc/74/36/55/1199743655.db2.gz ZRRGCBTWCVJOFC-ZWKOTPCHSA-N 2 1 375.517 0.667 20 0 GCADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000922347857 1199743659 /nfs/dbraw/zinc/74/36/59/1199743659.db2.gz ZRRGCBTWCVJOFC-ZWKOTPCHSA-N 2 1 375.517 0.667 20 0 GCADMP COCCN1CCN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000261385794 1199777952 /nfs/dbraw/zinc/77/79/52/1199777952.db2.gz BPOGVYZEMVLWMS-HXUWFJFHSA-N 2 1 389.544 0.949 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000625464726 1199964737 /nfs/dbraw/zinc/96/47/37/1199964737.db2.gz BNRXOMQGKHPJBS-SFHVURJKSA-N 3 1 381.565 0.461 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000674309668 1200219178 /nfs/dbraw/zinc/21/91/78/1200219178.db2.gz HISJFFVSHCUVGI-IRXDYDNUSA-N 2 1 380.533 0.546 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)N[C@@H](C)C3CC[NH+](C)CC3)C[C@H]2C)CC1 ZINC000674634326 1200289618 /nfs/dbraw/zinc/28/96/18/1200289618.db2.gz VSPDGKQBOFISEJ-JTDSTZFVSA-N 2 1 379.549 0.911 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000670526815 1200404424 /nfs/dbraw/zinc/40/44/24/1200404424.db2.gz PHXMELJWRDUDJU-MSOLQXFVSA-N 2 1 392.544 0.881 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000670526815 1200404429 /nfs/dbraw/zinc/40/44/29/1200404429.db2.gz PHXMELJWRDUDJU-MSOLQXFVSA-N 2 1 392.544 0.881 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000246491696 1200409262 /nfs/dbraw/zinc/40/92/62/1200409262.db2.gz SMNGZJYWSWPSRF-GUDVDZBRSA-N 2 1 394.560 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000246491696 1200409264 /nfs/dbraw/zinc/40/92/64/1200409264.db2.gz SMNGZJYWSWPSRF-GUDVDZBRSA-N 2 1 394.560 0.792 20 0 GCADMP CCCCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004512 1200410740 /nfs/dbraw/zinc/41/07/40/1200410740.db2.gz RPCYODFKELWYCB-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP CCCCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004512 1200410745 /nfs/dbraw/zinc/41/07/45/1200410745.db2.gz RPCYODFKELWYCB-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004512 1200410747 /nfs/dbraw/zinc/41/07/47/1200410747.db2.gz RPCYODFKELWYCB-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP CCCCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004512 1200410751 /nfs/dbraw/zinc/41/07/51/1200410751.db2.gz RPCYODFKELWYCB-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917971 1200467954 /nfs/dbraw/zinc/46/79/54/1200467954.db2.gz KLSOWUCYXVTCHC-RBUKOAKNSA-N 2 1 385.512 0.811 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917971 1200467958 /nfs/dbraw/zinc/46/79/58/1200467958.db2.gz KLSOWUCYXVTCHC-RBUKOAKNSA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675917971 1200467965 /nfs/dbraw/zinc/46/79/65/1200467965.db2.gz KLSOWUCYXVTCHC-RBUKOAKNSA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675917971 1200467972 /nfs/dbraw/zinc/46/79/72/1200467972.db2.gz KLSOWUCYXVTCHC-RBUKOAKNSA-N 2 1 385.512 0.811 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047697 1200480602 /nfs/dbraw/zinc/48/06/02/1200480602.db2.gz UDSDKTCVXOANMZ-YSIASYRMSA-N 3 1 393.576 0.832 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047697 1200480603 /nfs/dbraw/zinc/48/06/03/1200480603.db2.gz UDSDKTCVXOANMZ-YSIASYRMSA-N 3 1 393.576 0.832 20 0 GCADMP C[C@@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676245041 1200514251 /nfs/dbraw/zinc/51/42/51/1200514251.db2.gz ZHCDYLVSOKAWIW-CRAIPNDOSA-N 2 1 391.516 0.496 20 0 GCADMP C[C@@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676245041 1200514258 /nfs/dbraw/zinc/51/42/58/1200514258.db2.gz ZHCDYLVSOKAWIW-CRAIPNDOSA-N 2 1 391.516 0.496 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279761 1200530241 /nfs/dbraw/zinc/53/02/41/1200530241.db2.gz PVJFELKWQVLWLG-QAPCUYQASA-N 2 1 392.500 0.709 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279761 1200530251 /nfs/dbraw/zinc/53/02/51/1200530251.db2.gz PVJFELKWQVLWLG-QAPCUYQASA-N 2 1 392.500 0.709 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000676359221 1200551286 /nfs/dbraw/zinc/55/12/86/1200551286.db2.gz MDYWVFAPOSCFAA-HKUYNNGSSA-N 2 1 381.565 0.906 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000676359221 1200551290 /nfs/dbraw/zinc/55/12/90/1200551290.db2.gz MDYWVFAPOSCFAA-HKUYNNGSSA-N 2 1 381.565 0.906 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)CC2)CCO1 ZINC000507148987 1200610386 /nfs/dbraw/zinc/61/03/86/1200610386.db2.gz YOAVPSFDZJGVSM-OAHLLOKOSA-N 2 1 398.467 0.918 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000369782505 1200613481 /nfs/dbraw/zinc/61/34/81/1200613481.db2.gz NMZZPZWQIJBTSU-IXDOHACOSA-N 2 1 378.521 1.550 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000369782505 1200613486 /nfs/dbraw/zinc/61/34/86/1200613486.db2.gz NMZZPZWQIJBTSU-IXDOHACOSA-N 2 1 378.521 1.550 20 0 GCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000625776765 1200657444 /nfs/dbraw/zinc/65/74/44/1200657444.db2.gz PPLQRYKPHKDSTB-FCGDIQPGSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)C1 ZINC000625776765 1200657448 /nfs/dbraw/zinc/65/74/48/1200657448.db2.gz PPLQRYKPHKDSTB-FCGDIQPGSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)C1 ZINC000625776765 1200657451 /nfs/dbraw/zinc/65/74/51/1200657451.db2.gz PPLQRYKPHKDSTB-FCGDIQPGSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)C1 ZINC000625776765 1200657452 /nfs/dbraw/zinc/65/74/52/1200657452.db2.gz PPLQRYKPHKDSTB-FCGDIQPGSA-N 2 1 394.560 0.885 20 0 GCADMP CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)NCC3([NH+](C)C)CC3)C2)cc(=O)[nH]1 ZINC000922994563 1200699284 /nfs/dbraw/zinc/69/92/84/1200699284.db2.gz VICUWNMHEZRHKE-HNNXBMFYSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)NCC3([NH+](C)C)CC3)C2)cc(=O)[nH]1 ZINC000922994563 1200699289 /nfs/dbraw/zinc/69/92/89/1200699289.db2.gz VICUWNMHEZRHKE-HNNXBMFYSA-N 2 1 391.520 0.558 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000507207600 1200713262 /nfs/dbraw/zinc/71/32/62/1200713262.db2.gz FRVVRTLHWCWQDR-MRXNPFEDSA-N 2 1 386.456 0.679 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000477031727 1200789855 /nfs/dbraw/zinc/78/98/55/1200789855.db2.gz HZGFBYZNKMWUBV-GOSISDBHSA-N 2 1 395.592 0.850 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000426997827 1200846798 /nfs/dbraw/zinc/84/67/98/1200846798.db2.gz MRMDLFWNGCZYRY-HNNXBMFYSA-N 2 1 376.505 0.936 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000426997828 1200848110 /nfs/dbraw/zinc/84/81/10/1200848110.db2.gz MRMDLFWNGCZYRY-OAHLLOKOSA-N 2 1 376.505 0.936 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC000509330650 1200851013 /nfs/dbraw/zinc/85/10/13/1200851013.db2.gz HNRLUIUAOJGFPI-GOSISDBHSA-N 2 1 397.564 0.539 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378177 1200973471 /nfs/dbraw/zinc/97/34/71/1200973471.db2.gz BZTPHHAFISQLMZ-BHIYHBOVSA-N 2 1 392.475 0.786 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378188 1200973835 /nfs/dbraw/zinc/97/38/35/1200973835.db2.gz RQGDFECESPFXPH-JQHSSLGASA-N 2 1 392.475 0.786 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000509387845 1200978534 /nfs/dbraw/zinc/97/85/34/1200978534.db2.gz ODTJARODHUZJTD-SFHVURJKSA-N 2 1 397.564 0.539 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000329286264 1201005265 /nfs/dbraw/zinc/00/52/65/1201005265.db2.gz MAHLCCWIYIUIRB-SJORKVTESA-N 2 1 376.505 1.306 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000329286262 1201005770 /nfs/dbraw/zinc/00/57/70/1201005770.db2.gz MAHLCCWIYIUIRB-IAGOWNOFSA-N 2 1 376.505 1.306 20 0 GCADMP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000497128340 1201194090 /nfs/dbraw/zinc/19/40/90/1201194090.db2.gz ZWVOEZNWWTTWQR-NCYKPQTJSA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000497128340 1201194095 /nfs/dbraw/zinc/19/40/95/1201194095.db2.gz ZWVOEZNWWTTWQR-NCYKPQTJSA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@@H+](C)C[C@H]43)[C@@H]2C1 ZINC000497128340 1201194097 /nfs/dbraw/zinc/19/40/97/1201194097.db2.gz ZWVOEZNWWTTWQR-NCYKPQTJSA-N 2 1 380.577 0.967 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3nnnn3C)C2)CC[N@@H+]1C ZINC001081118590 1201295261 /nfs/dbraw/zinc/29/52/61/1201295261.db2.gz LYQILUZOELJVQS-NRSFXHEJSA-N 2 1 383.500 0.635 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]Cc3nnnn3C)C2)CC[N@H+]1C ZINC001081118590 1201295266 /nfs/dbraw/zinc/29/52/66/1201295266.db2.gz LYQILUZOELJVQS-NRSFXHEJSA-N 2 1 383.500 0.635 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699447 1201301509 /nfs/dbraw/zinc/30/15/09/1201301509.db2.gz WUMLGUPYLSWMQS-YLFCFFPRSA-N 2 1 379.505 0.856 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCc3nc(C)no3)C[C@H]2OC)CC[N@H+]1C ZINC001081699447 1201301516 /nfs/dbraw/zinc/30/15/16/1201301516.db2.gz WUMLGUPYLSWMQS-YLFCFFPRSA-N 2 1 379.505 0.856 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCc3nc(C)no3)C[C@H]2OC)CC[NH+]1C ZINC001081699447 1201301518 /nfs/dbraw/zinc/30/15/18/1201301518.db2.gz WUMLGUPYLSWMQS-YLFCFFPRSA-N 2 1 379.505 0.856 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCc3nc(C)no3)C[C@H]2OC)CC[NH+]1C ZINC001081699447 1201301527 /nfs/dbraw/zinc/30/15/27/1201301527.db2.gz WUMLGUPYLSWMQS-YLFCFFPRSA-N 2 1 379.505 0.856 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699349 1201302400 /nfs/dbraw/zinc/30/24/00/1201302400.db2.gz QYELJFVGFOABBY-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(C(N)=O)c3)C[C@H]2OC)CC[N@H+]1C ZINC001081699349 1201302410 /nfs/dbraw/zinc/30/24/10/1201302410.db2.gz QYELJFVGFOABBY-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(C(N)=O)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699349 1201302418 /nfs/dbraw/zinc/30/24/18/1201302418.db2.gz QYELJFVGFOABBY-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(C(N)=O)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699349 1201302427 /nfs/dbraw/zinc/30/24/27/1201302427.db2.gz QYELJFVGFOABBY-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@@H+]1C ZINC001082522718 1201337553 /nfs/dbraw/zinc/33/75/53/1201337553.db2.gz ZCYDUOHGANVCPP-QKPAOTATSA-N 2 1 376.505 0.475 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001082522718 1201337556 /nfs/dbraw/zinc/33/75/56/1201337556.db2.gz ZCYDUOHGANVCPP-QKPAOTATSA-N 2 1 376.505 0.475 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082590128 1201338916 /nfs/dbraw/zinc/33/89/16/1201338916.db2.gz DWMSWTLQQKSBNA-BRSBDYLESA-N 2 1 380.533 0.401 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC001082590128 1201338925 /nfs/dbraw/zinc/33/89/25/1201338925.db2.gz DWMSWTLQQKSBNA-BRSBDYLESA-N 2 1 380.533 0.401 20 0 GCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590397 1201340743 /nfs/dbraw/zinc/34/07/43/1201340743.db2.gz UPPTTYHNTCHDHC-DTZQCDIJSA-N 2 1 382.530 0.374 20 0 GCADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001082590397 1201340749 /nfs/dbraw/zinc/34/07/49/1201340749.db2.gz UPPTTYHNTCHDHC-DTZQCDIJSA-N 2 1 382.530 0.374 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@@H]32)CC[N@@H+]1C ZINC001083085913 1201383402 /nfs/dbraw/zinc/38/34/02/1201383402.db2.gz TWGPLDYNCIOIDD-DQEVTTJGSA-N 2 1 386.496 0.537 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc(C(N)=O)cc4)C[C@@H]32)CC[N@H+]1C ZINC001083085913 1201383408 /nfs/dbraw/zinc/38/34/08/1201383408.db2.gz TWGPLDYNCIOIDD-DQEVTTJGSA-N 2 1 386.496 0.537 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc(C(N)=O)cc4)C[C@@H]32)CC[NH+]1C ZINC001083085913 1201383411 /nfs/dbraw/zinc/38/34/11/1201383411.db2.gz TWGPLDYNCIOIDD-DQEVTTJGSA-N 2 1 386.496 0.537 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc(C(N)=O)cc4)C[C@@H]32)CC[NH+]1C ZINC001083085913 1201383417 /nfs/dbraw/zinc/38/34/17/1201383417.db2.gz TWGPLDYNCIOIDD-DQEVTTJGSA-N 2 1 386.496 0.537 20 0 GCADMP Cc1nc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085962 1201384106 /nfs/dbraw/zinc/38/41/06/1201384106.db2.gz WCFZNBNATZTLMY-NKGKWGDASA-N 2 1 376.505 0.147 20 0 GCADMP Cc1nc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085962 1201384109 /nfs/dbraw/zinc/38/41/09/1201384109.db2.gz WCFZNBNATZTLMY-NKGKWGDASA-N 2 1 376.505 0.147 20 0 GCADMP Cc1nc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085962 1201384114 /nfs/dbraw/zinc/38/41/14/1201384114.db2.gz WCFZNBNATZTLMY-NKGKWGDASA-N 2 1 376.505 0.147 20 0 GCADMP Cc1nc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085962 1201384119 /nfs/dbraw/zinc/38/41/19/1201384119.db2.gz WCFZNBNATZTLMY-NKGKWGDASA-N 2 1 376.505 0.147 20 0 GCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)O1 ZINC001084447543 1201412274 /nfs/dbraw/zinc/41/22/74/1201412274.db2.gz SAWYEADXGYKNRR-BRSBDYLESA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)O1 ZINC001084447543 1201412276 /nfs/dbraw/zinc/41/22/76/1201412276.db2.gz SAWYEADXGYKNRR-BRSBDYLESA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CC[NH+](CCCN4CCCC4=O)C[C@H]32)O1 ZINC001084447543 1201412279 /nfs/dbraw/zinc/41/22/79/1201412279.db2.gz SAWYEADXGYKNRR-BRSBDYLESA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCCN4CCCC4=O)C[C@H]32)O1 ZINC001084447543 1201412285 /nfs/dbraw/zinc/41/22/85/1201412285.db2.gz SAWYEADXGYKNRR-BRSBDYLESA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCOCC4)[C@H]3C2)CC[N@H+]1C ZINC001084944139 1201502371 /nfs/dbraw/zinc/50/23/71/1201502371.db2.gz VLCJWARPXFRKKI-TVFCKZIOSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCOCC4)[C@H]3C2)CC[NH+]1C ZINC001084944139 1201502373 /nfs/dbraw/zinc/50/23/73/1201502373.db2.gz VLCJWARPXFRKKI-TVFCKZIOSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCOCC4)[C@H]3C2)CC[NH+]1C ZINC001084944139 1201502377 /nfs/dbraw/zinc/50/23/77/1201502377.db2.gz VLCJWARPXFRKKI-TVFCKZIOSA-N 2 1 378.517 0.108 20 0 GCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]3CC[N@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001084943173 1201502910 /nfs/dbraw/zinc/50/29/10/1201502910.db2.gz LGFMIHJCIUNWEZ-NWGLXNPWSA-N 2 1 378.517 0.141 20 0 GCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]3CC[N@@H+](CC(N)=O)[C@H]3C2)CC1 ZINC001084943173 1201502914 /nfs/dbraw/zinc/50/29/14/1201502914.db2.gz LGFMIHJCIUNWEZ-NWGLXNPWSA-N 2 1 378.517 0.141 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCNC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084944960 1201503038 /nfs/dbraw/zinc/50/30/38/1201503038.db2.gz ZCBOKDFZVWQLOM-XDNAFOTISA-N 2 1 377.533 0.665 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4CCNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944960 1201503041 /nfs/dbraw/zinc/50/30/41/1201503041.db2.gz ZCBOKDFZVWQLOM-XDNAFOTISA-N 2 1 377.533 0.665 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944960 1201503044 /nfs/dbraw/zinc/50/30/44/1201503044.db2.gz ZCBOKDFZVWQLOM-XDNAFOTISA-N 2 1 377.533 0.665 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCc4ccnn4C)[C@H]3C2)O1 ZINC001084970008 1201513595 /nfs/dbraw/zinc/51/35/95/1201513595.db2.gz JJKFLNVAVQSTLK-ZAWLATJESA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCc4ccnn4C)[C@H]3C2)O1 ZINC001084970008 1201513601 /nfs/dbraw/zinc/51/36/01/1201513601.db2.gz JJKFLNVAVQSTLK-ZAWLATJESA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCc4ccnn4C)[C@H]3C2)O1 ZINC001084970008 1201513607 /nfs/dbraw/zinc/51/36/07/1201513607.db2.gz JJKFLNVAVQSTLK-ZAWLATJESA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCc4ccnn4C)[C@H]3C2)O1 ZINC001084970008 1201513612 /nfs/dbraw/zinc/51/36/12/1201513612.db2.gz JJKFLNVAVQSTLK-ZAWLATJESA-N 2 1 375.517 0.605 20 0 GCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969926 1201513810 /nfs/dbraw/zinc/51/38/10/1201513810.db2.gz FLCWWOCSKGQNOT-DQEVTTJGSA-N 2 1 390.532 0.537 20 0 GCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969926 1201513813 /nfs/dbraw/zinc/51/38/13/1201513813.db2.gz FLCWWOCSKGQNOT-DQEVTTJGSA-N 2 1 390.532 0.537 20 0 GCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969926 1201513816 /nfs/dbraw/zinc/51/38/16/1201513816.db2.gz FLCWWOCSKGQNOT-DQEVTTJGSA-N 2 1 390.532 0.537 20 0 GCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CCN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]32)n1 ZINC001084969926 1201513820 /nfs/dbraw/zinc/51/38/20/1201513820.db2.gz FLCWWOCSKGQNOT-DQEVTTJGSA-N 2 1 390.532 0.537 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000733975394 1201635330 /nfs/dbraw/zinc/63/53/30/1201635330.db2.gz UGMKELWZVLMCHO-UHFFFAOYSA-N 2 1 380.533 0.549 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)SCC[C@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273313131 1201636904 /nfs/dbraw/zinc/63/69/04/1201636904.db2.gz LSQINLKCBOHZLW-HOTGVXAUSA-N 2 1 380.558 0.625 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)c(=O)c2)O1 ZINC001085242624 1201647848 /nfs/dbraw/zinc/64/78/48/1201647848.db2.gz ZWQCDQVOWUFBKK-VDHUWJSZSA-N 2 1 376.501 0.621 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2ccn(C)c(=O)c2)O1 ZINC001085242624 1201647851 /nfs/dbraw/zinc/64/78/51/1201647851.db2.gz ZWQCDQVOWUFBKK-VDHUWJSZSA-N 2 1 376.501 0.621 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nc(N(C)C)no2)O1 ZINC001085242428 1201647983 /nfs/dbraw/zinc/64/79/83/1201647983.db2.gz QVUAWMWVNMNVAV-KBUPBQIOSA-N 2 1 380.493 0.372 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734267646 1201648844 /nfs/dbraw/zinc/64/88/44/1201648844.db2.gz NEBSAWSRLLHNQP-IBGZPJMESA-N 2 1 381.565 0.955 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734267888 1201648976 /nfs/dbraw/zinc/64/89/76/1201648976.db2.gz CYMAJYFOALKUHX-QGZVFWFLSA-N 2 1 381.521 0.139 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000735597334 1201696337 /nfs/dbraw/zinc/69/63/37/1201696337.db2.gz WIGIEIRIKPIJTA-HOTGVXAUSA-N 2 1 384.440 0.494 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000735597334 1201696343 /nfs/dbraw/zinc/69/63/43/1201696343.db2.gz WIGIEIRIKPIJTA-HOTGVXAUSA-N 2 1 384.440 0.494 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC([NH+]2CCC2)CC1 ZINC000827911364 1201709918 /nfs/dbraw/zinc/70/99/18/1201709918.db2.gz ZCBXSUPUHRKYEB-GOSISDBHSA-N 2 1 378.517 0.396 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415838 1201778837 /nfs/dbraw/zinc/77/88/37/1201778837.db2.gz XSLGKMJNYHBLKO-ZVDOUQERSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415838 1201778839 /nfs/dbraw/zinc/77/88/39/1201778839.db2.gz XSLGKMJNYHBLKO-ZVDOUQERSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415838 1201778842 /nfs/dbraw/zinc/77/88/42/1201778842.db2.gz XSLGKMJNYHBLKO-ZVDOUQERSA-N 2 1 388.512 0.786 20 0 GCADMP CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](C)C1 ZINC000741623514 1201782167 /nfs/dbraw/zinc/78/21/67/1201782167.db2.gz CSVBWCNQQBPDQW-HDICACEKSA-N 2 1 398.548 0.125 20 0 GCADMP CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000741623514 1201782170 /nfs/dbraw/zinc/78/21/70/1201782170.db2.gz CSVBWCNQQBPDQW-HDICACEKSA-N 2 1 398.548 0.125 20 0 GCADMP CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@@H+](C)C1 ZINC000741623514 1201782172 /nfs/dbraw/zinc/78/21/72/1201782172.db2.gz CSVBWCNQQBPDQW-HDICACEKSA-N 2 1 398.548 0.125 20 0 GCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000743978690 1201831771 /nfs/dbraw/zinc/83/17/71/1201831771.db2.gz NBWBJXNYWYVYHJ-QGZVFWFLSA-N 2 1 387.528 0.973 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1cc(CC[NH3+])cn1 ZINC001168947140 1201928938 /nfs/dbraw/zinc/92/89/38/1201928938.db2.gz SLWOTNTYUQVYMI-HNNXBMFYSA-N 2 1 375.473 0.874 20 0 GCADMP CC(C)(C)C(=O)Nc1ccc(C[N@H+]2CC[C@@H](CO)C2)nc1-n1nncc1C[NH3+] ZINC001169309057 1201942052 /nfs/dbraw/zinc/94/20/52/1201942052.db2.gz XRDPAAVKNQUTCP-CYBMUJFWSA-N 2 1 387.488 0.920 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945599 1201959941 /nfs/dbraw/zinc/95/99/41/1201959941.db2.gz KWXUEAVFYDVIKW-KZNAEPCWSA-N 2 1 381.517 0.783 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945599 1201959943 /nfs/dbraw/zinc/95/99/43/1201959943.db2.gz KWXUEAVFYDVIKW-KZNAEPCWSA-N 2 1 381.517 0.783 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945599 1201959946 /nfs/dbraw/zinc/95/99/46/1201959946.db2.gz KWXUEAVFYDVIKW-KZNAEPCWSA-N 2 1 381.517 0.783 20 0 GCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001109113078 1201996499 /nfs/dbraw/zinc/99/64/99/1201996499.db2.gz BBBHBFLBKRMUMJ-VSZNYVQBSA-N 2 1 376.505 0.501 20 0 GCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001109113078 1201996500 /nfs/dbraw/zinc/99/65/00/1201996500.db2.gz BBBHBFLBKRMUMJ-VSZNYVQBSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)C1 ZINC001109113078 1201996503 /nfs/dbraw/zinc/99/65/03/1201996503.db2.gz BBBHBFLBKRMUMJ-VSZNYVQBSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCn2cncn2)C1 ZINC001109113078 1201996504 /nfs/dbraw/zinc/99/65/04/1201996504.db2.gz BBBHBFLBKRMUMJ-VSZNYVQBSA-N 2 1 376.505 0.501 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655323 1202099266 /nfs/dbraw/zinc/09/92/66/1202099266.db2.gz PRZBVJQKHZFQHZ-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655323 1202099267 /nfs/dbraw/zinc/09/92/67/1202099267.db2.gz PRZBVJQKHZFQHZ-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001109673924 1202103867 /nfs/dbraw/zinc/10/38/67/1202103867.db2.gz UBONNWGIFVEWLM-VSZNYVQBSA-N 2 1 378.517 0.297 20 0 GCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOC[C@@H]1C1CC1 ZINC001109673924 1202103869 /nfs/dbraw/zinc/10/38/69/1202103869.db2.gz UBONNWGIFVEWLM-VSZNYVQBSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770580935 1202104437 /nfs/dbraw/zinc/10/44/37/1202104437.db2.gz DKUDDLJKBVJLFQ-IEBWSBKVSA-N 2 1 381.565 0.955 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCO[C@H]1CCOC1 ZINC001109847724 1202135013 /nfs/dbraw/zinc/13/50/13/1202135013.db2.gz DQLXDFPGMCBYHX-XWSJACJDSA-N 2 1 381.517 0.626 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCO[C@H]1CCOC1 ZINC001109847724 1202135014 /nfs/dbraw/zinc/13/50/14/1202135014.db2.gz DQLXDFPGMCBYHX-XWSJACJDSA-N 2 1 381.517 0.626 20 0 GCADMP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CC(F)(F)F ZINC001109847720 1202135166 /nfs/dbraw/zinc/13/51/66/1202135166.db2.gz DLLTVCZIPBTQBB-KBXIAJHMSA-N 2 1 379.423 0.744 20 0 GCADMP CCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900310 1202146132 /nfs/dbraw/zinc/14/61/32/1202146132.db2.gz JOJYIHDHEZEWJS-LMSBXDPUSA-N 2 1 380.533 0.733 20 0 GCADMP CCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900310 1202146133 /nfs/dbraw/zinc/14/61/33/1202146133.db2.gz JOJYIHDHEZEWJS-LMSBXDPUSA-N 2 1 380.533 0.733 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001109979996 1202165968 /nfs/dbraw/zinc/16/59/68/1202165968.db2.gz IHTBHJXOUPCDJB-OWSLCNJRSA-N 2 1 378.517 0.440 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C2CCC2)C1=O ZINC001109979996 1202165969 /nfs/dbraw/zinc/16/59/69/1202165969.db2.gz IHTBHJXOUPCDJB-OWSLCNJRSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)CCO1 ZINC001110002360 1202173135 /nfs/dbraw/zinc/17/31/35/1202173135.db2.gz DFNSSOQXCVKFEV-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)CCO1 ZINC001110002360 1202173137 /nfs/dbraw/zinc/17/31/37/1202173137.db2.gz DFNSSOQXCVKFEV-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001110007334 1202174019 /nfs/dbraw/zinc/17/40/19/1202174019.db2.gz RIPQYOXHLPIRQK-BDXSIMOUSA-N 2 1 380.533 0.423 20 0 GCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787623363 1205395447 /nfs/dbraw/zinc/39/54/47/1205395447.db2.gz SKEHGGKMNBWBBI-RBUKOAKNSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787623363 1205395449 /nfs/dbraw/zinc/39/54/49/1205395449.db2.gz SKEHGGKMNBWBBI-RBUKOAKNSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787623363 1205395451 /nfs/dbraw/zinc/39/54/51/1205395451.db2.gz SKEHGGKMNBWBBI-RBUKOAKNSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787623363 1205395454 /nfs/dbraw/zinc/39/54/54/1205395454.db2.gz SKEHGGKMNBWBBI-RBUKOAKNSA-N 2 1 386.496 0.140 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000787633473 1205396231 /nfs/dbraw/zinc/39/62/31/1205396231.db2.gz BHJUUMNFEJEVSU-FGTMMUONSA-N 2 1 392.475 0.524 20 0 GCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688601 1205398987 /nfs/dbraw/zinc/39/89/87/1205398987.db2.gz KAWQQFXJSAHBPC-MSOLQXFVSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688601 1205398989 /nfs/dbraw/zinc/39/89/89/1205398989.db2.gz KAWQQFXJSAHBPC-MSOLQXFVSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688601 1205398993 /nfs/dbraw/zinc/39/89/93/1205398993.db2.gz KAWQQFXJSAHBPC-MSOLQXFVSA-N 2 1 380.533 0.737 20 0 GCADMP CC1CC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000787893991 1205405228 /nfs/dbraw/zinc/40/52/28/1205405228.db2.gz HJINEBFJJOGUQA-ZWKOTPCHSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787901138 1205409028 /nfs/dbraw/zinc/40/90/28/1205409028.db2.gz AINCGAXVCIHBPX-SQNIBIBYSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787901138 1205409029 /nfs/dbraw/zinc/40/90/29/1205409029.db2.gz AINCGAXVCIHBPX-SQNIBIBYSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787901138 1205409031 /nfs/dbraw/zinc/40/90/31/1205409031.db2.gz AINCGAXVCIHBPX-SQNIBIBYSA-N 2 1 380.533 0.737 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371032 1205463740 /nfs/dbraw/zinc/46/37/40/1205463740.db2.gz OCOZAMTVGVCROK-RZQQEMMASA-N 2 1 394.516 0.724 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371032 1205463741 /nfs/dbraw/zinc/46/37/41/1205463741.db2.gz OCOZAMTVGVCROK-RZQQEMMASA-N 2 1 394.516 0.724 20 0 GCADMP NC(=[NH2+])N(c1ccc(N2CCOCC2)cc1)c1nccc(N2CC[NH2+]CC2)n1 ZINC001170161144 1205482177 /nfs/dbraw/zinc/48/21/77/1205482177.db2.gz DGKUOVGIYWWZDH-UHFFFAOYSA-N 2 1 382.472 0.754 20 0 GCADMP COCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792147347 1205484187 /nfs/dbraw/zinc/48/41/87/1205484187.db2.gz AAMCKFNJESIHTK-MRXNPFEDSA-N 2 1 384.521 0.766 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792147347 1205484188 /nfs/dbraw/zinc/48/41/88/1205484188.db2.gz AAMCKFNJESIHTK-MRXNPFEDSA-N 2 1 384.521 0.766 20 0 GCADMP Cn1ccccc1=[N+]([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389497 1205491309 /nfs/dbraw/zinc/49/13/09/1205491309.db2.gz QZBYNZAHYQAYEU-FYAJOAKPSA-N 3 1 381.541 0.785 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718020 1205503496 /nfs/dbraw/zinc/50/34/96/1205503496.db2.gz AEAQOSYGOIPAII-IRXDYDNUSA-N 2 1 395.548 0.036 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000793803544 1205506474 /nfs/dbraw/zinc/50/64/74/1205506474.db2.gz TWPOAXRIRLSCGS-KRWDZBQOSA-N 2 1 382.468 0.889 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793802833 1205506568 /nfs/dbraw/zinc/50/65/68/1205506568.db2.gz ORXIANUHTUYHBB-DLBZAZTESA-N 2 1 398.467 0.171 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793802833 1205506569 /nfs/dbraw/zinc/50/65/69/1205506569.db2.gz ORXIANUHTUYHBB-DLBZAZTESA-N 2 1 398.467 0.171 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000793803906 1205506589 /nfs/dbraw/zinc/50/65/89/1205506589.db2.gz CUBHEFHENSJPPT-QGZVFWFLSA-N 2 1 382.468 0.792 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000793803906 1205506591 /nfs/dbraw/zinc/50/65/91/1205506591.db2.gz CUBHEFHENSJPPT-QGZVFWFLSA-N 2 1 382.468 0.792 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793915352 1205509470 /nfs/dbraw/zinc/50/94/70/1205509470.db2.gz XSGIMLPBKYKAKA-IGKNDFSCSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793915352 1205509471 /nfs/dbraw/zinc/50/94/71/1205509471.db2.gz XSGIMLPBKYKAKA-IGKNDFSCSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793915352 1205509472 /nfs/dbraw/zinc/50/94/72/1205509472.db2.gz XSGIMLPBKYKAKA-IGKNDFSCSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793916160 1205509511 /nfs/dbraw/zinc/50/95/11/1205509511.db2.gz XNZSIJGLIYENGH-MHORFTMASA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000793916160 1205509512 /nfs/dbraw/zinc/50/95/12/1205509512.db2.gz XNZSIJGLIYENGH-MHORFTMASA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000793916160 1205509513 /nfs/dbraw/zinc/50/95/13/1205509513.db2.gz XNZSIJGLIYENGH-MHORFTMASA-N 2 1 394.560 0.839 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001110102227 1205513567 /nfs/dbraw/zinc/51/35/67/1205513567.db2.gz WLUPTKVSLMEBPH-QPSCCSFWSA-N 2 1 379.423 0.744 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001110102227 1205513570 /nfs/dbraw/zinc/51/35/70/1205513570.db2.gz WLUPTKVSLMEBPH-QPSCCSFWSA-N 2 1 379.423 0.744 20 0 GCADMP CC[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000804379708 1205515301 /nfs/dbraw/zinc/51/53/01/1205515301.db2.gz OWTIGAWPITVZHQ-QZTJIDSGSA-N 2 1 398.548 0.125 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCF)[nH]2)CC[N@H+]1C ZINC001130209933 1205536569 /nfs/dbraw/zinc/53/65/69/1205536569.db2.gz RDCNGGDOEVQTHA-XQLPTFJDSA-N 2 1 382.484 0.583 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC[N@@H+]1C ZINC001130209933 1205536572 /nfs/dbraw/zinc/53/65/72/1205536572.db2.gz RDCNGGDOEVQTHA-XQLPTFJDSA-N 2 1 382.484 0.583 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCF)n[nH]2)CC[N@H+]1C ZINC001130209933 1205536573 /nfs/dbraw/zinc/53/65/73/1205536573.db2.gz RDCNGGDOEVQTHA-XQLPTFJDSA-N 2 1 382.484 0.583 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)NCc1ccon1 ZINC000806397130 1205556569 /nfs/dbraw/zinc/55/65/69/1205556569.db2.gz NFBWVDMTQZPNRC-UHFFFAOYSA-N 2 1 391.516 0.946 20 0 GCADMP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)nc12 ZINC000806537730 1205558331 /nfs/dbraw/zinc/55/83/31/1205558331.db2.gz VCZRVFVZHNCOQT-IAGOWNOFSA-N 2 1 385.468 0.281 20 0 GCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014650 1205587716 /nfs/dbraw/zinc/58/77/16/1205587716.db2.gz DTTNHVMNHCLPKJ-YWTNHNAXSA-N 2 1 393.532 0.448 20 0 GCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131014650 1205587718 /nfs/dbraw/zinc/58/77/18/1205587718.db2.gz DTTNHVMNHCLPKJ-YWTNHNAXSA-N 2 1 393.532 0.448 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810066908 1205633533 /nfs/dbraw/zinc/63/35/33/1205633533.db2.gz QNDUWEHWFCNILE-ZDUSSCGKSA-N 2 1 378.439 0.977 20 0 GCADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747802537 1205667422 /nfs/dbraw/zinc/66/74/22/1205667422.db2.gz ZSTRGIHNAGGQCR-HZPDHXFCSA-N 2 1 393.532 0.977 20 0 GCADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747802537 1205667424 /nfs/dbraw/zinc/66/74/24/1205667424.db2.gz ZSTRGIHNAGGQCR-HZPDHXFCSA-N 2 1 393.532 0.977 20 0 GCADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747802536 1205667512 /nfs/dbraw/zinc/66/75/12/1205667512.db2.gz ZSTRGIHNAGGQCR-HOTGVXAUSA-N 2 1 393.532 0.977 20 0 GCADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747802536 1205667514 /nfs/dbraw/zinc/66/75/14/1205667514.db2.gz ZSTRGIHNAGGQCR-HOTGVXAUSA-N 2 1 393.532 0.977 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013393 1205711471 /nfs/dbraw/zinc/71/14/71/1205711471.db2.gz HWKFVXMRRAGLEY-KBAYOESNSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013393 1205711472 /nfs/dbraw/zinc/71/14/72/1205711472.db2.gz HWKFVXMRRAGLEY-KBAYOESNSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013393 1205711473 /nfs/dbraw/zinc/71/14/73/1205711473.db2.gz HWKFVXMRRAGLEY-KBAYOESNSA-N 2 1 378.517 0.251 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172023521 1205712079 /nfs/dbraw/zinc/71/20/79/1205712079.db2.gz WJGVLVLGJBZYCP-KRWDZBQOSA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172023521 1205712081 /nfs/dbraw/zinc/71/20/81/1205712081.db2.gz WJGVLVLGJBZYCP-KRWDZBQOSA-N 2 1 384.528 0.782 20 0 GCADMP COCCC[NH+]1CCC([NH2+]C[C@H]2OCCc3cn(CC(=O)N(C)C)nc32)CC1 ZINC001172244145 1205714675 /nfs/dbraw/zinc/71/46/75/1205714675.db2.gz LLWCFAXQVGFHJC-GOSISDBHSA-N 2 1 393.532 0.676 20 0 GCADMP COC(=O)[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509061 1205722113 /nfs/dbraw/zinc/72/21/13/1205722113.db2.gz QFQKFIXVAYSQJT-MSOLQXFVSA-N 2 1 377.485 0.737 20 0 GCADMP COC(=O)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CCN1C(=O)c1ccccc1 ZINC001173493758 1205722547 /nfs/dbraw/zinc/72/25/47/1205722547.db2.gz AEIYAAJFOXIPOB-RBUKOAKNSA-N 2 1 389.496 0.879 20 0 GCADMP O=C(NCc1cc(N2CCS(=O)(=O)CC2)ccn1)[C@H]1CCc2nccn2C1 ZINC001178121985 1205783080 /nfs/dbraw/zinc/78/30/80/1205783080.db2.gz OFUYEIIISNVRQI-AWEZNQCLSA-N 2 1 389.481 0.392 20 0 GCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC001178693309 1205792183 /nfs/dbraw/zinc/79/21/83/1205792183.db2.gz ZGMZNFAMUXMFRW-QGZVFWFLSA-N 2 1 379.549 0.168 20 0 GCADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CN1CC[NH+](C)CC1)CCC2 ZINC001178947784 1205797085 /nfs/dbraw/zinc/79/70/85/1205797085.db2.gz AGNJKRTWOVJRSJ-UHFFFAOYSA-N 2 1 390.532 0.063 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)CN1CC[NH+](C)CC1)CCC2 ZINC001178947784 1205797086 /nfs/dbraw/zinc/79/70/86/1205797086.db2.gz AGNJKRTWOVJRSJ-UHFFFAOYSA-N 2 1 390.532 0.063 20 0 GCADMP C[N@H+]1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001179156795 1205804122 /nfs/dbraw/zinc/80/41/22/1205804122.db2.gz UHXRFCBVXQCMNT-GJZGRUSLSA-N 2 1 382.505 0.565 20 0 GCADMP NC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](Cc3c[nH]c4ncccc34)CC2)CC1 ZINC001180610993 1205828555 /nfs/dbraw/zinc/82/85/55/1205828555.db2.gz QNNPNXBTSGQDJV-UHFFFAOYSA-N 2 1 398.511 0.795 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978310 1205852671 /nfs/dbraw/zinc/85/26/71/1205852671.db2.gz NTPGLWBWKSRREU-PXNSSMCTSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978310 1205852673 /nfs/dbraw/zinc/85/26/73/1205852673.db2.gz NTPGLWBWKSRREU-PXNSSMCTSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CC[N@@H+](C(C)C)C3)C2)C1 ZINC001181978310 1205852675 /nfs/dbraw/zinc/85/26/75/1205852675.db2.gz NTPGLWBWKSRREU-PXNSSMCTSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CC[N@H+](C(C)C)C3)C2)C1 ZINC001181978310 1205852677 /nfs/dbraw/zinc/85/26/77/1205852677.db2.gz NTPGLWBWKSRREU-PXNSSMCTSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001181991504 1205852775 /nfs/dbraw/zinc/85/27/75/1205852775.db2.gz ACWLBGMTFIWKGA-OAHLLOKOSA-N 2 1 377.489 0.725 20 0 GCADMP C[N@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C2(O)CC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001182031639 1205854067 /nfs/dbraw/zinc/85/40/67/1205854067.db2.gz OGGCWYVAGVCAQP-QRVBRYPASA-N 2 1 388.512 0.729 20 0 GCADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(C(=O)C2(O)CC[NH+](C)CC2)[C@@H]2CCCO[C@H]12 ZINC001182031639 1205854068 /nfs/dbraw/zinc/85/40/68/1205854068.db2.gz OGGCWYVAGVCAQP-QRVBRYPASA-N 2 1 388.512 0.729 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)[C@@H]1CCC[N@H+]1CC1CC1)CC2 ZINC001182557659 1205875736 /nfs/dbraw/zinc/87/57/36/1205875736.db2.gz YXRWXEVDDRVBDQ-INIZCTEOSA-N 2 1 389.500 0.725 20 0 GCADMP O=C(NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182561134 1205876704 /nfs/dbraw/zinc/87/67/04/1205876704.db2.gz QRTVOGTXBUNNIB-SFHVURJKSA-N 2 1 392.525 0.807 20 0 GCADMP C[N@H+](CC(=O)n1cc(C[NH3+])cnc1=N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816790 1205900571 /nfs/dbraw/zinc/90/05/71/1205900571.db2.gz KMJKPQCOVYYVGS-AWEZNQCLSA-N 2 1 378.477 0.793 20 0 GCADMP C[N@@H+](CC(=O)n1cc(C[NH3+])cnc1=N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816790 1205900572 /nfs/dbraw/zinc/90/05/72/1205900572.db2.gz KMJKPQCOVYYVGS-AWEZNQCLSA-N 2 1 378.477 0.793 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[NH+](C)CCN1C)CCC2 ZINC001185253615 1205919348 /nfs/dbraw/zinc/91/93/48/1205919348.db2.gz XGGRIKMDTCVECK-KRWDZBQOSA-N 2 1 390.532 0.062 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@H+](C)CCN1C)CCC2 ZINC001185253615 1205919349 /nfs/dbraw/zinc/91/93/49/1205919349.db2.gz XGGRIKMDTCVECK-KRWDZBQOSA-N 2 1 390.532 0.062 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@@H+](C)CCN1C)CCC2 ZINC001185253615 1205919350 /nfs/dbraw/zinc/91/93/50/1205919350.db2.gz XGGRIKMDTCVECK-KRWDZBQOSA-N 2 1 390.532 0.062 20 0 GCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001185257555 1205919893 /nfs/dbraw/zinc/91/98/93/1205919893.db2.gz LGSAAHLUQVADET-ZDUSSCGKSA-N 2 1 386.422 0.826 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1nccc(C(F)(F)F)n1)C1CC[NH2+]CC1 ZINC001185257555 1205919895 /nfs/dbraw/zinc/91/98/95/1205919895.db2.gz LGSAAHLUQVADET-ZDUSSCGKSA-N 2 1 386.422 0.826 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000774853028 1205920875 /nfs/dbraw/zinc/92/08/75/1205920875.db2.gz GILADBXISDJWCS-RRFJBIMHSA-N 2 1 380.514 0.446 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC001186044993 1205934238 /nfs/dbraw/zinc/93/42/38/1205934238.db2.gz NYJVJFVBINUJBX-SJORKVTESA-N 2 1 396.532 0.643 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@@H]2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC001186044993 1205934239 /nfs/dbraw/zinc/93/42/39/1205934239.db2.gz NYJVJFVBINUJBX-SJORKVTESA-N 2 1 396.532 0.643 20 0 GCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2cc(OC)ccn2)C2CC[NH2+]CC2)C1 ZINC001186107760 1205935324 /nfs/dbraw/zinc/93/53/24/1205935324.db2.gz RHFISLVBTKALKH-AWEZNQCLSA-N 2 1 376.457 0.670 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2cc(OC)ccn2)C2CC[NH2+]CC2)C1 ZINC001186107760 1205935325 /nfs/dbraw/zinc/93/53/25/1205935325.db2.gz RHFISLVBTKALKH-AWEZNQCLSA-N 2 1 376.457 0.670 20 0 GCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NCC[NH+](C)CCNC(=O)OC(C)(C)C)C1 ZINC001186116983 1205935628 /nfs/dbraw/zinc/93/56/28/1205935628.db2.gz QIRKGZADFIMTQL-AWEZNQCLSA-N 2 1 386.493 0.054 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)CCNC(=O)OC(C)(C)C)C1 ZINC001186116983 1205935629 /nfs/dbraw/zinc/93/56/29/1205935629.db2.gz QIRKGZADFIMTQL-AWEZNQCLSA-N 2 1 386.493 0.054 20 0 GCADMP COC(=O)[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)CCNC(=O)OC(C)(C)C)C1 ZINC001186116983 1205935630 /nfs/dbraw/zinc/93/56/30/1205935630.db2.gz QIRKGZADFIMTQL-AWEZNQCLSA-N 2 1 386.493 0.054 20 0 GCADMP COC(=O)[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)CCNC(=O)OC(C)(C)C)C1 ZINC001186116983 1205935632 /nfs/dbraw/zinc/93/56/32/1205935632.db2.gz QIRKGZADFIMTQL-AWEZNQCLSA-N 2 1 386.493 0.054 20 0 GCADMP Cn1nnc2c1CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)[C@H]2COCC[NH+]1CCCC1 ZINC001186354197 1205938665 /nfs/dbraw/zinc/93/86/65/1205938665.db2.gz ZTMFQHSLYCGKEJ-WMZOPIPTSA-N 2 1 390.532 0.695 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(N)=O)oc1C ZINC001186357993 1205938720 /nfs/dbraw/zinc/93/87/20/1205938720.db2.gz OJHLHDJGYDSIGW-AWEZNQCLSA-N 2 1 386.518 0.724 20 0 GCADMP C[N@@H+]1[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187637640 1205966483 /nfs/dbraw/zinc/96/64/83/1205966483.db2.gz QVKINTRNIJNQLR-UWWQBHOKSA-N 2 1 392.460 0.495 20 0 GCADMP C[N@H+]1[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C[C@]2(C)COc3ccccc3[C@H]12 ZINC001187637640 1205966484 /nfs/dbraw/zinc/96/64/84/1205966484.db2.gz QVKINTRNIJNQLR-UWWQBHOKSA-N 2 1 392.460 0.495 20 0 GCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971483 1205972996 /nfs/dbraw/zinc/97/29/96/1205972996.db2.gz MWMNWIJLPSWFGX-QKPAOTATSA-N 2 1 379.505 0.095 20 0 GCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971483 1205972997 /nfs/dbraw/zinc/97/29/97/1205972997.db2.gz MWMNWIJLPSWFGX-QKPAOTATSA-N 2 1 379.505 0.095 20 0 GCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971483 1205972999 /nfs/dbraw/zinc/97/29/99/1205972999.db2.gz MWMNWIJLPSWFGX-QKPAOTATSA-N 2 1 379.505 0.095 20 0 GCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187971483 1205973001 /nfs/dbraw/zinc/97/30/01/1205973001.db2.gz MWMNWIJLPSWFGX-QKPAOTATSA-N 2 1 379.505 0.095 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CCCCCC1 ZINC000775220894 1205995586 /nfs/dbraw/zinc/99/55/86/1205995586.db2.gz CTDVBNCIFZHCPU-IRXDYDNUSA-N 2 1 380.533 0.737 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000775434874 1206055131 /nfs/dbraw/zinc/05/51/31/1206055131.db2.gz JCIRYQFCPXPZNX-AEFFLSMTSA-N 2 1 396.532 0.909 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)[C@H](C)C1 ZINC000775434874 1206055137 /nfs/dbraw/zinc/05/51/37/1206055137.db2.gz JCIRYQFCPXPZNX-AEFFLSMTSA-N 2 1 396.532 0.909 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]2C1 ZINC001164851884 720836044 /nfs/dbraw/zinc/83/60/44/720836044.db2.gz IOCRJQGKYPPWEW-ROUUACIJSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164848709 720840814 /nfs/dbraw/zinc/84/08/14/720840814.db2.gz AWOCVEMXRKKPIE-SJORKVTESA-N 2 1 376.505 0.060 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@@H]2C1 ZINC001164856074 720865602 /nfs/dbraw/zinc/86/56/02/720865602.db2.gz OJGDDOSSXODAMW-AEFFLSMTSA-N 2 1 390.532 0.578 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164856075 720865820 /nfs/dbraw/zinc/86/58/20/720865820.db2.gz OJGDDOSSXODAMW-FUHWJXTLSA-N 2 1 390.532 0.578 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@H]2C1 ZINC001164857380 720868665 /nfs/dbraw/zinc/86/86/65/720868665.db2.gz QRPMCTAAMLNSNU-HKUYNNGSSA-N 2 1 375.517 0.665 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164852972 720878009 /nfs/dbraw/zinc/87/80/09/720878009.db2.gz ASPCPRNNMMXKFY-WMZOPIPTSA-N 2 1 391.516 0.781 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164773643 721144590 /nfs/dbraw/zinc/14/45/90/721144590.db2.gz YNLMYXFQKCKTIV-MSOLQXFVSA-N 2 1 382.516 0.578 20 0 GCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889749 721391411 /nfs/dbraw/zinc/39/14/11/721391411.db2.gz MAAUJZRDXAFCHD-WIYYLYMNSA-N 2 1 386.544 0.888 20 0 GCADMP C[NH+](C)[C@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001165034404 721886627 /nfs/dbraw/zinc/88/66/27/721886627.db2.gz DQMXEZUOZMGTCG-HNNXBMFYSA-N 2 1 377.493 0.075 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264728 945492285 /nfs/dbraw/zinc/49/22/85/945492285.db2.gz VIYVIEJEHPVMKE-DLBZAZTESA-N 2 1 385.472 0.278 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189493 945648457 /nfs/dbraw/zinc/64/84/57/945648457.db2.gz MWZAOXTVYJUNBH-IRXDYDNUSA-N 2 1 387.488 0.826 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189493 945648463 /nfs/dbraw/zinc/64/84/63/945648463.db2.gz MWZAOXTVYJUNBH-IRXDYDNUSA-N 2 1 387.488 0.826 20 0 GCADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714058 949618874 /nfs/dbraw/zinc/61/88/74/949618874.db2.gz ZXZLGJLSOWKVJO-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574722735 949844168 /nfs/dbraw/zinc/84/41/68/949844168.db2.gz WLUOGOOAJKWMFP-HNNXBMFYSA-N 2 1 387.488 0.526 20 0 GCADMP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574158725 950284852 /nfs/dbraw/zinc/28/48/52/950284852.db2.gz RGHDNSXGLPSZHX-HUUCEWRRSA-N 2 1 386.504 0.968 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197451 950390125 /nfs/dbraw/zinc/39/01/25/950390125.db2.gz OKFPQQZKPXMDBS-CABCVRRESA-N 2 1 384.488 0.676 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204976 950486142 /nfs/dbraw/zinc/48/61/42/950486142.db2.gz DZFGNODELKYRGD-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208022 950605828 /nfs/dbraw/zinc/60/58/28/950605828.db2.gz LETSBZNJEJUSSQ-QLFBSQMISA-N 2 1 384.488 0.722 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575077416 951667971 /nfs/dbraw/zinc/66/79/71/951667971.db2.gz CLURMTORVRUJHD-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079727 951695870 /nfs/dbraw/zinc/69/58/70/951695870.db2.gz GAXPGSASECGBKR-LRDDRELGSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575079731 951696377 /nfs/dbraw/zinc/69/63/77/951696377.db2.gz GAXPGSASECGBKR-WBMJQRKESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082340 951732933 /nfs/dbraw/zinc/73/29/33/951732933.db2.gz XKQJFJOCSBHVGW-BLLLJJGKSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089040 951745995 /nfs/dbraw/zinc/74/59/95/951745995.db2.gz CQLJCVLRRSEHKI-WBMJQRKESA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089040 951745997 /nfs/dbraw/zinc/74/59/97/951745997.db2.gz CQLJCVLRRSEHKI-WBMJQRKESA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101246 951855699 /nfs/dbraw/zinc/85/56/99/951855699.db2.gz BGJCAJYCHCHWEL-OCCSQVGLSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571120502 952505383 /nfs/dbraw/zinc/50/53/83/952505383.db2.gz MLULHSPJZXVFOB-CHWSQXEVSA-N 2 1 375.502 0.961 20 0 GCADMP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571189977 952937769 /nfs/dbraw/zinc/93/77/69/952937769.db2.gz BKIPBNNGRUBBHF-KRWDZBQOSA-N 2 1 381.484 0.995 20 0 GCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571190257 952940941 /nfs/dbraw/zinc/94/09/41/952940941.db2.gz GBNKULWUXUHGMY-KRWDZBQOSA-N 2 1 381.484 0.995 20 0 GCADMP Cc1cc(N2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571213239 953093665 /nfs/dbraw/zinc/09/36/65/953093665.db2.gz PYXXWFPUKXEHPK-CBBWQLFWSA-N 2 1 382.472 0.700 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252619 953330477 /nfs/dbraw/zinc/33/04/77/953330477.db2.gz RQPAOVNNHARQFT-KBRIMQKVSA-N 2 1 384.488 0.817 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](CC(=O)[O-])CC1 ZINC000874417827 956205542 /nfs/dbraw/zinc/20/55/42/956205542.db2.gz RQIOWXKFUFCOOK-KRWDZBQOSA-N 2 1 383.537 0.593 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261800770 530269652 /nfs/dbraw/zinc/26/96/52/530269652.db2.gz USWCCDPJULVEBJ-NSHDSACASA-N 2 1 384.278 0.570 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cn2)C1 ZINC000261800770 530269654 /nfs/dbraw/zinc/26/96/54/530269654.db2.gz USWCCDPJULVEBJ-NSHDSACASA-N 2 1 384.278 0.570 20 0 GCADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000580646128 530616625 /nfs/dbraw/zinc/61/66/25/530616625.db2.gz CDTHQIBXEGEHNH-HNNXBMFYSA-N 2 1 383.290 0.729 20 0 GCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000580646128 530616626 /nfs/dbraw/zinc/61/66/26/530616626.db2.gz CDTHQIBXEGEHNH-HNNXBMFYSA-N 2 1 383.290 0.729 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000578168364 530728140 /nfs/dbraw/zinc/72/81/40/530728140.db2.gz RDBBZTCFVVTSJE-HNNXBMFYSA-N 2 1 377.551 0.863 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)CC(C)(C)C(=O)OC ZINC000578168364 530728145 /nfs/dbraw/zinc/72/81/45/530728145.db2.gz RDBBZTCFVVTSJE-HNNXBMFYSA-N 2 1 377.551 0.863 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)S(=O)(=O)CCCS(=O)(=O)[N-]c2c[nH]cn2)C1 ZINC000656375577 530840645 /nfs/dbraw/zinc/84/06/45/530840645.db2.gz ZJMLTRFSWXYGIQ-CYBMUJFWSA-N 2 1 393.535 0.286 20 0 GCADMP CNS(=O)(=O)CCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539150597 531039225 /nfs/dbraw/zinc/03/92/25/531039225.db2.gz ZYFJDKRTWDUSBX-IYBDPMFKSA-N 2 1 377.551 0.516 20 0 GCADMP CNS(=O)(=O)CCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539150597 531039227 /nfs/dbraw/zinc/03/92/27/531039227.db2.gz ZYFJDKRTWDUSBX-IYBDPMFKSA-N 2 1 377.551 0.516 20 0 GCADMP CCC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CC[NH2+]CC1 ZINC000431078304 531114990 /nfs/dbraw/zinc/11/49/90/531114990.db2.gz FRGFQIOVHRNSSN-UHFFFAOYSA-N 2 1 376.567 0.627 20 0 GCADMP CCC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)C1CC[NH2+]CC1 ZINC000431078304 531114993 /nfs/dbraw/zinc/11/49/93/531114993.db2.gz FRGFQIOVHRNSSN-UHFFFAOYSA-N 2 1 376.567 0.627 20 0 GCADMP CC[N@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435615746 531141617 /nfs/dbraw/zinc/14/16/17/531141617.db2.gz IWKQGPHCYGTNJH-INIZCTEOSA-N 2 1 376.567 0.627 20 0 GCADMP CC[N@@H+](CC(=O)NCCCN(C(C)C)S(C)(=O)=O)[C@H]1CCC[NH2+]CC1 ZINC000435615746 531141619 /nfs/dbraw/zinc/14/16/19/531141619.db2.gz IWKQGPHCYGTNJH-INIZCTEOSA-N 2 1 376.567 0.627 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736147291 598366116 /nfs/dbraw/zinc/36/61/16/598366116.db2.gz MFXNZFJTMKTHQK-LBPRGKRZSA-N 2 1 393.517 0.891 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736147291 598366119 /nfs/dbraw/zinc/36/61/19/598366119.db2.gz MFXNZFJTMKTHQK-LBPRGKRZSA-N 2 1 393.517 0.891 20 0 GCADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]CC1([NH+]3CCCC3)CCOCC1)C2 ZINC000738449038 598531757 /nfs/dbraw/zinc/53/17/57/598531757.db2.gz DBOPKNDXTDXKAG-CQSZACIVSA-N 2 1 387.492 0.340 20 0 GCADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736847288 598768051 /nfs/dbraw/zinc/76/80/51/598768051.db2.gz GEPVWMWWGBVQSY-MRXNPFEDSA-N 2 1 383.456 0.772 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)cn2)CC1 ZINC000821628880 606796931 /nfs/dbraw/zinc/79/69/31/606796931.db2.gz STUJEAOKUYEDIZ-UHFFFAOYSA-N 2 1 395.471 0.577 20 0 GCADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772946615 640852518 /nfs/dbraw/zinc/85/25/18/640852518.db2.gz ODCKOAUZKHRSPA-DLBZAZTESA-N 2 1 377.551 0.375 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772946615 640852521 /nfs/dbraw/zinc/85/25/21/640852521.db2.gz ODCKOAUZKHRSPA-DLBZAZTESA-N 2 1 377.551 0.375 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772946622 640852619 /nfs/dbraw/zinc/85/26/19/640852619.db2.gz ODCKOAUZKHRSPA-IRXDYDNUSA-N 2 1 377.551 0.375 20 0 GCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772946622 640852623 /nfs/dbraw/zinc/85/26/23/640852623.db2.gz ODCKOAUZKHRSPA-IRXDYDNUSA-N 2 1 377.551 0.375 20 0 GCADMP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925813695 641918691 /nfs/dbraw/zinc/91/86/91/641918691.db2.gz VQUILEUOUWQJCR-HOCLYGCPSA-N 2 1 387.527 0.889 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950359 1192166177 /nfs/dbraw/zinc/16/61/77/1192166177.db2.gz GTTHAPLHESVOSO-YTQUADARSA-N 2 1 388.512 0.336 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662963923 1192172234 /nfs/dbraw/zinc/17/22/34/1192172234.db2.gz ZPRANSGKADKDTP-GOSISDBHSA-N 2 1 394.560 0.794 20 0 GCADMP O=C(c1cc([C@@H]2CC[NH2+]C2)[nH]n1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663017167 1192186125 /nfs/dbraw/zinc/18/61/25/1192186125.db2.gz IRNKGYGXBPPQMU-CABCVRRESA-N 2 1 398.515 0.639 20 0 GCADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(=O)N1CCCCC1 ZINC000652347720 1192198749 /nfs/dbraw/zinc/19/87/49/1192198749.db2.gz KAOWERTXBFDBMF-XLAORIBOSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353489 1192202382 /nfs/dbraw/zinc/20/23/82/1192202382.db2.gz LRBVBDJDLJKJDZ-WMLDXEAASA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652353489 1192202383 /nfs/dbraw/zinc/20/23/83/1192202383.db2.gz LRBVBDJDLJKJDZ-WMLDXEAASA-N 2 1 382.530 0.442 20 0 GCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652352166 1192202507 /nfs/dbraw/zinc/20/25/07/1192202507.db2.gz NMZAJADJYZHSFA-JXFKEZNVSA-N 2 1 379.549 0.106 20 0 GCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1 ZINC000652352166 1192202511 /nfs/dbraw/zinc/20/25/11/1192202511.db2.gz NMZAJADJYZHSFA-JXFKEZNVSA-N 2 1 379.549 0.106 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085075 1192208172 /nfs/dbraw/zinc/20/81/72/1192208172.db2.gz KWMSIJFNTZNHDR-QAPCUYQASA-N 2 1 392.500 0.709 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085075 1192208174 /nfs/dbraw/zinc/20/81/74/1192208174.db2.gz KWMSIJFNTZNHDR-QAPCUYQASA-N 2 1 392.500 0.709 20 0 GCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)NCCC[N@@H+](C)CC(C)C)CC1 ZINC000652459920 1192228192 /nfs/dbraw/zinc/22/81/92/1192228192.db2.gz UZVBXOOEZMPIFD-UHFFFAOYSA-N 2 1 391.516 0.833 20 0 GCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000662245178 1192269091 /nfs/dbraw/zinc/26/90/91/1192269091.db2.gz RVWZATDRLJNNDH-INIZCTEOSA-N 2 1 380.514 0.239 20 0 GCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000662263536 1192272899 /nfs/dbraw/zinc/27/28/99/1192272899.db2.gz CCIUKFJRAGEGCG-AEFFLSMTSA-N 2 1 394.541 0.675 20 0 GCADMP Cc1cc(NC(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)ccc1C[NH+](C)C ZINC000663301436 1192275383 /nfs/dbraw/zinc/27/53/83/1192275383.db2.gz QEXYQYDIBKRPNO-UHFFFAOYSA-N 2 1 376.501 0.910 20 0 GCADMP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccc1C[NH+](C)C ZINC000663301436 1192275387 /nfs/dbraw/zinc/27/53/87/1192275387.db2.gz QEXYQYDIBKRPNO-UHFFFAOYSA-N 2 1 376.501 0.910 20 0 GCADMP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279964 1192276000 /nfs/dbraw/zinc/27/60/00/1192276000.db2.gz BNFJXAUFYDXEJF-GJZGRUSLSA-N 2 1 376.509 0.191 20 0 GCADMP CC(C)(C)n1nnc(CC[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279964 1192276003 /nfs/dbraw/zinc/27/60/03/1192276003.db2.gz BNFJXAUFYDXEJF-GJZGRUSLSA-N 2 1 376.509 0.191 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@@H](C)O1 ZINC000662336580 1192284616 /nfs/dbraw/zinc/28/46/16/1192284616.db2.gz ZYWSCEFMBABYOY-BRWVUGGUSA-N 2 1 390.532 0.635 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@@H](C)O1 ZINC000662336580 1192284619 /nfs/dbraw/zinc/28/46/19/1192284619.db2.gz ZYWSCEFMBABYOY-BRWVUGGUSA-N 2 1 390.532 0.635 20 0 GCADMP [NH3+]CCn1cc(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000662390770 1192288750 /nfs/dbraw/zinc/28/87/50/1192288750.db2.gz MXFGKBMLZXVYGG-UHFFFAOYSA-N 2 1 385.516 0.565 20 0 GCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000662452876 1192298999 /nfs/dbraw/zinc/29/89/99/1192298999.db2.gz XXZXWCAEIWOTHU-INIZCTEOSA-N 2 1 388.516 0.503 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662463269 1192300552 /nfs/dbraw/zinc/30/05/52/1192300552.db2.gz TXXIQQGWNXFLHL-INIZCTEOSA-N 2 1 377.489 0.278 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662466740 1192300919 /nfs/dbraw/zinc/30/09/19/1192300919.db2.gz XZVULHWOOSTOTP-JKSUJKDBSA-N 2 1 383.500 0.822 20 0 GCADMP O=c1onc(-c2ccccc2)n1C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663362763 1192303471 /nfs/dbraw/zinc/30/34/71/1192303471.db2.gz CUPLESUPIJFCEJ-ZWKOTPCHSA-N 2 1 388.468 0.707 20 0 GCADMP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678108 1192325889 /nfs/dbraw/zinc/32/58/89/1192325889.db2.gz BNKCBQHZYHCTBZ-MSOLQXFVSA-N 2 1 390.484 0.327 20 0 GCADMP CNc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000467741647 1192330018 /nfs/dbraw/zinc/33/00/18/1192330018.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 2 1 386.548 0.256 20 0 GCADMP CNc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000467741647 1192330024 /nfs/dbraw/zinc/33/00/24/1192330024.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 3 1 386.548 0.256 20 0 GCADMP CNc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC000467741647 1192330029 /nfs/dbraw/zinc/33/00/29/1192330029.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 3 1 386.548 0.256 20 0 GCADMP CNc1nc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]1 ZINC000467741647 1192330030 /nfs/dbraw/zinc/33/00/30/1192330030.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 3 1 386.548 0.256 20 0 GCADMP CNc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)[nH+]1 ZINC000467741647 1192330035 /nfs/dbraw/zinc/33/00/35/1192330035.db2.gz KZCPCMRJHIIOFD-QBPKDAKJSA-N 3 1 386.548 0.256 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663514538 1192371809 /nfs/dbraw/zinc/37/18/09/1192371809.db2.gz ZQCHZTLCZUKJFF-DLBZAZTESA-N 3 1 389.548 0.196 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccco1 ZINC000652665934 1192378070 /nfs/dbraw/zinc/37/80/70/1192378070.db2.gz VTPCSYNHWOSRFS-LISAXSMJSA-N 2 1 392.500 0.743 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643547096 1192385859 /nfs/dbraw/zinc/38/58/59/1192385859.db2.gz ZRTURPIBOYLZNN-DOTOQJQBSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000643547096 1192385860 /nfs/dbraw/zinc/38/58/60/1192385860.db2.gz ZRTURPIBOYLZNN-DOTOQJQBSA-N 2 1 394.560 0.527 20 0 GCADMP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085156 1192382014 /nfs/dbraw/zinc/38/20/14/1192382014.db2.gz ALXJJPGSJURECX-MSOLQXFVSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085156 1192382021 /nfs/dbraw/zinc/38/20/21/1192382021.db2.gz ALXJJPGSJURECX-MSOLQXFVSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000637085156 1192382025 /nfs/dbraw/zinc/38/20/25/1192382025.db2.gz ALXJJPGSJURECX-MSOLQXFVSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000637085156 1192382029 /nfs/dbraw/zinc/38/20/29/1192382029.db2.gz ALXJJPGSJURECX-MSOLQXFVSA-N 2 1 378.542 0.970 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725337 1192398804 /nfs/dbraw/zinc/39/88/04/1192398804.db2.gz MSTFKHSQVGTDCT-IPMKNSEASA-N 2 1 391.560 0.356 20 0 GCADMP Cn1cc(S(=O)(=O)N2CCC([NH2+]Cc3ncc(C[NH+](C)C)s3)CC2)cn1 ZINC000512036774 1192403240 /nfs/dbraw/zinc/40/32/40/1192403240.db2.gz LTCKSRZCUFQMST-UHFFFAOYSA-N 2 1 398.558 0.881 20 0 GCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663585037 1192404807 /nfs/dbraw/zinc/40/48/07/1192404807.db2.gz OLTWFADWZLPGQD-SFHVURJKSA-N 2 1 395.529 0.886 20 0 GCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663585037 1192404808 /nfs/dbraw/zinc/40/48/08/1192404808.db2.gz OLTWFADWZLPGQD-SFHVURJKSA-N 2 1 395.529 0.886 20 0 GCADMP O=C(CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000278958463 1192422433 /nfs/dbraw/zinc/42/24/33/1192422433.db2.gz HWFKNNSEWBZKED-QGZVFWFLSA-N 2 1 396.495 0.561 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)C[C@@H]1O ZINC000663661439 1192460967 /nfs/dbraw/zinc/46/09/67/1192460967.db2.gz ADFJDSWFESFAPJ-ROUUACIJSA-N 2 1 379.480 0.264 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)cc2)CC1 ZINC000279108674 1192467693 /nfs/dbraw/zinc/46/76/93/1192467693.db2.gz YCBHYFMJYFMIND-KRWDZBQOSA-N 2 1 396.495 0.804 20 0 GCADMP C[C@@H](NC(=O)COCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000512136149 1192468712 /nfs/dbraw/zinc/46/87/12/1192468712.db2.gz BYQZKZZEFLMCOG-IYBDPMFKSA-N 2 1 378.517 0.536 20 0 GCADMP C[C@@H](NC(=O)COCC(=O)N[C@@H](C)C1=CC[NH+](C)CC1)C1=CC[N@H+](C)CC1 ZINC000512136149 1192468717 /nfs/dbraw/zinc/46/87/17/1192468717.db2.gz BYQZKZZEFLMCOG-IYBDPMFKSA-N 2 1 378.517 0.536 20 0 GCADMP C[C@@H](NC(=O)COCC(=O)N[C@@H](C)C1=CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000512136149 1192468722 /nfs/dbraw/zinc/46/87/22/1192468722.db2.gz BYQZKZZEFLMCOG-IYBDPMFKSA-N 2 1 378.517 0.536 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)NCCC(C)(C)O ZINC000512217447 1192551404 /nfs/dbraw/zinc/55/14/04/1192551404.db2.gz HAKGSUCNMHWSAN-UHFFFAOYSA-N 2 1 396.576 0.918 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187413152 1192589473 /nfs/dbraw/zinc/58/94/73/1192589473.db2.gz VWVLQVCGOQACFV-SFHVURJKSA-N 2 1 383.581 0.891 20 0 GCADMP Cc1c[nH+]c(N2CCC(C[NH3+])CC2)nc1NCCNC(=O)N1CCOCC1 ZINC001167889077 1192590970 /nfs/dbraw/zinc/59/09/70/1192590970.db2.gz GISUVFDNDWCBET-UHFFFAOYSA-N 2 1 377.493 0.414 20 0 GCADMP COCC1(CNC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000418638782 1192623055 /nfs/dbraw/zinc/62/30/55/1192623055.db2.gz LSWPWFVULMJKGB-OAQYLSRUSA-N 2 1 390.528 0.939 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000500475130 1192625414 /nfs/dbraw/zinc/62/54/14/1192625414.db2.gz VHFGZBLRJAYGMW-QGZVFWFLSA-N 2 1 382.549 0.840 20 0 GCADMP COC[C@]1(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652719 1192625495 /nfs/dbraw/zinc/62/54/95/1192625495.db2.gz JEQZWNSCJXCNID-WSTZPKSXSA-N 2 1 376.501 0.690 20 0 GCADMP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418803682 1192649356 /nfs/dbraw/zinc/64/93/56/1192649356.db2.gz YURNBALQRUCWFY-CQSZACIVSA-N 2 1 382.427 0.661 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418826708 1192657640 /nfs/dbraw/zinc/65/76/40/1192657640.db2.gz GJOQDUHHPQDGNK-DLBZAZTESA-N 2 1 380.533 0.642 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+](C)C ZINC000418831499 1192659467 /nfs/dbraw/zinc/65/94/67/1192659467.db2.gz GKXFSTJKDQDFDB-IMJJTQAJSA-N 2 1 392.500 0.643 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418833150 1192660023 /nfs/dbraw/zinc/66/00/23/1192660023.db2.gz KTMDYRJRECAVRK-ARFHVFGLSA-N 2 1 378.473 0.497 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418832384 1192660191 /nfs/dbraw/zinc/66/01/91/1192660191.db2.gz HDMLFDWCUOIOTF-VYDXJSESSA-N 2 1 376.501 0.918 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000418850482 1192665510 /nfs/dbraw/zinc/66/55/10/1192665510.db2.gz NYXUMIBPTOHTNR-MRXNPFEDSA-N 2 1 376.501 0.920 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418854779 1192666177 /nfs/dbraw/zinc/66/61/77/1192666177.db2.gz UCNYGVSIGCHRJU-RDJZCZTQSA-N 2 1 376.501 0.872 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000418854893 1192666878 /nfs/dbraw/zinc/66/68/78/1192666878.db2.gz UFCMNBCBTITFDE-INMHGKMJSA-N 2 1 376.501 1.000 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)n1C ZINC000418857762 1192669456 /nfs/dbraw/zinc/66/94/56/1192669456.db2.gz TWNOOUMSMNBGOZ-HOCLYGCPSA-N 2 1 376.505 0.483 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000418857967 1192669496 /nfs/dbraw/zinc/66/94/96/1192669496.db2.gz UELXRHHXNCZZMN-HNNXBMFYSA-N 2 1 393.557 0.902 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)cs1 ZINC000418859567 1192670757 /nfs/dbraw/zinc/67/07/57/1192670757.db2.gz YAVOIZHCJSRKDA-INIZCTEOSA-N 2 1 393.557 0.887 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418884216 1192678652 /nfs/dbraw/zinc/67/86/52/1192678652.db2.gz WLNRWIQZAXVXFP-ZWKOTPCHSA-N 2 1 376.501 0.503 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000418927322 1192693502 /nfs/dbraw/zinc/69/35/02/1192693502.db2.gz SOQCTASYYQTXTP-ROUUACIJSA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000418926412 1192694062 /nfs/dbraw/zinc/69/40/62/1192694062.db2.gz RFXSBHONHFWVEO-QGZVFWFLSA-N 2 1 380.533 0.452 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000418932392 1192694546 /nfs/dbraw/zinc/69/45/46/1192694546.db2.gz ZCWNXDMESKSDBK-GOSISDBHSA-N 2 1 382.549 0.888 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418958483 1192700349 /nfs/dbraw/zinc/70/03/49/1192700349.db2.gz GFJVVTPIBMNLTQ-UHFFFAOYSA-N 2 1 384.427 0.488 20 0 GCADMP [NH3+]CCNC(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC000418973432 1192706089 /nfs/dbraw/zinc/70/60/89/1192706089.db2.gz AHGWWLQRLLGKRC-RBUKOAKNSA-N 2 1 384.455 0.985 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000418970565 1192707548 /nfs/dbraw/zinc/70/75/48/1192707548.db2.gz WSFBBTMQOXTIDG-XIVBQZFQSA-N 2 1 388.512 0.856 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971552 1192705924 /nfs/dbraw/zinc/70/59/24/1192705924.db2.gz YCDNQCKRPDNGEJ-JKSUJKDBSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971552 1192705927 /nfs/dbraw/zinc/70/59/27/1192705927.db2.gz YCDNQCKRPDNGEJ-JKSUJKDBSA-N 2 1 390.484 0.344 20 0 GCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)C(C)C ZINC000410574738 1192722511 /nfs/dbraw/zinc/72/25/11/1192722511.db2.gz LJGBWCHSUFNDSX-UHFFFAOYSA-N 2 1 384.565 0.869 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419026763 1192728483 /nfs/dbraw/zinc/72/84/83/1192728483.db2.gz NSCOFKDJQNKPDA-JFRXWTBNSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419021267 1192726062 /nfs/dbraw/zinc/72/60/62/1192726062.db2.gz GQLQTFBTHVXCDU-KCITZHQASA-N 2 1 394.560 0.968 20 0 GCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419024924 1192727591 /nfs/dbraw/zinc/72/75/91/1192727591.db2.gz LHCGBGPMDCXENZ-INIZCTEOSA-N 2 1 382.549 0.970 20 0 GCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C1 ZINC000419033890 1192733306 /nfs/dbraw/zinc/73/33/06/1192733306.db2.gz XRRKYVYZVVJKNY-WDSOQIARSA-N 2 1 388.512 0.857 20 0 GCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000419033886 1192733178 /nfs/dbraw/zinc/73/31/78/1192733178.db2.gz XRRKYVYZVVJKNY-QXAKKESOSA-N 2 1 388.512 0.857 20 0 GCADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c2ccccc2)CC1 ZINC000237228957 1192734378 /nfs/dbraw/zinc/73/43/78/1192734378.db2.gz GOWCRKWLZQBFSH-RBUKOAKNSA-N 2 1 387.528 0.289 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000419046342 1192740570 /nfs/dbraw/zinc/74/05/70/1192740570.db2.gz XVABSFHQCIOLLK-MRXNPFEDSA-N 2 1 376.505 0.812 20 0 GCADMP CCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000419043539 1192741314 /nfs/dbraw/zinc/74/13/14/1192741314.db2.gz RMRDZLKHUISKRG-RCCFBDPRSA-N 2 1 382.549 0.840 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@@H](C)C1 ZINC000419045056 1192742053 /nfs/dbraw/zinc/74/20/53/1192742053.db2.gz VNELYUUDEICUIJ-VMXHOPILSA-N 2 1 394.560 0.825 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000419061048 1192756901 /nfs/dbraw/zinc/75/69/01/1192756901.db2.gz FRKYGOYAINTMCN-CALCHBBNSA-N 2 1 390.528 0.978 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000419061048 1192756904 /nfs/dbraw/zinc/75/69/04/1192756904.db2.gz FRKYGOYAINTMCN-CALCHBBNSA-N 2 1 390.528 0.978 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@@H](C)O1 ZINC000419061050 1192757241 /nfs/dbraw/zinc/75/72/41/1192757241.db2.gz FRKYGOYAINTMCN-IAGOWNOFSA-N 2 1 390.528 0.978 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000419065146 1192760571 /nfs/dbraw/zinc/76/05/71/1192760571.db2.gz ZARSPEMGPWTLFO-QXAKKESOSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)[C@@H](C)C[NH2+]1 ZINC000419067150 1192762514 /nfs/dbraw/zinc/76/25/14/1192762514.db2.gz FWVCCCAMQDLWAZ-IKGGRYGDSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)[C@@H](C)C[NH2+]1 ZINC000419067150 1192762518 /nfs/dbraw/zinc/76/25/18/1192762518.db2.gz FWVCCCAMQDLWAZ-IKGGRYGDSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)[C@H](C)C[NH2+]1 ZINC000419067148 1192762871 /nfs/dbraw/zinc/76/28/71/1192762871.db2.gz FWVCCCAMQDLWAZ-BRWVUGGUSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)[C@H](C)C[NH2+]1 ZINC000419067148 1192762875 /nfs/dbraw/zinc/76/28/75/1192762875.db2.gz FWVCCCAMQDLWAZ-BRWVUGGUSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCCC[NH2+]C3CC3)c2)CCO1 ZINC000419071390 1192767790 /nfs/dbraw/zinc/76/77/90/1192767790.db2.gz LBBRUEBEEMOZBB-MRXNPFEDSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCCC[NH2+]C3CC3)c2)CCO1 ZINC000419071390 1192767792 /nfs/dbraw/zinc/76/77/92/1192767792.db2.gz LBBRUEBEEMOZBB-MRXNPFEDSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000440401203 1192768609 /nfs/dbraw/zinc/76/86/09/1192768609.db2.gz CVHIXUGHFDKFQF-NSHGMRRFSA-N 2 1 396.576 0.333 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419074229 1192771293 /nfs/dbraw/zinc/77/12/93/1192771293.db2.gz NJQJPJQWAUOHJX-YJBOKZPZSA-N 2 1 376.501 0.623 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419074229 1192771300 /nfs/dbraw/zinc/77/13/00/1192771300.db2.gz NJQJPJQWAUOHJX-YJBOKZPZSA-N 2 1 376.501 0.623 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C[C@@H](C)[NH2+]1 ZINC000419078553 1192776065 /nfs/dbraw/zinc/77/60/65/1192776065.db2.gz SUNGQZSCMJTMNU-BRWVUGGUSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C[C@@H](C)[NH2+]1 ZINC000419078553 1192776067 /nfs/dbraw/zinc/77/60/67/1192776067.db2.gz SUNGQZSCMJTMNU-BRWVUGGUSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CCO1 ZINC000419082314 1192777467 /nfs/dbraw/zinc/77/74/67/1192777467.db2.gz ZQKZJOWJWLZFGH-INIZCTEOSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CCO1 ZINC000419082314 1192777470 /nfs/dbraw/zinc/77/74/70/1192777470.db2.gz ZQKZJOWJWLZFGH-INIZCTEOSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000419088275 1192779826 /nfs/dbraw/zinc/77/98/26/1192779826.db2.gz QTMNIAPCQINOFA-BPKGMFCQSA-N 2 1 380.533 0.495 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000419088275 1192779833 /nfs/dbraw/zinc/77/98/33/1192779833.db2.gz QTMNIAPCQINOFA-BPKGMFCQSA-N 2 1 380.533 0.495 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419086099 1192782994 /nfs/dbraw/zinc/78/29/94/1192782994.db2.gz NKYWEHQYTWGYNY-IYBDPMFKSA-N 2 1 398.548 0.347 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419086099 1192783001 /nfs/dbraw/zinc/78/30/01/1192783001.db2.gz NKYWEHQYTWGYNY-IYBDPMFKSA-N 2 1 398.548 0.347 20 0 GCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419095314 1192788055 /nfs/dbraw/zinc/78/80/55/1192788055.db2.gz KNVCFRWRLMMGGG-GJZGRUSLSA-N 2 1 384.402 0.874 20 0 GCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419095314 1192788059 /nfs/dbraw/zinc/78/80/59/1192788059.db2.gz KNVCFRWRLMMGGG-GJZGRUSLSA-N 2 1 384.402 0.874 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109323 1192789908 /nfs/dbraw/zinc/78/99/08/1192789908.db2.gz ATJCFYRRSOWDDN-NJAFHUGGSA-N 2 1 382.549 0.825 20 0 GCADMP Cc1ccc(NCCCNC(=O)C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)[nH+]c1 ZINC000419104825 1192792533 /nfs/dbraw/zinc/79/25/33/1192792533.db2.gz UTNVSJFKSGFHIT-UHFFFAOYSA-N 2 1 399.539 1.578 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+]1CCOCC1 ZINC000419123744 1192796275 /nfs/dbraw/zinc/79/62/75/1192796275.db2.gz WFOODUIJVHWUBE-OKYOBFRVSA-N 2 1 394.560 0.825 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCN(C)CC1 ZINC000419128210 1192797792 /nfs/dbraw/zinc/79/77/92/1192797792.db2.gz VOISWTBVNUCVOG-OALUTQOASA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCN(C)CC1 ZINC000419127672 1192797990 /nfs/dbraw/zinc/79/79/90/1192797990.db2.gz RWDDQICCXOGQLZ-ZWKOTPCHSA-N 2 1 381.565 0.398 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419111152 1192798231 /nfs/dbraw/zinc/79/82/31/1192798231.db2.gz CWOGDIXQXXAOMP-AEFFLSMTSA-N 2 1 382.549 0.827 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419110962 1192798530 /nfs/dbraw/zinc/79/85/30/1192798530.db2.gz SSOJEPRPPRBPKM-ROUUACIJSA-N 2 1 388.512 0.589 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419160462 1192818502 /nfs/dbraw/zinc/81/85/02/1192818502.db2.gz HLBZJCHCDAMVAP-LJQANCHMSA-N 2 1 389.544 0.281 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)[NH2+]1 ZINC000419166089 1192822966 /nfs/dbraw/zinc/82/29/66/1192822966.db2.gz OFOPWQVMZFHZKP-ZIFCJYIRSA-N 2 1 388.512 0.603 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419163552 1192820621 /nfs/dbraw/zinc/82/06/21/1192820621.db2.gz LOYOQKAMEKYVFG-OALUTQOASA-N 2 1 390.528 0.754 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419162837 1192821600 /nfs/dbraw/zinc/82/16/00/1192821600.db2.gz ICKSGNKGRPYOAR-SFHVURJKSA-N 2 1 376.501 0.510 20 0 GCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168046 1192823224 /nfs/dbraw/zinc/82/32/24/1192823224.db2.gz ROMUSGQSJPSVRE-LJQANCHMSA-N 2 1 386.496 0.430 20 0 GCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000419176129 1192828166 /nfs/dbraw/zinc/82/81/66/1192828166.db2.gz YSMMPVHIGFRMCM-DLBZAZTESA-N 2 1 395.548 0.069 20 0 GCADMP COc1cc(C[NH+](C)[C@@]2(CO)CCOC2)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000432868762 1192830722 /nfs/dbraw/zinc/83/07/22/1192830722.db2.gz XOLGZXKXDTYWKF-NHCUHLMSSA-N 2 1 394.512 0.862 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196017 1192832551 /nfs/dbraw/zinc/83/25/51/1192832551.db2.gz AGWKSLIEDLBJJT-APWZRJJASA-N 2 1 388.512 0.639 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419184086 1192835293 /nfs/dbraw/zinc/83/52/93/1192835293.db2.gz FNUBVJDJLCSIGF-MRXNPFEDSA-N 2 1 376.501 0.457 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000419196844 1192837183 /nfs/dbraw/zinc/83/71/83/1192837183.db2.gz BDFBUQBEWHYHJW-MELADBBJSA-N 2 1 378.439 0.963 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000419196844 1192837189 /nfs/dbraw/zinc/83/71/89/1192837189.db2.gz BDFBUQBEWHYHJW-MELADBBJSA-N 2 1 378.439 0.963 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)CCC(F)(F)F ZINC000419200284 1192839749 /nfs/dbraw/zinc/83/97/49/1192839749.db2.gz DZBPVYBXRRDNGE-VXGBXAGGSA-N 2 1 382.427 0.606 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)CCC(F)(F)F ZINC000419200284 1192839754 /nfs/dbraw/zinc/83/97/54/1192839754.db2.gz DZBPVYBXRRDNGE-VXGBXAGGSA-N 2 1 382.427 0.606 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893742962 1192848581 /nfs/dbraw/zinc/84/85/81/1192848581.db2.gz NPJHTLDQKMTBGZ-MKXGPGLRSA-N 2 1 380.533 0.605 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419203912 1192850460 /nfs/dbraw/zinc/85/04/60/1192850460.db2.gz OLGSCFGXWTZMEG-FUHWJXTLSA-N 2 1 376.501 0.589 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893741580 1192847805 /nfs/dbraw/zinc/84/78/05/1192847805.db2.gz SKBDUMDRINLCST-WCIQWLHISA-N 2 1 394.560 0.995 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)C1 ZINC000419204789 1192857557 /nfs/dbraw/zinc/85/75/57/1192857557.db2.gz JEYJDGBMIGLSGY-VQIMIIECSA-N 2 1 388.512 0.721 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893825231 1192864059 /nfs/dbraw/zinc/86/40/59/1192864059.db2.gz CUTLZNVEKVCWEQ-CABCVRRESA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CC[C@@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000893873872 1192870158 /nfs/dbraw/zinc/87/01/58/1192870158.db2.gz RNARCXDRFXQTEK-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)NCc1cc[nH]n1 ZINC000549793879 1192882003 /nfs/dbraw/zinc/88/20/03/1192882003.db2.gz WBYNCLWNMOPODA-UHFFFAOYSA-N 2 1 390.532 0.681 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964770 1192884790 /nfs/dbraw/zinc/88/47/90/1192884790.db2.gz USPLXJJIEKTCHG-NHCUHLMSSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964770 1192884796 /nfs/dbraw/zinc/88/47/96/1192884796.db2.gz USPLXJJIEKTCHG-NHCUHLMSSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964770 1192884803 /nfs/dbraw/zinc/88/48/03/1192884803.db2.gz USPLXJJIEKTCHG-NHCUHLMSSA-N 2 1 399.543 0.640 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1CCOC ZINC000410730788 1192896961 /nfs/dbraw/zinc/89/69/61/1192896961.db2.gz NJYNHKPKVMRKAX-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@H+]1CCOC ZINC000410730788 1192896969 /nfs/dbraw/zinc/89/69/69/1192896969.db2.gz NJYNHKPKVMRKAX-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC[NH+]1CCOC ZINC000410730788 1192896974 /nfs/dbraw/zinc/89/69/74/1192896974.db2.gz NJYNHKPKVMRKAX-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC[NH+]1CCOC ZINC000410730788 1192896979 /nfs/dbraw/zinc/89/69/79/1192896979.db2.gz NJYNHKPKVMRKAX-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP C[C@@H]1CN(c2nccc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)n2)C[C@H](C)[NH+]1CCO ZINC000894081512 1192897014 /nfs/dbraw/zinc/89/70/14/1192897014.db2.gz ZRTORZMWMKISBK-USTZCAOPSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1CN(c2ccnc(N3C[C@@H](C)[N@@H+](CCO)[C@@H](C)C3)n2)C[C@H](C)[NH+]1CCO ZINC000894081512 1192897019 /nfs/dbraw/zinc/89/70/19/1192897019.db2.gz ZRTORZMWMKISBK-USTZCAOPSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1CN(c2ccnc(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)n2)C[C@H](C)[NH+]1CCO ZINC000894081512 1192897023 /nfs/dbraw/zinc/89/70/23/1192897023.db2.gz ZRTORZMWMKISBK-USTZCAOPSA-N 2 1 392.548 0.259 20 0 GCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410806022 1192904649 /nfs/dbraw/zinc/90/46/49/1192904649.db2.gz LWWWQYXCFQJWGQ-SJORKVTESA-N 2 1 382.549 0.480 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410806022 1192904650 /nfs/dbraw/zinc/90/46/50/1192904650.db2.gz LWWWQYXCFQJWGQ-SJORKVTESA-N 2 1 382.549 0.480 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410806022 1192904652 /nfs/dbraw/zinc/90/46/52/1192904652.db2.gz LWWWQYXCFQJWGQ-SJORKVTESA-N 2 1 382.549 0.480 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000410806022 1192904653 /nfs/dbraw/zinc/90/46/53/1192904653.db2.gz LWWWQYXCFQJWGQ-SJORKVTESA-N 2 1 382.549 0.480 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000410945736 1192919141 /nfs/dbraw/zinc/91/91/41/1192919141.db2.gz NUMMRYIOYHSUPS-SJORKVTESA-N 2 1 380.533 0.641 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCC([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000419221145 1192922339 /nfs/dbraw/zinc/92/23/39/1192922339.db2.gz VTNULNGVOHPPKA-IYBDPMFKSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274515107 1184083032 /nfs/dbraw/zinc/08/30/32/1184083032.db2.gz MFPJTPAVTORHFL-QGZVFWFLSA-N 2 1 389.544 0.871 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694026 1184092639 /nfs/dbraw/zinc/09/26/39/1184092639.db2.gz VEIFMNPWKWLATK-NSISKUIASA-N 2 1 399.539 0.954 20 0 GCADMP C[C@H](C(=O)NCCc1ccccc1)[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000579694026 1184092643 /nfs/dbraw/zinc/09/26/43/1184092643.db2.gz VEIFMNPWKWLATK-NSISKUIASA-N 2 1 399.539 0.954 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000579716508 1184104110 /nfs/dbraw/zinc/10/41/10/1184104110.db2.gz PFLSVSAKACFIGU-ICSRJNTNSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000579716508 1184104120 /nfs/dbraw/zinc/10/41/20/1184104120.db2.gz PFLSVSAKACFIGU-ICSRJNTNSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000579716508 1184104123 /nfs/dbraw/zinc/10/41/23/1184104123.db2.gz PFLSVSAKACFIGU-ICSRJNTNSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000579807928 1184225111 /nfs/dbraw/zinc/22/51/11/1184225111.db2.gz WLECLGKVSFEYKH-SFHVURJKSA-N 2 1 394.560 0.890 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000579838042 1184311781 /nfs/dbraw/zinc/31/17/81/1184311781.db2.gz FBRWDQOLHWBNAI-INIZCTEOSA-N 2 1 399.499 0.967 20 0 GCADMP O=C1CCc2cc(OC[C@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)ccc2N1 ZINC000579837658 1184312516 /nfs/dbraw/zinc/31/25/16/1184312516.db2.gz LFZSXLWYXJYADB-IAGOWNOFSA-N 2 1 377.485 0.747 20 0 GCADMP O=C1CCc2cc(OC[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)ccc2N1 ZINC000579837659 1184312826 /nfs/dbraw/zinc/31/28/26/1184312826.db2.gz LFZSXLWYXJYADB-SJORKVTESA-N 2 1 377.485 0.747 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000579866796 1184408009 /nfs/dbraw/zinc/40/80/09/1184408009.db2.gz HMPFONSSINYFMB-SJLPKXTDSA-N 2 1 390.528 0.885 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000671950342 1184465341 /nfs/dbraw/zinc/46/53/41/1184465341.db2.gz BTNNNMSMHFSBMB-UHFFFAOYSA-N 2 1 393.576 0.604 20 0 GCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCNS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000471224012 1184470189 /nfs/dbraw/zinc/47/01/89/1184470189.db2.gz LLJBOPQICANHGY-UHFFFAOYSA-N 2 1 396.557 0.496 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)cn2)CC1 ZINC000275142242 1184531303 /nfs/dbraw/zinc/53/13/03/1184531303.db2.gz OTRODQSXRMAHLA-AWEZNQCLSA-N 2 1 386.422 0.729 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC[C@H](C(=O)NCC(F)(F)F)C3)cn2)CC1 ZINC000275142242 1184531307 /nfs/dbraw/zinc/53/13/07/1184531307.db2.gz OTRODQSXRMAHLA-AWEZNQCLSA-N 2 1 386.422 0.729 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)c1cccc(O)c1 ZINC000275266393 1184570272 /nfs/dbraw/zinc/57/02/72/1184570272.db2.gz IVMDLMDBZXWYLJ-KRWDZBQOSA-N 2 1 376.501 0.997 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000275457591 1184675655 /nfs/dbraw/zinc/67/56/55/1184675655.db2.gz URWZERHCHDIUPQ-KRWDZBQOSA-N 2 1 388.512 0.910 20 0 GCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2O)CC1 ZINC000970269698 1184768125 /nfs/dbraw/zinc/76/81/25/1184768125.db2.gz FWDCPSVUVDMDNR-DDBAPUKQSA-N 2 1 380.533 0.135 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642744006 1184853000 /nfs/dbraw/zinc/85/30/00/1184853000.db2.gz PKXURJRAPPTKKQ-QZTJIDSGSA-N 2 1 387.528 0.572 20 0 GCADMP C[NH+](C)C1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000275649112 1184857246 /nfs/dbraw/zinc/85/72/46/1184857246.db2.gz SYSZBYVXYXARTM-UHFFFAOYSA-N 2 1 375.521 0.772 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744829 1184858629 /nfs/dbraw/zinc/85/86/29/1184858629.db2.gz CLZUGHMAKFYCMT-KANFNMMFSA-N 2 1 388.512 0.778 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744829 1184858633 /nfs/dbraw/zinc/85/86/33/1184858633.db2.gz CLZUGHMAKFYCMT-KANFNMMFSA-N 2 1 388.512 0.778 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC1 ZINC000656086534 1185023603 /nfs/dbraw/zinc/02/36/03/1185023603.db2.gz BBPDEUQZMITHMP-UHFFFAOYSA-N 2 1 383.581 0.661 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000580120071 1185071138 /nfs/dbraw/zinc/07/11/38/1185071138.db2.gz QKLLUGRUIYDIAQ-SFHVURJKSA-N 2 1 382.549 0.791 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC1 ZINC000580120071 1185071144 /nfs/dbraw/zinc/07/11/44/1185071144.db2.gz QKLLUGRUIYDIAQ-SFHVURJKSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)CCC(F)(F)F ZINC000580122514 1185071897 /nfs/dbraw/zinc/07/18/97/1185071897.db2.gz CJQPFBQZXVLADO-ZIAGYGMSSA-N 2 1 378.439 0.930 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)CCC(F)(F)F ZINC000580122514 1185071903 /nfs/dbraw/zinc/07/19/03/1185071903.db2.gz CJQPFBQZXVLADO-ZIAGYGMSSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)CCC(F)(F)F ZINC000580122514 1185071915 /nfs/dbraw/zinc/07/19/15/1185071915.db2.gz CJQPFBQZXVLADO-ZIAGYGMSSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)CCC(F)(F)F ZINC000580122514 1185071928 /nfs/dbraw/zinc/07/19/28/1185071928.db2.gz CJQPFBQZXVLADO-ZIAGYGMSSA-N 2 1 378.439 0.930 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000580302525 1185145056 /nfs/dbraw/zinc/14/50/56/1185145056.db2.gz YXIAEPIBVIHASE-KURKYZTESA-N 2 1 392.544 0.546 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000076947864 1185162347 /nfs/dbraw/zinc/16/23/47/1185162347.db2.gz GANJWFANSRGPAD-UHFFFAOYSA-N 2 1 381.565 0.958 20 0 GCADMP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000275832499 1185168955 /nfs/dbraw/zinc/16/89/55/1185168955.db2.gz DOGIRIYAQRJUNZ-INIZCTEOSA-N 2 1 392.500 0.761 20 0 GCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000580445357 1185233607 /nfs/dbraw/zinc/23/36/07/1185233607.db2.gz UVRROIAHXHDCGY-CVEARBPZSA-N 2 1 391.516 0.493 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000413400790 1185244390 /nfs/dbraw/zinc/24/43/90/1185244390.db2.gz KTLWJABVRQKLKI-UHFFFAOYSA-N 2 1 385.553 0.001 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000580477455 1185245981 /nfs/dbraw/zinc/24/59/81/1185245981.db2.gz OVWHTZRMRRNNPO-MJGOQNOKSA-N 2 1 390.528 0.850 20 0 GCADMP Cc1ccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1S(N)(=O)=O ZINC000580565494 1185277146 /nfs/dbraw/zinc/27/71/46/1185277146.db2.gz RANWHANKNAXIGC-UHFFFAOYSA-N 2 1 384.502 0.411 20 0 GCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000580577912 1185279351 /nfs/dbraw/zinc/27/93/51/1185279351.db2.gz CTUIGNUGWJJCJB-LJQANCHMSA-N 2 1 395.592 0.899 20 0 GCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000580577912 1185279353 /nfs/dbraw/zinc/27/93/53/1185279353.db2.gz CTUIGNUGWJJCJB-LJQANCHMSA-N 2 1 395.592 0.899 20 0 GCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000580577912 1185279357 /nfs/dbraw/zinc/27/93/57/1185279357.db2.gz CTUIGNUGWJJCJB-LJQANCHMSA-N 2 1 395.592 0.899 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000580640854 1185295815 /nfs/dbraw/zinc/29/58/15/1185295815.db2.gz GGPUUCXEVXMVCQ-MRXNPFEDSA-N 2 1 380.533 0.546 20 0 GCADMP O=c1n(CCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nc2n1CCCC2 ZINC000634700250 1185307179 /nfs/dbraw/zinc/30/71/79/1185307179.db2.gz WGHLBOXMNCYDKV-OAQYLSRUSA-N 2 1 385.512 0.998 20 0 GCADMP O=c1n(CCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)nc2n1CCCC2 ZINC000634700250 1185307190 /nfs/dbraw/zinc/30/71/90/1185307190.db2.gz WGHLBOXMNCYDKV-OAQYLSRUSA-N 2 1 385.512 0.998 20 0 GCADMP COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000580722841 1185315550 /nfs/dbraw/zinc/31/55/50/1185315550.db2.gz HMFOPKADOOWIMP-PMACEKPBSA-N 2 1 384.565 0.192 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000580722841 1185315556 /nfs/dbraw/zinc/31/55/56/1185315556.db2.gz HMFOPKADOOWIMP-PMACEKPBSA-N 2 1 384.565 0.192 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000580722841 1185315563 /nfs/dbraw/zinc/31/55/63/1185315563.db2.gz HMFOPKADOOWIMP-PMACEKPBSA-N 2 1 384.565 0.192 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000580737291 1185320177 /nfs/dbraw/zinc/32/01/77/1185320177.db2.gz PMCAXUQLCVLVFL-RTBURBONSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943572 1185329421 /nfs/dbraw/zinc/32/94/21/1185329421.db2.gz DNWAEMCDTANCGJ-PBHICJAKSA-N 2 1 389.500 0.924 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943572 1185329425 /nfs/dbraw/zinc/32/94/25/1185329425.db2.gz DNWAEMCDTANCGJ-PBHICJAKSA-N 2 1 389.500 0.924 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656300668 1185368374 /nfs/dbraw/zinc/36/83/74/1185368374.db2.gz SHHXXVFJSJPPKN-QRVBRYPASA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656300668 1185368377 /nfs/dbraw/zinc/36/83/77/1185368377.db2.gz SHHXXVFJSJPPKN-QRVBRYPASA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656300668 1185368382 /nfs/dbraw/zinc/36/83/82/1185368382.db2.gz SHHXXVFJSJPPKN-QRVBRYPASA-N 2 1 393.576 0.509 20 0 GCADMP O=C(CC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000580894505 1185407505 /nfs/dbraw/zinc/40/75/05/1185407505.db2.gz DFIFEFMHKADNRT-HXUWFJFHSA-N 2 1 389.519 0.844 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000580906405 1185411331 /nfs/dbraw/zinc/41/13/31/1185411331.db2.gz UDCRFEPYYYRDJR-GOSISDBHSA-N 2 1 381.565 0.364 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656330542 1185427986 /nfs/dbraw/zinc/42/79/86/1185427986.db2.gz PSQZORBZLYFYDF-QXAKKESOSA-N 2 1 392.544 0.737 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337537 1185434248 /nfs/dbraw/zinc/43/42/48/1185434248.db2.gz UNMGXNQVTGSWPL-NCOADZHNSA-N 2 1 382.549 0.837 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000656353347 1185447461 /nfs/dbraw/zinc/44/74/61/1185447461.db2.gz AJIYOHUFHBLRPP-MSOLQXFVSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000656353347 1185447464 /nfs/dbraw/zinc/44/74/64/1185447464.db2.gz AJIYOHUFHBLRPP-MSOLQXFVSA-N 2 1 378.517 0.443 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354120 1185448124 /nfs/dbraw/zinc/44/81/24/1185448124.db2.gz FCWPMHWQZFYUCU-BZSNNMDCSA-N 2 1 380.533 0.689 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000656355629 1185456100 /nfs/dbraw/zinc/45/61/00/1185456100.db2.gz MDTJAJNWTLATDG-KZNAEPCWSA-N 2 1 378.517 0.300 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000656355629 1185456104 /nfs/dbraw/zinc/45/61/04/1185456104.db2.gz MDTJAJNWTLATDG-KZNAEPCWSA-N 2 1 378.517 0.300 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656356346 1185456697 /nfs/dbraw/zinc/45/66/97/1185456697.db2.gz SMRJSFOBGJDWFN-FHWLQOOXSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)CC2)C1 ZINC000656356346 1185456700 /nfs/dbraw/zinc/45/67/00/1185456700.db2.gz SMRJSFOBGJDWFN-FHWLQOOXSA-N 2 1 391.560 0.358 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356880 1185457107 /nfs/dbraw/zinc/45/71/07/1185457107.db2.gz HUZHPNAHEBGSSR-OTWHNJEPSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656356875 1185457373 /nfs/dbraw/zinc/45/73/73/1185457373.db2.gz HUZHPNAHEBGSSR-CEXWTWQISA-N 2 1 392.544 0.690 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)NCC2(O)CC[NH+](C)CC2)c2cccs2)CC1 ZINC000580982474 1185459758 /nfs/dbraw/zinc/45/97/58/1185459758.db2.gz SYYGIACGISXUAD-INIZCTEOSA-N 2 1 395.573 0.793 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656358550 1185460067 /nfs/dbraw/zinc/46/00/67/1185460067.db2.gz RXQDXCRNBZHTOO-IAGOWNOFSA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656358550 1185460073 /nfs/dbraw/zinc/46/00/73/1185460073.db2.gz RXQDXCRNBZHTOO-IAGOWNOFSA-N 2 1 380.533 0.689 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000471637542 1185472280 /nfs/dbraw/zinc/47/22/80/1185472280.db2.gz XGHIPFOCDWQDGA-MOPGFXCFSA-N 2 1 378.517 0.747 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@@H]21 ZINC000581078036 1185487581 /nfs/dbraw/zinc/48/75/81/1185487581.db2.gz RIFQUKZIAUYOMF-LULLPPNCSA-N 2 1 392.544 0.423 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000581082090 1185490589 /nfs/dbraw/zinc/49/05/89/1185490589.db2.gz HFLWHXTUDYRFDN-RYQLBKOJSA-N 2 1 379.549 0.260 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419449714 1185508582 /nfs/dbraw/zinc/50/85/82/1185508582.db2.gz KHZBPDPKYOSICQ-KZNAEPCWSA-N 2 1 387.528 0.699 20 0 GCADMP CC(C)Nc1nc(N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)nc(NCCO)[nH+]1 ZINC000581208583 1185530532 /nfs/dbraw/zinc/53/05/32/1185530532.db2.gz UGDOWNAJUAQWIK-JYJNAYRXSA-N 2 1 377.537 0.782 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073533 1185547385 /nfs/dbraw/zinc/54/73/85/1185547385.db2.gz SVRNXCDOXGNEEA-CQSZACIVSA-N 2 1 378.477 0.298 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(CCOC)n1 ZINC000276074966 1185548476 /nfs/dbraw/zinc/54/84/76/1185548476.db2.gz SYNWASKJYOQKML-MRXNPFEDSA-N 2 1 394.520 0.343 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000581245305 1185554473 /nfs/dbraw/zinc/55/44/73/1185554473.db2.gz MPFFRUIHHKSQHY-SJORKVTESA-N 2 1 378.517 0.014 20 0 GCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581254587 1185557350 /nfs/dbraw/zinc/55/73/50/1185557350.db2.gz NZYROMSZTWKXQH-BBWFWOEESA-N 2 1 379.549 0.105 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(C(=O)COC4CC[NH+](C)CC4)C[C@H]32)CC[N@H+]1C ZINC001021801828 1185558282 /nfs/dbraw/zinc/55/82/82/1185558282.db2.gz OYVYKRCHNSOLRE-UKBAYJJMSA-N 2 1 392.544 0.497 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000581324613 1185595531 /nfs/dbraw/zinc/59/55/31/1185595531.db2.gz LAZILCHBMOUBMF-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000581324613 1185595535 /nfs/dbraw/zinc/59/55/35/1185595535.db2.gz LAZILCHBMOUBMF-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000581324613 1185595541 /nfs/dbraw/zinc/59/55/41/1185595541.db2.gz LAZILCHBMOUBMF-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559581 1185597164 /nfs/dbraw/zinc/59/71/64/1185597164.db2.gz DNOIALIBOOEHEL-WMLDXEAASA-N 2 1 384.546 0.686 20 0 GCADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559581 1185597172 /nfs/dbraw/zinc/59/71/72/1185597172.db2.gz DNOIALIBOOEHEL-WMLDXEAASA-N 2 1 384.546 0.686 20 0 GCADMP CCOC1CC(CCNC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)C1 ZINC000558428174 1185608409 /nfs/dbraw/zinc/60/84/09/1185608409.db2.gz SRVMEITYSARZGT-UHFFFAOYSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)CCOCCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000471645806 1185623117 /nfs/dbraw/zinc/62/31/17/1185623117.db2.gz ZMSZFPXROPHMNG-UHFFFAOYSA-N 2 1 391.516 0.452 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000581419028 1185665821 /nfs/dbraw/zinc/66/58/21/1185665821.db2.gz XOUYFHRUVMIQGU-OKZBNKHCSA-N 2 1 395.548 0.659 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418842 1185665895 /nfs/dbraw/zinc/66/58/95/1185665895.db2.gz FFGSZYIBAXKWAF-QAPCUYQASA-N 2 1 378.473 0.647 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418842 1185665902 /nfs/dbraw/zinc/66/59/02/1185665902.db2.gz FFGSZYIBAXKWAF-QAPCUYQASA-N 2 1 378.473 0.647 20 0 GCADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430601647 1185685214 /nfs/dbraw/zinc/68/52/14/1185685214.db2.gz DXWTYDFXJSPTPU-OAHLLOKOSA-N 2 1 380.464 0.450 20 0 GCADMP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430604607 1185696060 /nfs/dbraw/zinc/69/60/60/1185696060.db2.gz OCOSWUXQOOSELI-HNNXBMFYSA-N 2 1 375.473 0.114 20 0 GCADMP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430604607 1185696064 /nfs/dbraw/zinc/69/60/64/1185696064.db2.gz OCOSWUXQOOSELI-HNNXBMFYSA-N 2 1 375.473 0.114 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000430610999 1185752374 /nfs/dbraw/zinc/75/23/74/1185752374.db2.gz NBNOWRJVQSLTPA-FUHWJXTLSA-N 2 1 386.496 0.770 20 0 GCADMP CN(C)c1nc(C[N@H+](C)[C@H]2CCN(C(=O)NC[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350445 1185755825 /nfs/dbraw/zinc/75/58/25/1185755825.db2.gz HRQVFYGOFIBWSO-CVEARBPZSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[N@@H+](C)[C@H]2CCN(C(=O)NC[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350445 1185755831 /nfs/dbraw/zinc/75/58/31/1185755831.db2.gz HRQVFYGOFIBWSO-CVEARBPZSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc(=O)[nH]1 ZINC000276350445 1185755836 /nfs/dbraw/zinc/75/58/36/1185755836.db2.gz HRQVFYGOFIBWSO-CVEARBPZSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)C2)cc(=O)[nH]1 ZINC000276350445 1185755840 /nfs/dbraw/zinc/75/58/40/1185755840.db2.gz HRQVFYGOFIBWSO-CVEARBPZSA-N 2 1 391.520 0.558 20 0 GCADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611706 1185758437 /nfs/dbraw/zinc/75/84/37/1185758437.db2.gz PPSGYXNNZZIGIA-UONOGXRCSA-N 2 1 378.473 0.818 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611932 1185758625 /nfs/dbraw/zinc/75/86/25/1185758625.db2.gz QDFVJIOMOQEZON-HZPDHXFCSA-N 2 1 376.505 0.935 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611932 1185758633 /nfs/dbraw/zinc/75/86/33/1185758633.db2.gz QDFVJIOMOQEZON-HZPDHXFCSA-N 2 1 376.505 0.935 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000533817472 1185767075 /nfs/dbraw/zinc/76/70/75/1185767075.db2.gz UKSOQVKAUDIATE-KNCCTNLNSA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC001022017476 1185771985 /nfs/dbraw/zinc/77/19/85/1185771985.db2.gz KIQSEKNBKHUODM-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC001022017476 1185771990 /nfs/dbraw/zinc/77/19/90/1185771990.db2.gz KIQSEKNBKHUODM-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC001022017476 1185771992 /nfs/dbraw/zinc/77/19/92/1185771992.db2.gz KIQSEKNBKHUODM-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)C[C@H]32)O1 ZINC001022017476 1185772000 /nfs/dbraw/zinc/77/20/00/1185772000.db2.gz KIQSEKNBKHUODM-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC000276381326 1185781440 /nfs/dbraw/zinc/78/14/40/1185781440.db2.gz OHBJFYQTGKVCCO-SFHVURJKSA-N 2 1 375.517 0.829 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000430619678 1185793889 /nfs/dbraw/zinc/79/38/89/1185793889.db2.gz AHIRSWTVZFIWSS-MRXNPFEDSA-N 2 1 388.516 0.797 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000430619678 1185793894 /nfs/dbraw/zinc/79/38/94/1185793894.db2.gz AHIRSWTVZFIWSS-MRXNPFEDSA-N 2 1 388.516 0.797 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000430619677 1185794789 /nfs/dbraw/zinc/79/47/89/1185794789.db2.gz AHIRSWTVZFIWSS-INIZCTEOSA-N 2 1 388.516 0.797 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)nc2)C1 ZINC000430619677 1185794793 /nfs/dbraw/zinc/79/47/93/1185794793.db2.gz AHIRSWTVZFIWSS-INIZCTEOSA-N 2 1 388.516 0.797 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000430622413 1185802645 /nfs/dbraw/zinc/80/26/45/1185802645.db2.gz FVOQUIXTSWAGRY-MRXNPFEDSA-N 2 1 392.475 0.465 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000430625363 1185808984 /nfs/dbraw/zinc/80/89/84/1185808984.db2.gz KKUIDMIDGBZAQU-SQNIBIBYSA-N 2 1 378.517 0.300 20 0 GCADMP CN(Cc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430629556 1185817165 /nfs/dbraw/zinc/81/71/65/1185817165.db2.gz OPWVBZKOGXJPNT-QGZVFWFLSA-N 2 1 376.476 0.928 20 0 GCADMP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430645257 1185858991 /nfs/dbraw/zinc/85/89/91/1185858991.db2.gz ATYBUVSLRTYXET-GOSISDBHSA-N 2 1 388.512 0.845 20 0 GCADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000581716501 1185863573 /nfs/dbraw/zinc/86/35/73/1185863573.db2.gz XLPORBRHVSVVOC-WMLDXEAASA-N 2 1 394.903 0.698 20 0 GCADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871692 /nfs/dbraw/zinc/87/16/92/1185871692.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871700 /nfs/dbraw/zinc/87/17/00/1185871700.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@H](C)CN1CCO ZINC000581734416 1185871707 /nfs/dbraw/zinc/87/17/07/1185871707.db2.gz KSRVESPIMXGLKG-FXELSEDVSA-N 2 1 384.609 0.931 20 0 GCADMP COCCC1(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000891481745 1185887004 /nfs/dbraw/zinc/88/70/04/1185887004.db2.gz GKKFNBXSYABJPM-INIZCTEOSA-N 2 1 383.537 0.387 20 0 GCADMP COc1ccc(C[C@@](C)(CO)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000933444286 1185895469 /nfs/dbraw/zinc/89/54/69/1185895469.db2.gz IMDWMZWCOIZYJP-FQEVSTJZSA-N 2 1 379.501 0.751 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000581819259 1185900246 /nfs/dbraw/zinc/90/02/46/1185900246.db2.gz MFYYFNAFJVEJGA-LJQANCHMSA-N 2 1 387.528 0.309 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519414 1185903360 /nfs/dbraw/zinc/90/33/60/1185903360.db2.gz XSOJANOQMQNVIZ-VQHPVUNQSA-N 2 1 379.505 0.683 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000891538190 1185909554 /nfs/dbraw/zinc/90/95/54/1185909554.db2.gz SLCMLVMTIHOXAI-KRWDZBQOSA-N 2 1 375.517 0.798 20 0 GCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891566286 1185921021 /nfs/dbraw/zinc/92/10/21/1185921021.db2.gz TZOXBXXSFGOBNU-UXHICEINSA-N 2 1 387.528 0.407 20 0 GCADMP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665369 1185927802 /nfs/dbraw/zinc/92/78/02/1185927802.db2.gz MQBBUFZYKLKVLB-GDBMZVCRSA-N 2 1 387.484 0.256 20 0 GCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000419905323 1185978175 /nfs/dbraw/zinc/97/81/75/1185978175.db2.gz YUGSXDPBMVJQQN-KBPBESRZSA-N 2 1 394.438 0.486 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000419905329 1185978182 /nfs/dbraw/zinc/97/81/82/1185978182.db2.gz YUGSXDPBMVJQQN-ZIAGYGMSSA-N 2 1 394.438 0.486 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000430695610 1185992521 /nfs/dbraw/zinc/99/25/21/1185992521.db2.gz STDZWIPZKOZQRT-SFHVURJKSA-N 2 1 397.483 0.905 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000430695610 1185992526 /nfs/dbraw/zinc/99/25/26/1185992526.db2.gz STDZWIPZKOZQRT-SFHVURJKSA-N 2 1 397.483 0.905 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581933919 1185994629 /nfs/dbraw/zinc/99/46/29/1185994629.db2.gz HRHYJICMNYONJQ-SJLPKXTDSA-N 2 1 390.528 0.835 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581933919 1185994634 /nfs/dbraw/zinc/99/46/34/1185994634.db2.gz HRHYJICMNYONJQ-SJLPKXTDSA-N 2 1 390.528 0.835 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000581934063 1185995409 /nfs/dbraw/zinc/99/54/09/1185995409.db2.gz FMRDXXOTZPUOGW-HUUCEWRRSA-N 2 1 379.530 0.006 20 0 GCADMP C[C@@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891761518 1186014652 /nfs/dbraw/zinc/01/46/52/1186014652.db2.gz FFLVXWVFRYIERY-QGZVFWFLSA-N 2 1 375.521 0.630 20 0 GCADMP C[C@@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891761518 1186014656 /nfs/dbraw/zinc/01/46/56/1186014656.db2.gz FFLVXWVFRYIERY-QGZVFWFLSA-N 2 1 375.521 0.630 20 0 GCADMP C[N@@H+]1C[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000891761516 1186015026 /nfs/dbraw/zinc/01/50/26/1186015026.db2.gz FFGVTQALVQUWMU-XLIONFOSSA-N 2 1 387.532 0.582 20 0 GCADMP C[N@H+]1C[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@]2(C)C1 ZINC000891761516 1186015030 /nfs/dbraw/zinc/01/50/30/1186015030.db2.gz FFGVTQALVQUWMU-XLIONFOSSA-N 2 1 387.532 0.582 20 0 GCADMP CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000891762002 1186015175 /nfs/dbraw/zinc/01/51/75/1186015175.db2.gz KRDCGFJWUYQQRK-KRWDZBQOSA-N 2 1 375.521 0.724 20 0 GCADMP CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[N@@H+](C)C1 ZINC000891762002 1186015184 /nfs/dbraw/zinc/01/51/84/1186015184.db2.gz KRDCGFJWUYQQRK-KRWDZBQOSA-N 2 1 375.521 0.724 20 0 GCADMP C[C@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891763261 1186016801 /nfs/dbraw/zinc/01/68/01/1186016801.db2.gz YCAJWXWKUWXJKF-KRWDZBQOSA-N 2 1 375.521 0.772 20 0 GCADMP C[C@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891763261 1186016808 /nfs/dbraw/zinc/01/68/08/1186016808.db2.gz YCAJWXWKUWXJKF-KRWDZBQOSA-N 2 1 375.521 0.772 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000581971193 1186016954 /nfs/dbraw/zinc/01/69/54/1186016954.db2.gz LYRYUIXQZGHKIR-PKOBYXMFSA-N 2 1 392.544 0.690 20 0 GCADMP COCC[C@]1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000430761259 1186026838 /nfs/dbraw/zinc/02/68/38/1186026838.db2.gz UQWFOJUNCXKQRO-OAQYLSRUSA-N 2 1 388.512 0.707 20 0 GCADMP C[N@H+](CCNC(=O)C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000430791871 1186031549 /nfs/dbraw/zinc/03/15/49/1186031549.db2.gz FXQNAQUHJCYPDS-IBGZPJMESA-N 2 1 388.512 0.462 20 0 GCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000430791871 1186031555 /nfs/dbraw/zinc/03/15/55/1186031555.db2.gz FXQNAQUHJCYPDS-IBGZPJMESA-N 2 1 388.512 0.462 20 0 GCADMP CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)CC[NH3+])c1 ZINC000430834492 1186036279 /nfs/dbraw/zinc/03/62/79/1186036279.db2.gz XNGONAOKKLQPSJ-UHFFFAOYSA-N 2 1 397.545 0.756 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000548404440 1186061345 /nfs/dbraw/zinc/06/13/45/1186061345.db2.gz MAFZYJAXNFVMSB-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000548404440 1186061348 /nfs/dbraw/zinc/06/13/48/1186061348.db2.gz MAFZYJAXNFVMSB-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CC[C@H](C[NH3+])C3)CC2)cc1OC ZINC000430959987 1186069460 /nfs/dbraw/zinc/06/94/60/1186069460.db2.gz GAZLSKTVWQCMPL-QGZVFWFLSA-N 2 1 390.528 0.937 20 0 GCADMP COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CC[C@H](C[NH3+])C3)CC2)cc1OC ZINC000430959987 1186069466 /nfs/dbraw/zinc/06/94/66/1186069466.db2.gz GAZLSKTVWQCMPL-QGZVFWFLSA-N 2 1 390.528 0.937 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000933847424 1186108980 /nfs/dbraw/zinc/10/89/80/1186108980.db2.gz GRIBRIHZLLJUAC-ROUUACIJSA-N 2 1 393.576 0.319 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000933846816 1186109376 /nfs/dbraw/zinc/10/93/76/1186109376.db2.gz MUHJTTKBQTZXDO-UHFFFAOYSA-N 2 1 382.549 0.651 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@H+]1CCC(C)(C)C1 ZINC000933846816 1186109378 /nfs/dbraw/zinc/10/93/78/1186109378.db2.gz MUHJTTKBQTZXDO-UHFFFAOYSA-N 2 1 382.549 0.651 20 0 GCADMP CC1(C)CC[N@@H+](CCNC(=O)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000933852477 1186111166 /nfs/dbraw/zinc/11/11/66/1186111166.db2.gz SKPASPUJYSQPGW-UHFFFAOYSA-N 2 1 394.560 0.842 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276840317 1186115444 /nfs/dbraw/zinc/11/54/44/1186115444.db2.gz IRNHMDLHMNNNMS-RDJZCZTQSA-N 2 1 376.505 0.480 20 0 GCADMP COCCC1(NC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC[NH2+]CC1 ZINC000891952213 1186194667 /nfs/dbraw/zinc/19/46/67/1186194667.db2.gz FJVPONIDHFGWBU-UHFFFAOYSA-N 2 1 384.521 0.326 20 0 GCADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891953099 1186197565 /nfs/dbraw/zinc/19/75/65/1186197565.db2.gz NNCRUGZGTCLOBA-IBGZPJMESA-N 2 1 388.512 0.882 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458239237 1186218154 /nfs/dbraw/zinc/21/81/54/1186218154.db2.gz ZBBPPBOJPJJHCD-IAGOWNOFSA-N 2 1 383.537 0.075 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458229853 1186219601 /nfs/dbraw/zinc/21/96/01/1186219601.db2.gz QUSLTXCIKZQWND-IAGOWNOFSA-N 2 1 383.537 0.075 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458229853 1186219608 /nfs/dbraw/zinc/21/96/08/1186219608.db2.gz QUSLTXCIKZQWND-IAGOWNOFSA-N 2 1 383.537 0.075 20 0 GCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]32)CC1 ZINC001022516473 1186263694 /nfs/dbraw/zinc/26/36/94/1186263694.db2.gz RKFJXKGVZTXIPX-FCGDIQPGSA-N 2 1 392.544 0.497 20 0 GCADMP CC1CC[NH+](CC(=O)N2CC[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]32)CC1 ZINC001022516473 1186263699 /nfs/dbraw/zinc/26/36/99/1186263699.db2.gz RKFJXKGVZTXIPX-FCGDIQPGSA-N 2 1 392.544 0.497 20 0 GCADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277385555 1186357311 /nfs/dbraw/zinc/35/73/11/1186357311.db2.gz YNIQJQWAGIDSIL-KRWDZBQOSA-N 2 1 396.557 0.799 20 0 GCADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000105070219 1186357823 /nfs/dbraw/zinc/35/78/23/1186357823.db2.gz CEFGDVGKINGXKY-RTBURBONSA-N 2 1 381.565 0.909 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C(F)(F)F ZINC000892132665 1186364149 /nfs/dbraw/zinc/36/41/49/1186364149.db2.gz QXLULFXXRFERPA-XSCHDIRWSA-N 2 1 377.455 0.981 20 0 GCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)nn(C)c3N3CCOCC3)C2)CC1 ZINC000119618077 1186379612 /nfs/dbraw/zinc/37/96/12/1186379612.db2.gz BZNOUHYYPYWPMM-GOSISDBHSA-N 2 1 376.549 0.777 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934260845 1186388050 /nfs/dbraw/zinc/38/80/50/1186388050.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934260845 1186388054 /nfs/dbraw/zinc/38/80/54/1186388054.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CCN1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934260845 1186388061 /nfs/dbraw/zinc/38/80/61/1186388061.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000934260845 1186388070 /nfs/dbraw/zinc/38/80/70/1186388070.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000934260845 1186388078 /nfs/dbraw/zinc/38/80/78/1186388078.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934260845 1186388085 /nfs/dbraw/zinc/38/80/85/1186388085.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 1 394.604 0.827 20 0 GCADMP C[C@H](CC[NH+]1CC[C@@H]2[C@@H]1CCCN2CCO)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934260845 1186388092 /nfs/dbraw/zinc/38/80/92/1186388092.db2.gz BYBIVWJZEVZJDN-YHINDDMVSA-N 2 1 394.604 0.827 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000892168407 1186393067 /nfs/dbraw/zinc/39/30/67/1186393067.db2.gz JBGWRZHNOVXTLC-MOPGFXCFSA-N 2 1 376.501 0.874 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000892168407 1186393073 /nfs/dbraw/zinc/39/30/73/1186393073.db2.gz JBGWRZHNOVXTLC-MOPGFXCFSA-N 2 1 376.501 0.874 20 0 GCADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)c2)CC1 ZINC000892217131 1186455940 /nfs/dbraw/zinc/45/59/40/1186455940.db2.gz CCEVYJRWMBIXMO-UHFFFAOYSA-N 2 1 391.516 0.196 20 0 GCADMP CC1CC[NH+](CCc2cccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)c2)CC1 ZINC000892219538 1186462834 /nfs/dbraw/zinc/46/28/34/1186462834.db2.gz PMHXXBANNWNPEB-UHFFFAOYSA-N 2 1 390.528 0.940 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000582206790 1186464965 /nfs/dbraw/zinc/46/49/65/1186464965.db2.gz WBHRZCQYJBIECE-JKSUJKDBSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000582206788 1186465454 /nfs/dbraw/zinc/46/54/54/1186465454.db2.gz WBHRZCQYJBIECE-HOTGVXAUSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000559665576 1186466239 /nfs/dbraw/zinc/46/62/39/1186466239.db2.gz RVWBGVHXJIDVJC-WBVHZDCISA-N 2 1 376.501 0.842 20 0 GCADMP CN1CCN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000582230722 1186470215 /nfs/dbraw/zinc/47/02/15/1186470215.db2.gz XGHRNKDSQZOUMK-HXUWFJFHSA-N 2 1 388.560 0.479 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000582257563 1186476704 /nfs/dbraw/zinc/47/67/04/1186476704.db2.gz FWXDRCBDAOCKQM-ROUUACIJSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000582257563 1186476708 /nfs/dbraw/zinc/47/67/08/1186476708.db2.gz FWXDRCBDAOCKQM-ROUUACIJSA-N 2 1 382.549 0.698 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000582315903 1186492943 /nfs/dbraw/zinc/49/29/43/1186492943.db2.gz NNHITOURUSDOLL-RTBURBONSA-N 2 1 391.560 0.404 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000582374047 1186506730 /nfs/dbraw/zinc/50/67/30/1186506730.db2.gz XYGNVNDCKQUQDR-UHFFFAOYSA-N 2 1 394.560 0.987 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980445 1186564823 /nfs/dbraw/zinc/56/48/23/1186564823.db2.gz BZLHPUHJDWFVNM-UXHICEINSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980445 1186564828 /nfs/dbraw/zinc/56/48/28/1186564828.db2.gz BZLHPUHJDWFVNM-UXHICEINSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980445 1186564830 /nfs/dbraw/zinc/56/48/30/1186564830.db2.gz BZLHPUHJDWFVNM-UXHICEINSA-N 2 1 390.576 0.940 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c2cccs2)CC1 ZINC000642901833 1186588019 /nfs/dbraw/zinc/58/80/19/1186588019.db2.gz FHNVRBKZTGDSKM-JKSUJKDBSA-N 2 1 393.557 0.411 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000582680706 1186607770 /nfs/dbraw/zinc/60/77/70/1186607770.db2.gz LRECSKAJIOBUDS-ZWKOTPCHSA-N 2 1 379.549 0.073 20 0 GCADMP Cn1cc([C@@H]2C[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C[C@H]2CO)cn1 ZINC000277843390 1186632752 /nfs/dbraw/zinc/63/27/52/1186632752.db2.gz SHQYANANJJVHCF-SLFFLAALSA-N 2 1 385.512 0.847 20 0 GCADMP Cn1cc([C@@H]2C[N@@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C[C@H]2CO)cn1 ZINC000277843390 1186632757 /nfs/dbraw/zinc/63/27/57/1186632757.db2.gz SHQYANANJJVHCF-SLFFLAALSA-N 2 1 385.512 0.847 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000076458230 1186635934 /nfs/dbraw/zinc/63/59/34/1186635934.db2.gz RGIDUGGETVAAIU-BDXSIMOUSA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000076458230 1186635938 /nfs/dbraw/zinc/63/59/38/1186635938.db2.gz RGIDUGGETVAAIU-BDXSIMOUSA-N 2 1 382.549 0.824 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000582846284 1186709858 /nfs/dbraw/zinc/70/98/58/1186709858.db2.gz FNMDZFHTZOFGGR-RBUKOAKNSA-N 2 1 392.544 0.548 20 0 GCADMP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000582863933 1186716872 /nfs/dbraw/zinc/71/68/72/1186716872.db2.gz GXVPWWYNTZITLD-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000582863933 1186716874 /nfs/dbraw/zinc/71/68/74/1186716874.db2.gz GXVPWWYNTZITLD-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[N@@H+](CCO)C1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000161754053 1186732116 /nfs/dbraw/zinc/73/21/16/1186732116.db2.gz ZANMQYSYZFRHBQ-UHFFFAOYSA-N 2 1 390.532 0.432 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000582932674 1186733546 /nfs/dbraw/zinc/73/35/46/1186733546.db2.gz NIWAMDDWPNODEJ-SFHVURJKSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000582932674 1186733549 /nfs/dbraw/zinc/73/35/49/1186733549.db2.gz NIWAMDDWPNODEJ-SFHVURJKSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000121828943 1186744160 /nfs/dbraw/zinc/74/41/60/1186744160.db2.gz WIWVOFROYMQTSJ-NRFANRHFSA-N 2 1 391.560 0.806 20 0 GCADMP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000079269090 1186751837 /nfs/dbraw/zinc/75/18/37/1186751837.db2.gz HSOJTADVLLEGIG-KRWDZBQOSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000079269090 1186751838 /nfs/dbraw/zinc/75/18/38/1186751838.db2.gz HSOJTADVLLEGIG-KRWDZBQOSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000583041578 1186755165 /nfs/dbraw/zinc/75/51/65/1186755165.db2.gz IWVIZRNQFNASQU-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074642 1186763842 /nfs/dbraw/zinc/76/38/42/1186763842.db2.gz SZPGTESJCIIYLZ-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)[C@@H](C)C1 ZINC000685074642 1186763846 /nfs/dbraw/zinc/76/38/46/1186763846.db2.gz SZPGTESJCIIYLZ-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000583095960 1186769309 /nfs/dbraw/zinc/76/93/09/1186769309.db2.gz XAKMZKQUCHJCAE-GOEBONIOSA-N 2 1 386.431 0.773 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107570 1186771598 /nfs/dbraw/zinc/77/15/98/1186771598.db2.gz YTCOADXWYDSBGB-IBGZPJMESA-N 2 1 390.576 0.934 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685082827 1186775874 /nfs/dbraw/zinc/77/58/74/1186775874.db2.gz VZGMTFNIVPIFIK-AEFFLSMTSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685082827 1186775876 /nfs/dbraw/zinc/77/58/76/1186775876.db2.gz VZGMTFNIVPIFIK-AEFFLSMTSA-N 2 1 382.549 0.696 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000657741356 1186794000 /nfs/dbraw/zinc/79/40/00/1186794000.db2.gz JRNWDAVLYSYRDQ-KZNAEPCWSA-N 2 1 378.517 0.252 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000583222012 1186800268 /nfs/dbraw/zinc/80/02/68/1186800268.db2.gz SVDRJRZPRTZZAR-XDNAFOTISA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000583222012 1186800271 /nfs/dbraw/zinc/80/02/71/1186800271.db2.gz SVDRJRZPRTZZAR-XDNAFOTISA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000583222012 1186800275 /nfs/dbraw/zinc/80/02/75/1186800275.db2.gz SVDRJRZPRTZZAR-XDNAFOTISA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252547 1186809022 /nfs/dbraw/zinc/80/90/22/1186809022.db2.gz PPLFZJLUKNQMBN-IRXDYDNUSA-N 2 1 379.509 0.440 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252548 1186809115 /nfs/dbraw/zinc/80/91/15/1186809115.db2.gz PPLFZJLUKNQMBN-SJORKVTESA-N 2 1 379.509 0.440 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)CC1 ZINC000583313796 1186824369 /nfs/dbraw/zinc/82/43/69/1186824369.db2.gz KDDLMFZPLVUBKA-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000583313796 1186824372 /nfs/dbraw/zinc/82/43/72/1186824372.db2.gz KDDLMFZPLVUBKA-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000583313796 1186824374 /nfs/dbraw/zinc/82/43/74/1186824374.db2.gz KDDLMFZPLVUBKA-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000583514798 1186876331 /nfs/dbraw/zinc/87/63/31/1186876331.db2.gz RNDXKKRMJVFPMI-KRWDZBQOSA-N 2 1 381.565 0.319 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892342583 1186882387 /nfs/dbraw/zinc/88/23/87/1186882387.db2.gz KMDQFAXLXBPEMO-LJQANCHMSA-N 2 1 385.512 0.780 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583554942 1186883824 /nfs/dbraw/zinc/88/38/24/1186883824.db2.gz APUFFVGFCCFBPW-NEWSRXKRSA-N 2 1 388.512 0.603 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583554942 1186883827 /nfs/dbraw/zinc/88/38/27/1186883827.db2.gz APUFFVGFCCFBPW-NEWSRXKRSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCO1 ZINC000278315911 1186885213 /nfs/dbraw/zinc/88/52/13/1186885213.db2.gz IJPKXMXUCCBXCS-HNNXBMFYSA-N 2 1 386.456 0.823 20 0 GCADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158421 1186890958 /nfs/dbraw/zinc/89/09/58/1186890958.db2.gz UQKNNICZTZXOTC-LPHOPBHVSA-N 2 1 398.573 0.634 20 0 GCADMP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158421 1186890961 /nfs/dbraw/zinc/89/09/61/1186890961.db2.gz UQKNNICZTZXOTC-LPHOPBHVSA-N 2 1 398.573 0.634 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990829 1186895641 /nfs/dbraw/zinc/89/56/41/1186895641.db2.gz FXXIRGZUCMPJRO-MSOLQXFVSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)CC1=O ZINC000888990829 1186895645 /nfs/dbraw/zinc/89/56/45/1186895645.db2.gz FXXIRGZUCMPJRO-MSOLQXFVSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1=O ZINC000888990829 1186895648 /nfs/dbraw/zinc/89/56/48/1186895648.db2.gz FXXIRGZUCMPJRO-MSOLQXFVSA-N 2 1 379.549 0.025 20 0 GCADMP O=C(NCc1ccccc1C[NH+]1CC[C@@H](O)C1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458662825 1186930621 /nfs/dbraw/zinc/93/06/21/1186930621.db2.gz UTRRYTWTJICZHQ-VQTJNVASSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)NC[C@@H]1CCC[NH+]1CCCO ZINC000458662825 1186930626 /nfs/dbraw/zinc/93/06/26/1186930626.db2.gz UTRRYTWTJICZHQ-VQTJNVASSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CCC[NH+]1CCCO ZINC000458662825 1186930628 /nfs/dbraw/zinc/93/06/28/1186930628.db2.gz UTRRYTWTJICZHQ-VQTJNVASSA-N 2 1 390.528 0.899 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000583764196 1186934580 /nfs/dbraw/zinc/93/45/80/1186934580.db2.gz AFHXHMKXHVOMFC-XUVXKRRUSA-N 2 1 384.524 0.924 20 0 GCADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000583764196 1186934582 /nfs/dbraw/zinc/93/45/82/1186934582.db2.gz AFHXHMKXHVOMFC-XUVXKRRUSA-N 2 1 384.524 0.924 20 0 GCADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000583764196 1186934584 /nfs/dbraw/zinc/93/45/84/1186934584.db2.gz AFHXHMKXHVOMFC-XUVXKRRUSA-N 2 1 384.524 0.924 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000583775901 1186937089 /nfs/dbraw/zinc/93/70/89/1186937089.db2.gz IZYFMNWRFMCXDE-KRWDZBQOSA-N 2 1 382.549 0.840 20 0 GCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005913 1186978711 /nfs/dbraw/zinc/97/87/11/1186978711.db2.gz OSISKPVTTLEBLE-ZMSDIMECSA-N 2 1 391.541 0.914 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000584011130 1186980633 /nfs/dbraw/zinc/98/06/33/1186980633.db2.gz ZYXHPJMVRVEIMK-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000611806305 1187001338 /nfs/dbraw/zinc/00/13/38/1187001338.db2.gz HIYGHYAQVUSKPY-KURKYZTESA-N 2 1 390.532 0.991 20 0 GCADMP CC(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000611806305 1187001343 /nfs/dbraw/zinc/00/13/43/1187001343.db2.gz HIYGHYAQVUSKPY-KURKYZTESA-N 2 1 390.532 0.991 20 0 GCADMP CC(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000611806305 1187001347 /nfs/dbraw/zinc/00/13/47/1187001347.db2.gz HIYGHYAQVUSKPY-KURKYZTESA-N 2 1 390.532 0.991 20 0 GCADMP CC(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000611806305 1187001350 /nfs/dbraw/zinc/00/13/50/1187001350.db2.gz HIYGHYAQVUSKPY-KURKYZTESA-N 2 1 390.532 0.991 20 0 GCADMP CC(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000611806306 1187001549 /nfs/dbraw/zinc/00/15/49/1187001549.db2.gz HIYGHYAQVUSKPY-SQNIBIBYSA-N 2 1 390.532 0.991 20 0 GCADMP CC(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000611806306 1187001551 /nfs/dbraw/zinc/00/15/51/1187001551.db2.gz HIYGHYAQVUSKPY-SQNIBIBYSA-N 2 1 390.532 0.991 20 0 GCADMP CC(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000611806306 1187001555 /nfs/dbraw/zinc/00/15/55/1187001555.db2.gz HIYGHYAQVUSKPY-SQNIBIBYSA-N 2 1 390.532 0.991 20 0 GCADMP CC(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@@H]2C1 ZINC000611806306 1187001557 /nfs/dbraw/zinc/00/15/57/1187001557.db2.gz HIYGHYAQVUSKPY-SQNIBIBYSA-N 2 1 390.532 0.991 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)[C@H]2C1 ZINC000584194974 1187013342 /nfs/dbraw/zinc/01/33/42/1187013342.db2.gz IBAQTQPRERZUHW-NRSFXHEJSA-N 2 1 378.517 0.033 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](CN2CCN(C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)C1 ZINC000584222024 1187016890 /nfs/dbraw/zinc/01/68/90/1187016890.db2.gz SWEMIISICUDIJT-WSTZPKSXSA-N 2 1 381.565 0.750 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277349 1187019974 /nfs/dbraw/zinc/01/99/74/1187019974.db2.gz GPSLNLZKSYFYRJ-XHSDSOJGSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277349 1187019978 /nfs/dbraw/zinc/01/99/78/1187019978.db2.gz GPSLNLZKSYFYRJ-XHSDSOJGSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277349 1187019980 /nfs/dbraw/zinc/01/99/80/1187019980.db2.gz GPSLNLZKSYFYRJ-XHSDSOJGSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000584292154 1187026391 /nfs/dbraw/zinc/02/63/91/1187026391.db2.gz VWBUEKHWOOLZTQ-PMACEKPBSA-N 3 1 379.593 0.983 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000584308363 1187029785 /nfs/dbraw/zinc/02/97/85/1187029785.db2.gz CITZKTLKOOHCJL-QGZVFWFLSA-N 2 1 398.548 0.221 20 0 GCADMP O=C(CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000584345630 1187035557 /nfs/dbraw/zinc/03/55/57/1187035557.db2.gz HUDZNKFEOZBHBC-SFHVURJKSA-N 2 1 398.429 0.989 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562828493 1187051277 /nfs/dbraw/zinc/05/12/77/1187051277.db2.gz YUIKFCXWAFKHQH-APWZRJJASA-N 2 1 388.512 0.650 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562828493 1187051282 /nfs/dbraw/zinc/05/12/82/1187051282.db2.gz YUIKFCXWAFKHQH-APWZRJJASA-N 2 1 388.512 0.650 20 0 GCADMP CN(C(=O)C[C@H]1CCCCO1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000087318232 1187056257 /nfs/dbraw/zinc/05/62/57/1187056257.db2.gz VZZRKDKIGSDIPW-GOSISDBHSA-N 2 1 380.533 0.642 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870693 1187078374 /nfs/dbraw/zinc/07/83/74/1187078374.db2.gz RJSGSRMBBAEOGT-GOSISDBHSA-N 2 1 385.512 0.921 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339285 1187102798 /nfs/dbraw/zinc/10/27/98/1187102798.db2.gz IPUZMJFWVPLMDO-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339285 1187102799 /nfs/dbraw/zinc/10/27/99/1187102799.db2.gz IPUZMJFWVPLMDO-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339285 1187102801 /nfs/dbraw/zinc/10/28/01/1187102801.db2.gz IPUZMJFWVPLMDO-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339285 1187102804 /nfs/dbraw/zinc/10/28/04/1187102804.db2.gz IPUZMJFWVPLMDO-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685339124 1187102999 /nfs/dbraw/zinc/10/29/99/1187102999.db2.gz HJSHIJFMHGNJCT-CWLKWCNXSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685339124 1187103003 /nfs/dbraw/zinc/10/30/03/1187103003.db2.gz HJSHIJFMHGNJCT-CWLKWCNXSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685339124 1187103005 /nfs/dbraw/zinc/10/30/05/1187103005.db2.gz HJSHIJFMHGNJCT-CWLKWCNXSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339124 1187103006 /nfs/dbraw/zinc/10/30/06/1187103006.db2.gz HJSHIJFMHGNJCT-CWLKWCNXSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339343 1187103085 /nfs/dbraw/zinc/10/30/85/1187103085.db2.gz IPUZMJFWVPLMDO-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1C[NH+](C)CCO1 ZINC000685339343 1187103090 /nfs/dbraw/zinc/10/30/90/1187103090.db2.gz IPUZMJFWVPLMDO-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339343 1187103091 /nfs/dbraw/zinc/10/30/91/1187103091.db2.gz IPUZMJFWVPLMDO-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339343 1187103094 /nfs/dbraw/zinc/10/30/94/1187103094.db2.gz IPUZMJFWVPLMDO-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343650 1187109302 /nfs/dbraw/zinc/10/93/02/1187109302.db2.gz XWZVKWBYUIKCKA-NJAFHUGGSA-N 2 1 382.549 0.839 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343650 1187109303 /nfs/dbraw/zinc/10/93/03/1187109303.db2.gz XWZVKWBYUIKCKA-NJAFHUGGSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000685344442 1187110114 /nfs/dbraw/zinc/11/01/14/1187110114.db2.gz XACHSGBHFRVLNF-CRAIPNDOSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344442 1187110116 /nfs/dbraw/zinc/11/01/16/1187110116.db2.gz XACHSGBHFRVLNF-CRAIPNDOSA-N 2 1 394.491 0.551 20 0 GCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1O ZINC001023748876 1187111258 /nfs/dbraw/zinc/11/12/58/1187111258.db2.gz GGGOGADJKUADFD-KLHDSHLOSA-N 2 1 377.489 0.035 20 0 GCADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1O ZINC001023748876 1187111259 /nfs/dbraw/zinc/11/12/59/1187111259.db2.gz GGGOGADJKUADFD-KLHDSHLOSA-N 2 1 377.489 0.035 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444832 1187129438 /nfs/dbraw/zinc/12/94/38/1187129438.db2.gz ZSOLLMSLKWNJHZ-INIZCTEOSA-N 2 1 378.517 0.324 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000685501422 1187137968 /nfs/dbraw/zinc/13/79/68/1187137968.db2.gz LYRYUIXQZGHKIR-MJGOQNOKSA-N 2 1 392.544 0.690 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000685519816 1187141494 /nfs/dbraw/zinc/14/14/94/1187141494.db2.gz XNKKSEBLGWOAIQ-LJQANCHMSA-N 2 1 391.560 0.215 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCN(S(=O)(=O)C4CC4)C3)cn2)CC1 ZINC000375782879 1187189908 /nfs/dbraw/zinc/18/99/08/1187189908.db2.gz AKRMJMHBIMUUIJ-MRXNPFEDSA-N 2 1 394.545 0.275 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[NH+]3CCC(C)(C)C3)C[C@H]2O)CC[N@H+]1C ZINC001023980475 1187213368 /nfs/dbraw/zinc/21/33/68/1187213368.db2.gz PXTDPSMWXJPOGY-YLFCFFPRSA-N 2 1 380.533 0.137 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2O)CC[NH+]1C ZINC001023980475 1187213370 /nfs/dbraw/zinc/21/33/70/1187213370.db2.gz PXTDPSMWXJPOGY-YLFCFFPRSA-N 2 1 380.533 0.137 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C[N@H+]3CCC(C)(C)C3)C[C@H]2O)CC[NH+]1C ZINC001023980475 1187213373 /nfs/dbraw/zinc/21/33/73/1187213373.db2.gz PXTDPSMWXJPOGY-YLFCFFPRSA-N 2 1 380.533 0.137 20 0 GCADMP CC[NH+]1CCCN(c2nc(C(N)=O)cc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000892425544 1187251967 /nfs/dbraw/zinc/25/19/67/1187251967.db2.gz MQSNPMNMSFOQBO-UHFFFAOYSA-N 2 1 375.521 0.640 20 0 GCADMP CC[NH+]1CCCN(c2cc(C(N)=O)nc(N3CCC[N@H+](CC)CC3)n2)CC1 ZINC000892425544 1187251969 /nfs/dbraw/zinc/25/19/69/1187251969.db2.gz MQSNPMNMSFOQBO-UHFFFAOYSA-N 2 1 375.521 0.640 20 0 GCADMP CC[NH+]1CCCN(c2cc(C(N)=O)nc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000892425544 1187251972 /nfs/dbraw/zinc/25/19/72/1187251972.db2.gz MQSNPMNMSFOQBO-UHFFFAOYSA-N 2 1 375.521 0.640 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)C2)C1 ZINC000658400336 1187283926 /nfs/dbraw/zinc/28/39/26/1187283926.db2.gz FIJNRWDZLHFYRN-NRFANRHFSA-N 2 1 392.544 0.502 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000658568907 1187349314 /nfs/dbraw/zinc/34/93/14/1187349314.db2.gz YTTVMEUCHLGHTR-QZTJIDSGSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658568907 1187349318 /nfs/dbraw/zinc/34/93/18/1187349318.db2.gz YTTVMEUCHLGHTR-QZTJIDSGSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658568907 1187349321 /nfs/dbraw/zinc/34/93/21/1187349321.db2.gz YTTVMEUCHLGHTR-QZTJIDSGSA-N 2 1 379.549 0.025 20 0 GCADMP Cc1nc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cn2n1 ZINC000685736202 1187386789 /nfs/dbraw/zinc/38/67/89/1187386789.db2.gz SMURRSXLJGHMLO-HNNXBMFYSA-N 2 1 385.472 0.261 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CCOC ZINC000658694214 1187413363 /nfs/dbraw/zinc/41/33/63/1187413363.db2.gz CHMUPYKRMAGIEN-IAGOWNOFSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CCOC ZINC000658694214 1187413366 /nfs/dbraw/zinc/41/33/66/1187413366.db2.gz CHMUPYKRMAGIEN-IAGOWNOFSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694214 1187413369 /nfs/dbraw/zinc/41/33/69/1187413369.db2.gz CHMUPYKRMAGIEN-IAGOWNOFSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694214 1187413376 /nfs/dbraw/zinc/41/33/76/1187413376.db2.gz CHMUPYKRMAGIEN-IAGOWNOFSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000658777155 1187457803 /nfs/dbraw/zinc/45/78/03/1187457803.db2.gz AAPMAUISSMFVFE-MRXNPFEDSA-N 2 1 375.473 0.726 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000658777155 1187457807 /nfs/dbraw/zinc/45/78/07/1187457807.db2.gz AAPMAUISSMFVFE-MRXNPFEDSA-N 2 1 375.473 0.726 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC000472429584 1187486868 /nfs/dbraw/zinc/48/68/68/1187486868.db2.gz WLKSANDMQKYFBF-QZTJIDSGSA-N 2 1 394.560 0.671 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612442988 1187491444 /nfs/dbraw/zinc/49/14/44/1187491444.db2.gz BATMPEWWXPLESY-MSOLQXFVSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612442988 1187491447 /nfs/dbraw/zinc/49/14/47/1187491447.db2.gz BATMPEWWXPLESY-MSOLQXFVSA-N 2 1 392.544 0.690 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443947 1187491457 /nfs/dbraw/zinc/49/14/57/1187491457.db2.gz HURMLLMASUNUHF-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443947 1187491459 /nfs/dbraw/zinc/49/14/59/1187491459.db2.gz HURMLLMASUNUHF-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612443947 1187491462 /nfs/dbraw/zinc/49/14/62/1187491462.db2.gz HURMLLMASUNUHF-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612443947 1187491464 /nfs/dbraw/zinc/49/14/64/1187491464.db2.gz HURMLLMASUNUHF-IRXDYDNUSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000612481888 1187502797 /nfs/dbraw/zinc/50/27/97/1187502797.db2.gz GMUDIBNJYNOMMN-SJORKVTESA-N 2 1 382.549 0.527 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000612481888 1187502798 /nfs/dbraw/zinc/50/27/98/1187502798.db2.gz GMUDIBNJYNOMMN-SJORKVTESA-N 2 1 382.549 0.527 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000612481195 1187504162 /nfs/dbraw/zinc/50/41/62/1187504162.db2.gz RUBRCSLKKJIVIN-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000612481466 1187504271 /nfs/dbraw/zinc/50/42/71/1187504271.db2.gz BHENYIMDTRBWRU-SJORKVTESA-N 2 1 382.549 0.527 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000612481466 1187504274 /nfs/dbraw/zinc/50/42/74/1187504274.db2.gz BHENYIMDTRBWRU-SJORKVTESA-N 2 1 382.549 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484978 1187505741 /nfs/dbraw/zinc/50/57/41/1187505741.db2.gz JULIZUAPLNIAAF-OALUTQOASA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000612544169 1187518497 /nfs/dbraw/zinc/51/84/97/1187518497.db2.gz WJIFXJWRUONCDF-GOSISDBHSA-N 2 1 393.576 0.606 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595270 1187535388 /nfs/dbraw/zinc/53/53/88/1187535388.db2.gz FXFRUHKCSNXCPU-FGTMMUONSA-N 2 1 378.517 0.441 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612596722 1187537142 /nfs/dbraw/zinc/53/71/42/1187537142.db2.gz SJKGQPKZACHCGX-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@]1(NC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000612873577 1187609449 /nfs/dbraw/zinc/60/94/49/1187609449.db2.gz ZTOIOHIFZRLXLO-FQEVSTJZSA-N 2 1 389.500 0.899 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522094 1187664743 /nfs/dbraw/zinc/66/47/43/1187664743.db2.gz PNVZGBISFJRLFV-UXHICEINSA-N 2 1 393.576 0.786 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)[NH+]1CCOCC1 ZINC000431775334 1187705241 /nfs/dbraw/zinc/70/52/41/1187705241.db2.gz ITJDBKYMSVGPIN-GOSISDBHSA-N 2 1 397.564 0.635 20 0 GCADMP C[NH+]1CC=C(CNC(=O)[C@@H]2CC[C@H](C(=O)NCC3=CC[N@@H+](C)CC3)O2)CC1 ZINC000613265788 1187710944 /nfs/dbraw/zinc/71/09/44/1187710944.db2.gz NBRLTZPYZYJIGC-HDICACEKSA-N 2 1 376.501 0.290 20 0 GCADMP C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)NCC3=CC[N@H+](C)CC3)O2)CC1 ZINC000613265788 1187710946 /nfs/dbraw/zinc/71/09/46/1187710946.db2.gz NBRLTZPYZYJIGC-HDICACEKSA-N 2 1 376.501 0.290 20 0 GCADMP C[NH+]1CC=C(CNC(=O)[C@H]2CC[C@@H](C(=O)NCC3=CC[N@@H+](C)CC3)O2)CC1 ZINC000613265788 1187710948 /nfs/dbraw/zinc/71/09/48/1187710948.db2.gz NBRLTZPYZYJIGC-HDICACEKSA-N 2 1 376.501 0.290 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000376343971 1187779166 /nfs/dbraw/zinc/77/91/66/1187779166.db2.gz MOEXQEFSAJWDPP-MOPGFXCFSA-N 2 1 398.548 0.618 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332812508 1187782417 /nfs/dbraw/zinc/78/24/17/1187782417.db2.gz VBVYNAYJAKQVFW-IEWDOMPSSA-N 2 1 392.544 0.614 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332812508 1187782419 /nfs/dbraw/zinc/78/24/19/1187782419.db2.gz VBVYNAYJAKQVFW-IEWDOMPSSA-N 2 1 392.544 0.614 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332812508 1187782425 /nfs/dbraw/zinc/78/24/25/1187782425.db2.gz VBVYNAYJAKQVFW-IEWDOMPSSA-N 2 1 392.544 0.614 20 0 GCADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892581902 1187791305 /nfs/dbraw/zinc/79/13/05/1187791305.db2.gz BLCYVYFJELNFEK-CRAIPNDOSA-N 2 1 379.526 0.987 20 0 GCADMP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658987244 1187831020 /nfs/dbraw/zinc/83/10/20/1187831020.db2.gz NJCUIVHCXPCYFE-PBWTXFEYSA-N 2 1 392.544 0.497 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)c2C1 ZINC000659110387 1187887852 /nfs/dbraw/zinc/88/78/52/1187887852.db2.gz FSSGIGZQCRULFL-UHFFFAOYSA-N 2 1 384.440 0.621 20 0 GCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)c2C1 ZINC000659110387 1187887854 /nfs/dbraw/zinc/88/78/54/1187887854.db2.gz FSSGIGZQCRULFL-UHFFFAOYSA-N 2 1 384.440 0.621 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345055 1187945371 /nfs/dbraw/zinc/94/53/71/1187945371.db2.gz VRMHIKUHLRQYKK-IEBWSBKVSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345055 1187945374 /nfs/dbraw/zinc/94/53/74/1187945374.db2.gz VRMHIKUHLRQYKK-IEBWSBKVSA-N 2 1 393.576 0.602 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000659344560 1187946657 /nfs/dbraw/zinc/94/66/57/1187946657.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659344560 1187946658 /nfs/dbraw/zinc/94/66/58/1187946658.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000659344560 1187946660 /nfs/dbraw/zinc/94/66/60/1187946660.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344560 1187946662 /nfs/dbraw/zinc/94/66/62/1187946662.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344560 1187946664 /nfs/dbraw/zinc/94/66/64/1187946664.db2.gz FWUFCQZTURBDAW-SFHVURJKSA-N 2 1 379.549 0.166 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@H](C)C1 ZINC000659456311 1187960862 /nfs/dbraw/zinc/96/08/62/1187960862.db2.gz KMEFWQJMGSJISM-UKRRQHHQSA-N 2 1 380.493 0.577 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659455813 1187961182 /nfs/dbraw/zinc/96/11/82/1187961182.db2.gz DOSKKIHKYNSGNT-VQTJNVASSA-N 2 1 393.576 0.814 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659460090 1187961870 /nfs/dbraw/zinc/96/18/70/1187961870.db2.gz QIZCDTXQGMUHBN-HNNXBMFYSA-N 2 1 399.499 0.651 20 0 GCADMP Cc1cc(N2CCC(NC(=O)NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)nc(C)[nH+]1 ZINC000659466415 1187962444 /nfs/dbraw/zinc/96/24/44/1187962444.db2.gz PGLJZGZNLGMULV-UHFFFAOYSA-N 2 1 386.460 0.516 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCc2ccccc2C1 ZINC000178779061 1187966719 /nfs/dbraw/zinc/96/67/19/1187966719.db2.gz VARNVDDDHZXVML-MRXNPFEDSA-N 2 1 398.511 0.946 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+]1CCc2ccccc2C1 ZINC000178779061 1187966721 /nfs/dbraw/zinc/96/67/21/1187966721.db2.gz VARNVDDDHZXVML-MRXNPFEDSA-N 2 1 398.511 0.946 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551596 1187970891 /nfs/dbraw/zinc/97/08/91/1187970891.db2.gz WXQJLBNNXCYPCI-OALUTQOASA-N 2 1 375.517 0.480 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551596 1187970896 /nfs/dbraw/zinc/97/08/96/1187970896.db2.gz WXQJLBNNXCYPCI-OALUTQOASA-N 2 1 375.517 0.480 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000659627275 1187977007 /nfs/dbraw/zinc/97/70/07/1187977007.db2.gz USKWDIQNYYGPDJ-RTBURBONSA-N 2 1 375.517 0.562 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000659627275 1187977010 /nfs/dbraw/zinc/97/70/10/1187977010.db2.gz USKWDIQNYYGPDJ-RTBURBONSA-N 2 1 375.517 0.562 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000659630429 1187978332 /nfs/dbraw/zinc/97/83/32/1187978332.db2.gz IBXRFCKKOXIQDT-UHFFFAOYSA-N 2 1 394.520 0.921 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000659678374 1187992805 /nfs/dbraw/zinc/99/28/05/1187992805.db2.gz KZDRFJOGCJPZTK-OAHLLOKOSA-N 2 1 392.500 0.590 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000659678374 1187992807 /nfs/dbraw/zinc/99/28/07/1187992807.db2.gz KZDRFJOGCJPZTK-OAHLLOKOSA-N 2 1 392.500 0.590 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659674369 1187994013 /nfs/dbraw/zinc/99/40/13/1187994013.db2.gz GOYLZEWOCRPBER-CYBMUJFWSA-N 2 1 392.504 0.274 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677114 1187995083 /nfs/dbraw/zinc/99/50/83/1187995083.db2.gz AGNYZGFQWKVMGR-HIFRSBDPSA-N 2 1 378.473 0.118 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000659677114 1187995086 /nfs/dbraw/zinc/99/50/86/1187995086.db2.gz AGNYZGFQWKVMGR-HIFRSBDPSA-N 2 1 378.473 0.118 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000659686994 1187997412 /nfs/dbraw/zinc/99/74/12/1187997412.db2.gz BKLCGZIUWPXRPQ-GOSISDBHSA-N 2 1 388.512 0.781 20 0 GCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683460 1187998916 /nfs/dbraw/zinc/99/89/16/1187998916.db2.gz ZCVZCWZGHNDAQB-HIFRSBDPSA-N 2 1 398.467 0.209 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659698400 1187999592 /nfs/dbraw/zinc/99/95/92/1187999592.db2.gz NAPKCJRQDUCQAC-FUHWJXTLSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000659698400 1187999594 /nfs/dbraw/zinc/99/95/94/1187999594.db2.gz NAPKCJRQDUCQAC-FUHWJXTLSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000659698400 1187999598 /nfs/dbraw/zinc/99/95/98/1187999598.db2.gz NAPKCJRQDUCQAC-FUHWJXTLSA-N 2 1 375.517 0.206 20 0 GCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000584530784 1188042644 /nfs/dbraw/zinc/04/26/44/1188042644.db2.gz HXKROCDUGYRHFU-DLBZAZTESA-N 2 1 380.533 0.594 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893011705 1188100058 /nfs/dbraw/zinc/10/00/58/1188100058.db2.gz MDNYKOLEISAPDG-GBESFXJTSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC([NH2+]C2CCC2)CC1 ZINC000893052787 1188121424 /nfs/dbraw/zinc/12/14/24/1188121424.db2.gz HCMIQFBKSPJMPX-LJQANCHMSA-N 2 1 379.549 0.709 20 0 GCADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1nc(C(N)=O)cc(N2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000893077651 1188138094 /nfs/dbraw/zinc/13/80/94/1188138094.db2.gz BNDXWAVQYVAKMK-LXTVHRRPSA-N 2 1 375.521 0.633 20 0 GCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cc(C(N)=O)nc(N2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000893077651 1188138099 /nfs/dbraw/zinc/13/80/99/1188138099.db2.gz BNDXWAVQYVAKMK-LXTVHRRPSA-N 2 1 375.521 0.633 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)c2C1 ZINC000415713234 1188146926 /nfs/dbraw/zinc/14/69/26/1188146926.db2.gz RPUXPRHVTAIHHB-KRWDZBQOSA-N 2 1 385.512 0.857 20 0 GCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)c2C1 ZINC000415713234 1188146932 /nfs/dbraw/zinc/14/69/32/1188146932.db2.gz RPUXPRHVTAIHHB-KRWDZBQOSA-N 2 1 385.512 0.857 20 0 GCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1)C1CC1 ZINC000415704983 1188147335 /nfs/dbraw/zinc/14/73/35/1188147335.db2.gz HELWUYWFAHKOCD-FQEVSTJZSA-N 2 1 399.539 0.768 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472905951 1189372587 /nfs/dbraw/zinc/37/25/87/1189372587.db2.gz JKMSKVRLZLPATC-KRWDZBQOSA-N 2 1 396.580 0.254 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917283 1189373317 /nfs/dbraw/zinc/37/33/17/1189373317.db2.gz SGTBKIMLPPFYQG-RTBURBONSA-N 2 1 394.560 0.888 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917283 1189373320 /nfs/dbraw/zinc/37/33/20/1189373320.db2.gz SGTBKIMLPPFYQG-RTBURBONSA-N 2 1 394.560 0.888 20 0 GCADMP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917281 1189373671 /nfs/dbraw/zinc/37/36/71/1189373671.db2.gz SGTBKIMLPPFYQG-OALUTQOASA-N 2 1 394.560 0.888 20 0 GCADMP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917281 1189373673 /nfs/dbraw/zinc/37/36/73/1189373673.db2.gz SGTBKIMLPPFYQG-OALUTQOASA-N 2 1 394.560 0.888 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000415856271 1189383637 /nfs/dbraw/zinc/38/36/37/1189383637.db2.gz ZOJCWVSHEJHOQW-KBPBESRZSA-N 2 1 375.473 0.569 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000415856272 1189383772 /nfs/dbraw/zinc/38/37/72/1189383772.db2.gz ZOJCWVSHEJHOQW-KGLIPLIRSA-N 2 1 375.473 0.569 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415903087 1189401684 /nfs/dbraw/zinc/40/16/84/1189401684.db2.gz YRGGCSVPMIKATP-MSOLQXFVSA-N 2 1 386.496 0.568 20 0 GCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000378154341 1189430798 /nfs/dbraw/zinc/43/07/98/1189430798.db2.gz XHOBCGSQOTYKAE-RTBURBONSA-N 2 1 381.565 0.955 20 0 GCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000378154335 1189430831 /nfs/dbraw/zinc/43/08/31/1189430831.db2.gz XHOBCGSQOTYKAE-MOPGFXCFSA-N 2 1 381.565 0.955 20 0 GCADMP CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000460853605 1189458567 /nfs/dbraw/zinc/45/85/67/1189458567.db2.gz GLHJZAMVOBEFHL-ROUUACIJSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853605 1189458571 /nfs/dbraw/zinc/45/85/71/1189458571.db2.gz GLHJZAMVOBEFHL-ROUUACIJSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853605 1189458573 /nfs/dbraw/zinc/45/85/73/1189458573.db2.gz GLHJZAMVOBEFHL-ROUUACIJSA-N 2 1 382.549 0.827 20 0 GCADMP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000363832231 1189511036 /nfs/dbraw/zinc/51/10/36/1189511036.db2.gz YKLYYTLPUIUUIU-HXUWFJFHSA-N 2 1 394.608 0.822 20 0 GCADMP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363832231 1189511039 /nfs/dbraw/zinc/51/10/39/1189511039.db2.gz YKLYYTLPUIUUIU-HXUWFJFHSA-N 2 1 394.608 0.822 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccn1 ZINC000378572133 1189538209 /nfs/dbraw/zinc/53/82/09/1189538209.db2.gz BKHQFJIPTSYLDJ-GOSISDBHSA-N 2 1 375.517 0.874 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000378579531 1189539343 /nfs/dbraw/zinc/53/93/43/1189539343.db2.gz QJSOQAGFSDAGLW-KRWDZBQOSA-N 2 1 389.500 0.401 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577741 1189574784 /nfs/dbraw/zinc/57/47/84/1189574784.db2.gz SBTRNYDONYDNLX-FUHWJXTLSA-N 2 1 376.501 0.318 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccco1 ZINC000416809635 1189585494 /nfs/dbraw/zinc/58/54/94/1189585494.db2.gz JIJXXDSBLGCNDY-CVEARBPZSA-N 2 1 377.489 0.736 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000416833219 1189587438 /nfs/dbraw/zinc/58/74/38/1189587438.db2.gz JHXPIDVWGCLGFW-AEFFLSMTSA-N 2 1 375.517 0.987 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000416833223 1189587836 /nfs/dbraw/zinc/58/78/36/1189587836.db2.gz JHXPIDVWGCLGFW-SJLPKXTDSA-N 2 1 375.517 0.987 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000416881063 1189591490 /nfs/dbraw/zinc/59/14/90/1189591490.db2.gz ZVEAJXXWJONHQE-DLBZAZTESA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416943199 1189596516 /nfs/dbraw/zinc/59/65/16/1189596516.db2.gz SVFGYHVWXCDJNO-ZWKOTPCHSA-N 2 1 397.564 0.762 20 0 GCADMP CC(C)C[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416943197 1189596571 /nfs/dbraw/zinc/59/65/71/1189596571.db2.gz SVFGYHVWXCDJNO-ROUUACIJSA-N 2 1 397.564 0.762 20 0 GCADMP [NH3+][C@H](CNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)c1ccccc1 ZINC000416940782 1189596628 /nfs/dbraw/zinc/59/66/28/1189596628.db2.gz ASWLUKRLTXXDTM-GOSISDBHSA-N 2 1 383.500 0.988 20 0 GCADMP [NH3+]CC[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416942846 1189597333 /nfs/dbraw/zinc/59/73/33/1189597333.db2.gz DXQIXOQIEQSTSA-QGZVFWFLSA-N 2 1 375.521 0.759 20 0 GCADMP CC(C)[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000416946765 1189599561 /nfs/dbraw/zinc/59/95/61/1189599561.db2.gz XOOXADLJKONNOQ-GJZGRUSLSA-N 2 1 395.470 0.479 20 0 GCADMP O=C(NCCC[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416962400 1189601032 /nfs/dbraw/zinc/60/10/32/1189601032.db2.gz YMEIVVOAZHJENL-QGZVFWFLSA-N 2 1 375.521 0.820 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416961004 1189601267 /nfs/dbraw/zinc/60/12/67/1189601267.db2.gz PCZUCBORMNNSLR-FGTMMUONSA-N 2 1 387.532 0.676 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416960294 1189602859 /nfs/dbraw/zinc/60/28/59/1189602859.db2.gz VWLHRSSWZIBJAJ-IAGOWNOFSA-N 2 1 375.521 0.805 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)CC1 ZINC000416988279 1189604188 /nfs/dbraw/zinc/60/41/88/1189604188.db2.gz LBURIFGTYBJQPJ-FQEVSTJZSA-N 2 1 388.560 0.527 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCCC[N@H+]2CCc3ccccc3C2)C1 ZINC000417037022 1189611822 /nfs/dbraw/zinc/61/18/22/1189611822.db2.gz TXIBNHCBONOOHW-LJQANCHMSA-N 2 1 387.528 0.931 20 0 GCADMP Cc1ccc(NCCCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]c1 ZINC000417069345 1189614094 /nfs/dbraw/zinc/61/40/94/1189614094.db2.gz TWQISVCMUJUTBD-CQSZACIVSA-N 2 1 388.438 1.327 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417117803 1189618467 /nfs/dbraw/zinc/61/84/67/1189618467.db2.gz RAZMMRFZBWPAPX-ZBFHGGJFSA-N 2 1 393.557 0.991 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417117803 1189618469 /nfs/dbraw/zinc/61/84/69/1189618469.db2.gz RAZMMRFZBWPAPX-ZBFHGGJFSA-N 2 1 393.557 0.991 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000417165304 1189627215 /nfs/dbraw/zinc/62/72/15/1189627215.db2.gz RASTZGVTDYJFHI-GOSISDBHSA-N 2 1 389.500 0.899 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736699 1189644002 /nfs/dbraw/zinc/64/40/02/1189644002.db2.gz CGWRKKAAUVTUHH-MOPGFXCFSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000584736699 1189644004 /nfs/dbraw/zinc/64/40/04/1189644004.db2.gz CGWRKKAAUVTUHH-MOPGFXCFSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000584736699 1189644008 /nfs/dbraw/zinc/64/40/08/1189644008.db2.gz CGWRKKAAUVTUHH-MOPGFXCFSA-N 2 1 388.512 0.462 20 0 GCADMP CO[C@@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000417371544 1189654515 /nfs/dbraw/zinc/65/45/15/1189654515.db2.gz WKCOOOHSQIDJLE-RTBURBONSA-N 2 1 390.532 0.741 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417369328 1189654781 /nfs/dbraw/zinc/65/47/81/1189654781.db2.gz QUCWRUHLPIFKOL-UHFFFAOYSA-N 2 1 389.548 0.188 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417429268 1189662805 /nfs/dbraw/zinc/66/28/05/1189662805.db2.gz MSRUIIVKBYJUPB-ROUUACIJSA-N 2 1 379.549 0.960 20 0 GCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417558432 1189682913 /nfs/dbraw/zinc/68/29/13/1189682913.db2.gz FMBYTEKFDGTQMF-TZMCWYRMSA-N 2 1 376.427 0.963 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852930 1189692590 /nfs/dbraw/zinc/69/25/90/1189692590.db2.gz KLBZBLRCZIOOQP-OALUTQOASA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852930 1189692602 /nfs/dbraw/zinc/69/26/02/1189692602.db2.gz KLBZBLRCZIOOQP-OALUTQOASA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852930 1189692609 /nfs/dbraw/zinc/69/26/09/1189692609.db2.gz KLBZBLRCZIOOQP-OALUTQOASA-N 2 1 395.592 0.469 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660257035 1189694703 /nfs/dbraw/zinc/69/47/03/1189694703.db2.gz FSDGXUGFXZXDFA-GBESFXJTSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@@H]1C ZINC000660257035 1189694706 /nfs/dbraw/zinc/69/47/06/1189694706.db2.gz FSDGXUGFXZXDFA-GBESFXJTSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@@H]1C ZINC000660257035 1189694710 /nfs/dbraw/zinc/69/47/10/1189694710.db2.gz FSDGXUGFXZXDFA-GBESFXJTSA-N 2 1 393.576 0.556 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417725477 1189700971 /nfs/dbraw/zinc/70/09/71/1189700971.db2.gz GHLMUFOSFMVTBY-MJGOQNOKSA-N 2 1 375.517 0.956 20 0 GCADMP CO[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CCCCC1 ZINC000668911636 1189718315 /nfs/dbraw/zinc/71/83/15/1189718315.db2.gz VHSYJMHNXAFIFV-MJGOQNOKSA-N 2 1 394.560 0.983 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CC1(C)C ZINC000418168645 1189730509 /nfs/dbraw/zinc/73/05/09/1189730509.db2.gz LQWABXGPGVFSRR-MRXNPFEDSA-N 2 1 382.553 0.042 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@H+]3CCCO[C@H](C)C3)C2)CC1 ZINC000364332750 1189751082 /nfs/dbraw/zinc/75/10/82/1189751082.db2.gz QKRRLHFFFVKMQF-RTBURBONSA-N 2 1 381.565 0.909 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418295186 1189751391 /nfs/dbraw/zinc/75/13/91/1189751391.db2.gz HOYUYEZNJOSYOH-RBUKOAKNSA-N 2 1 375.517 0.074 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418304132 1189755402 /nfs/dbraw/zinc/75/54/02/1189755402.db2.gz XBMIKSWGLRTHFT-RBUKOAKNSA-N 2 1 375.517 0.074 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660403591 1189783477 /nfs/dbraw/zinc/78/34/77/1189783477.db2.gz DENNFCNOHAHMLU-IBGZPJMESA-N 2 1 381.565 0.957 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660771967 1189948768 /nfs/dbraw/zinc/94/87/68/1189948768.db2.gz XGDQCHLVNDTIQZ-QGZVFWFLSA-N 2 1 380.533 0.092 20 0 GCADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771967 1189948772 /nfs/dbraw/zinc/94/87/72/1189948772.db2.gz XGDQCHLVNDTIQZ-QGZVFWFLSA-N 2 1 380.533 0.092 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771967 1189948776 /nfs/dbraw/zinc/94/87/76/1189948776.db2.gz XGDQCHLVNDTIQZ-QGZVFWFLSA-N 2 1 380.533 0.092 20 0 GCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660771967 1189948781 /nfs/dbraw/zinc/94/87/81/1189948781.db2.gz XGDQCHLVNDTIQZ-QGZVFWFLSA-N 2 1 380.533 0.092 20 0 GCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660771967 1189948785 /nfs/dbraw/zinc/94/87/85/1189948785.db2.gz XGDQCHLVNDTIQZ-QGZVFWFLSA-N 2 1 380.533 0.092 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000660828916 1189955370 /nfs/dbraw/zinc/95/53/70/1189955370.db2.gz CFFQMMLEBFGFGO-HKUYNNGSSA-N 2 1 381.565 0.813 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900238 1189963653 /nfs/dbraw/zinc/96/36/53/1189963653.db2.gz KRLYUKOEVHYLNK-PXNSSMCTSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900238 1189963658 /nfs/dbraw/zinc/96/36/58/1189963658.db2.gz KRLYUKOEVHYLNK-PXNSSMCTSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900238 1189963662 /nfs/dbraw/zinc/96/36/62/1189963662.db2.gz KRLYUKOEVHYLNK-PXNSSMCTSA-N 2 1 378.517 0.111 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1CCO ZINC000661358471 1190036079 /nfs/dbraw/zinc/03/60/79/1190036079.db2.gz IRPZCJUSGCSKAD-AEFFLSMTSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1CCO ZINC000661358471 1190036085 /nfs/dbraw/zinc/03/60/85/1190036085.db2.gz IRPZCJUSGCSKAD-AEFFLSMTSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358471 1190036094 /nfs/dbraw/zinc/03/60/94/1190036094.db2.gz IRPZCJUSGCSKAD-AEFFLSMTSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358471 1190036099 /nfs/dbraw/zinc/03/60/99/1190036099.db2.gz IRPZCJUSGCSKAD-AEFFLSMTSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1CCO ZINC000661358473 1190036129 /nfs/dbraw/zinc/03/61/29/1190036129.db2.gz IRPZCJUSGCSKAD-SJLPKXTDSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1CCO ZINC000661358473 1190036134 /nfs/dbraw/zinc/03/61/34/1190036134.db2.gz IRPZCJUSGCSKAD-SJLPKXTDSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358473 1190036139 /nfs/dbraw/zinc/03/61/39/1190036139.db2.gz IRPZCJUSGCSKAD-SJLPKXTDSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358473 1190036144 /nfs/dbraw/zinc/03/61/44/1190036144.db2.gz IRPZCJUSGCSKAD-SJLPKXTDSA-N 2 1 392.544 0.377 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419226608 1193728270 /nfs/dbraw/zinc/72/82/70/1193728270.db2.gz RBHJPUAMXPAXQS-ZWKOTPCHSA-N 2 1 378.517 0.500 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228772 1193738578 /nfs/dbraw/zinc/73/85/78/1193738578.db2.gz MRTWVWGMDNQBEX-WMZOPIPTSA-N 2 1 376.501 0.365 20 0 GCADMP O=C(NCC[NH+]1CCC(O)CC1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000894110430 1193740826 /nfs/dbraw/zinc/74/08/26/1193740826.db2.gz GRFFWPZKVQSRLK-IBGZPJMESA-N 2 1 376.501 0.509 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419232339 1193742354 /nfs/dbraw/zinc/74/23/54/1193742354.db2.gz UMIJONYREROOOS-OALUTQOASA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419232339 1193742356 /nfs/dbraw/zinc/74/23/56/1193742356.db2.gz UMIJONYREROOOS-OALUTQOASA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419232339 1193742359 /nfs/dbraw/zinc/74/23/59/1193742359.db2.gz UMIJONYREROOOS-OALUTQOASA-N 2 1 385.512 0.935 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419233226 1193743003 /nfs/dbraw/zinc/74/30/03/1193743003.db2.gz VWUVFSRCJQYQIJ-QRQLOZEOSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233969 1193744411 /nfs/dbraw/zinc/74/44/11/1193744411.db2.gz XAHLQPOYMJKDOM-HKUYNNGSSA-N 2 1 387.528 0.035 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512736443 1193748378 /nfs/dbraw/zinc/74/83/78/1193748378.db2.gz VBKQEKSWIUMIEF-RDJZCZTQSA-N 2 1 396.557 0.942 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000512736442 1193748621 /nfs/dbraw/zinc/74/86/21/1193748621.db2.gz VBKQEKSWIUMIEF-NVXWUHKLSA-N 2 1 396.557 0.942 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419240224 1193754961 /nfs/dbraw/zinc/75/49/61/1193754961.db2.gz QZNRBGGFRUYDEI-MPGHIAIKSA-N 2 1 388.512 0.779 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419240224 1193754964 /nfs/dbraw/zinc/75/49/64/1193754964.db2.gz QZNRBGGFRUYDEI-MPGHIAIKSA-N 2 1 388.512 0.779 20 0 GCADMP CCc1ccc([C@@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000549882695 1193774387 /nfs/dbraw/zinc/77/43/87/1193774387.db2.gz UWZFLLJRNOUSGQ-LJQANCHMSA-N 2 1 390.528 0.806 20 0 GCADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419269404 1193777365 /nfs/dbraw/zinc/77/73/65/1193777365.db2.gz OKSRLUPLFHRXFT-MOPGFXCFSA-N 2 1 388.512 0.769 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419298608 1193792313 /nfs/dbraw/zinc/79/23/13/1193792313.db2.gz IMOYGSCGSSOPTO-YOEHRIQHSA-N 2 1 391.422 0.848 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000576227197 1193822126 /nfs/dbraw/zinc/82/21/26/1193822126.db2.gz KIUNJHOTOOQVSX-DLBZAZTESA-N 2 1 391.516 0.375 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000419345628 1193840031 /nfs/dbraw/zinc/84/00/31/1193840031.db2.gz UJQJSKLCMJDYDM-LJQANCHMSA-N 2 1 387.528 0.309 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000419349551 1193844549 /nfs/dbraw/zinc/84/45/49/1193844549.db2.gz YUCMFKPNNBGXKA-UHFFFAOYSA-N 2 1 375.517 0.166 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419348908 1193845804 /nfs/dbraw/zinc/84/58/04/1193845804.db2.gz CIFQHBYGAUXPDW-UHFFFAOYSA-N 2 1 390.532 0.344 20 0 GCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389545 1193898844 /nfs/dbraw/zinc/89/88/44/1193898844.db2.gz FMRABUMXJYFGRY-FGTMMUONSA-N 2 1 390.553 0.964 20 0 GCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389545 1193898852 /nfs/dbraw/zinc/89/88/52/1193898852.db2.gz FMRABUMXJYFGRY-FGTMMUONSA-N 2 1 390.553 0.964 20 0 GCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389549 1193899217 /nfs/dbraw/zinc/89/92/17/1193899217.db2.gz FMRABUMXJYFGRY-KZNAEPCWSA-N 2 1 390.553 0.964 20 0 GCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389549 1193899226 /nfs/dbraw/zinc/89/92/26/1193899226.db2.gz FMRABUMXJYFGRY-KZNAEPCWSA-N 2 1 390.553 0.964 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000549926674 1193902013 /nfs/dbraw/zinc/90/20/13/1193902013.db2.gz DQVYGNTVSNYFAM-MJGOQNOKSA-N 2 1 390.528 0.850 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000549926674 1193902015 /nfs/dbraw/zinc/90/20/15/1193902015.db2.gz DQVYGNTVSNYFAM-MJGOQNOKSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCO1 ZINC000669369746 1193913747 /nfs/dbraw/zinc/91/37/47/1193913747.db2.gz LLBJCDISDCUHSM-MAUKXSAKSA-N 2 1 379.480 0.705 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175860 1193948337 /nfs/dbraw/zinc/94/83/37/1193948337.db2.gz ROGWFODOZNOMGD-QZTJIDSGSA-N 2 1 395.548 0.470 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000647809427 1193951284 /nfs/dbraw/zinc/95/12/84/1193951284.db2.gz BZZCXGKOIRLYDJ-IBGZPJMESA-N 2 1 386.496 0.984 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000263108301 1193962067 /nfs/dbraw/zinc/96/20/67/1193962067.db2.gz DHAPBFQQVQIXLK-KXBFYZLASA-N 2 1 376.501 0.623 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000263108301 1193962068 /nfs/dbraw/zinc/96/20/68/1193962068.db2.gz DHAPBFQQVQIXLK-KXBFYZLASA-N 2 1 376.501 0.623 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261797158 1193963318 /nfs/dbraw/zinc/96/33/18/1193963318.db2.gz IOOJMLYIERQZDN-JQHSSLGASA-N 2 1 378.517 0.347 20 0 GCADMP C[C@@H]1CN(c2ccnc(N3C[C@H](C)[NH+](CCO)C[C@@H]3C)n2)[C@@H](C)C[N@H+]1CCO ZINC000894234098 1193968308 /nfs/dbraw/zinc/96/83/08/1193968308.db2.gz RWOBENAUYLGVJW-OWSLCNJRSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1CN(c2ccnc(N3C[C@H](C)[N@H+](CCO)C[C@@H]3C)n2)[C@@H](C)C[NH+]1CCO ZINC000894234098 1193968309 /nfs/dbraw/zinc/96/83/09/1193968309.db2.gz RWOBENAUYLGVJW-OWSLCNJRSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1CN(c2ccnc(N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)n2)[C@@H](C)C[NH+]1CCO ZINC000894234098 1193968312 /nfs/dbraw/zinc/96/83/12/1193968312.db2.gz RWOBENAUYLGVJW-OWSLCNJRSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)n1 ZINC000894234101 1193968379 /nfs/dbraw/zinc/96/83/79/1193968379.db2.gz RWOBENAUYLGVJW-XMTFNYHQSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1c1ccnc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)n1 ZINC000894234101 1193968384 /nfs/dbraw/zinc/96/83/84/1193968384.db2.gz RWOBENAUYLGVJW-XMTFNYHQSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1c1ccnc(N2C[C@H](C)[N@@H+](CCO)C[C@H]2C)n1 ZINC000894234101 1193968385 /nfs/dbraw/zinc/96/83/85/1193968385.db2.gz RWOBENAUYLGVJW-XMTFNYHQSA-N 2 1 392.548 0.259 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261807118 1194010820 /nfs/dbraw/zinc/01/08/20/1194010820.db2.gz JGMJRPRGXBFMIN-HKUYNNGSSA-N 3 1 393.576 0.556 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261807118 1194010823 /nfs/dbraw/zinc/01/08/23/1194010823.db2.gz JGMJRPRGXBFMIN-HKUYNNGSSA-N 2 1 393.576 0.556 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419400138 1194019130 /nfs/dbraw/zinc/01/91/30/1194019130.db2.gz LIGJXKZFMHPCQK-IAGOWNOFSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419400138 1194019133 /nfs/dbraw/zinc/01/91/33/1194019133.db2.gz LIGJXKZFMHPCQK-IAGOWNOFSA-N 2 1 376.526 0.588 20 0 GCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419399982 1194019628 /nfs/dbraw/zinc/01/96/28/1194019628.db2.gz KYTIUIPSFGCKNC-SJORKVTESA-N 2 1 376.526 0.527 20 0 GCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419399982 1194019632 /nfs/dbraw/zinc/01/96/32/1194019632.db2.gz KYTIUIPSFGCKNC-SJORKVTESA-N 2 1 376.526 0.527 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401776 1194020278 /nfs/dbraw/zinc/02/02/78/1194020278.db2.gz PMTDCFOUYNZCCX-DLBZAZTESA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401776 1194020280 /nfs/dbraw/zinc/02/02/80/1194020280.db2.gz PMTDCFOUYNZCCX-DLBZAZTESA-N 2 1 376.526 0.588 20 0 GCADMP CC[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419404047 1194020951 /nfs/dbraw/zinc/02/09/51/1194020951.db2.gz FGPYXGRVNRNNIE-RBUKOAKNSA-N 2 1 388.512 0.434 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408231 1194021561 /nfs/dbraw/zinc/02/15/61/1194021561.db2.gz CHXIMBLFCKLIAO-CEXWTWQISA-N 2 1 390.528 0.882 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408231 1194021565 /nfs/dbraw/zinc/02/15/65/1194021565.db2.gz CHXIMBLFCKLIAO-CEXWTWQISA-N 2 1 390.528 0.882 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408233 1194022076 /nfs/dbraw/zinc/02/20/76/1194022076.db2.gz CHXIMBLFCKLIAO-GBESFXJTSA-N 2 1 390.528 0.882 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408233 1194022080 /nfs/dbraw/zinc/02/20/80/1194022080.db2.gz CHXIMBLFCKLIAO-GBESFXJTSA-N 2 1 390.528 0.882 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419419129 1194022303 /nfs/dbraw/zinc/02/23/03/1194022303.db2.gz LVRXITDGRPLVQI-IBGZPJMESA-N 2 1 387.528 0.164 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419420459 1194023317 /nfs/dbraw/zinc/02/33/17/1194023317.db2.gz NAPOKKONPBTGPU-PKOBYXMFSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419420459 1194023320 /nfs/dbraw/zinc/02/33/20/1194023320.db2.gz NAPOKKONPBTGPU-PKOBYXMFSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419420459 1194023324 /nfs/dbraw/zinc/02/33/24/1194023324.db2.gz NAPOKKONPBTGPU-PKOBYXMFSA-N 2 1 389.544 0.453 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419422190 1194024072 /nfs/dbraw/zinc/02/40/72/1194024072.db2.gz QGWGUTLITPFVSA-LJQANCHMSA-N 2 1 387.528 0.179 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423771 1194024219 /nfs/dbraw/zinc/02/42/19/1194024219.db2.gz YZZLDLHJBIVNSW-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423771 1194024221 /nfs/dbraw/zinc/02/42/21/1194024221.db2.gz YZZLDLHJBIVNSW-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419422187 1194024371 /nfs/dbraw/zinc/02/43/71/1194024371.db2.gz QGWGUTLITPFVSA-IBGZPJMESA-N 2 1 387.528 0.179 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421323 1194024609 /nfs/dbraw/zinc/02/46/09/1194024609.db2.gz VJWRNKAWMSZARR-BPQIPLTHSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421323 1194024613 /nfs/dbraw/zinc/02/46/13/1194024613.db2.gz VJWRNKAWMSZARR-BPQIPLTHSA-N 2 1 376.501 0.636 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421302 1194024737 /nfs/dbraw/zinc/02/47/37/1194024737.db2.gz OQIGSLAQRDQLJM-QRQLOZEOSA-N 2 1 387.528 0.287 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421302 1194024740 /nfs/dbraw/zinc/02/47/40/1194024740.db2.gz OQIGSLAQRDQLJM-QRQLOZEOSA-N 2 1 387.528 0.287 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421302 1194024748 /nfs/dbraw/zinc/02/47/48/1194024748.db2.gz OQIGSLAQRDQLJM-QRQLOZEOSA-N 2 1 387.528 0.287 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427512 1194026921 /nfs/dbraw/zinc/02/69/21/1194026921.db2.gz ZBSIBXOAFLWOPK-SJLPKXTDSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419427512 1194026924 /nfs/dbraw/zinc/02/69/24/1194026924.db2.gz ZBSIBXOAFLWOPK-SJLPKXTDSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419427512 1194026927 /nfs/dbraw/zinc/02/69/27/1194026927.db2.gz ZBSIBXOAFLWOPK-SJLPKXTDSA-N 2 1 375.517 0.287 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410805 1194028712 /nfs/dbraw/zinc/02/87/12/1194028712.db2.gz GUQFEGYZZUWFMD-MOPGFXCFSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410805 1194028718 /nfs/dbraw/zinc/02/87/18/1194028718.db2.gz GUQFEGYZZUWFMD-MOPGFXCFSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411343 1194029918 /nfs/dbraw/zinc/02/99/18/1194029918.db2.gz HORVYGVZDPXSID-RTBURBONSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411343 1194029922 /nfs/dbraw/zinc/02/99/22/1194029922.db2.gz HORVYGVZDPXSID-RTBURBONSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413043 1194030718 /nfs/dbraw/zinc/03/07/18/1194030718.db2.gz KCLCXDIRUQXLGY-NZSAHSFTSA-N 2 1 390.528 0.754 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413043 1194030723 /nfs/dbraw/zinc/03/07/23/1194030723.db2.gz KCLCXDIRUQXLGY-NZSAHSFTSA-N 2 1 390.528 0.754 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419414017 1194031561 /nfs/dbraw/zinc/03/15/61/1194031561.db2.gz DRYBMDVYRKDJCT-RBUKOAKNSA-N 2 1 388.512 0.516 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419454043 1194032896 /nfs/dbraw/zinc/03/28/96/1194032896.db2.gz SRWPILJERBSGGL-ZWKOTPCHSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000419454040 1194033052 /nfs/dbraw/zinc/03/30/52/1194033052.db2.gz SRWPILJERBSGGL-ROUUACIJSA-N 2 1 387.528 0.429 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455970 1194033979 /nfs/dbraw/zinc/03/39/79/1194033979.db2.gz YMCIHCWLRGQMND-SJORKVTESA-N 2 1 375.517 0.285 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455963 1194034067 /nfs/dbraw/zinc/03/40/67/1194034067.db2.gz YKXGEQDZCLFPBT-KRWDZBQOSA-N 2 1 389.544 0.947 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419449498 1194036837 /nfs/dbraw/zinc/03/68/37/1194036837.db2.gz KANQDPWWDBZEQJ-AVRDEDQJSA-N 2 1 399.539 0.525 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419449499 1194037103 /nfs/dbraw/zinc/03/71/03/1194037103.db2.gz KANQDPWWDBZEQJ-GCJKJVERSA-N 2 1 399.539 0.525 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419451944 1194037905 /nfs/dbraw/zinc/03/79/05/1194037905.db2.gz OKIZGDGJMDIDAL-FGTMMUONSA-N 2 1 387.528 0.570 20 0 GCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419468069 1194043154 /nfs/dbraw/zinc/04/31/54/1194043154.db2.gz AQFYSPXTAKRAER-BHIYHBOVSA-N 2 1 388.512 0.508 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419502452 1194046110 /nfs/dbraw/zinc/04/61/10/1194046110.db2.gz FPRNUDPUMIHDLZ-SJLPKXTDSA-N 2 1 375.517 0.413 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504433 1194046607 /nfs/dbraw/zinc/04/66/07/1194046607.db2.gz JQKDJIAFSMGYFV-SFHVURJKSA-N 2 1 399.539 0.739 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419503841 1194046633 /nfs/dbraw/zinc/04/66/33/1194046633.db2.gz IJZJOCJBDJXETI-DYESRHJHSA-N 2 1 387.528 0.511 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000419510871 1194046900 /nfs/dbraw/zinc/04/69/00/1194046900.db2.gz WQBPKMAPQCCRLK-UHFFFAOYSA-N 2 1 392.500 0.082 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419503844 1194047047 /nfs/dbraw/zinc/04/70/47/1194047047.db2.gz IJZJOCJBDJXETI-UTKZUKDTSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507172 1194048458 /nfs/dbraw/zinc/04/84/58/1194048458.db2.gz OCUIHRBXHGWOPX-CGTJXYLNSA-N 2 1 388.512 0.854 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511797 1194050325 /nfs/dbraw/zinc/05/03/25/1194050325.db2.gz WDADZUYQDHRKKA-FGTMMUONSA-N 2 1 387.528 0.557 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419511807 1194050572 /nfs/dbraw/zinc/05/05/72/1194050572.db2.gz WDJJSZXAHYXHGA-QGZVFWFLSA-N 2 1 389.544 0.757 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513636 1194050881 /nfs/dbraw/zinc/05/08/81/1194050881.db2.gz ZQTCOZDPWSSDAA-MJGOQNOKSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419512605 1194051088 /nfs/dbraw/zinc/05/10/88/1194051088.db2.gz XJPKOCDAQVYXNC-OKZBNKHCSA-N 2 1 387.528 0.509 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511077 1194051328 /nfs/dbraw/zinc/05/13/28/1194051328.db2.gz VAUFKEZMMSGCMU-ROUUACIJSA-N 2 1 389.544 0.947 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000419515287 1194051710 /nfs/dbraw/zinc/05/17/10/1194051710.db2.gz RCDUEFMVZGICAM-BBWFWOEESA-N 2 1 392.500 0.806 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000419537400 1194055772 /nfs/dbraw/zinc/05/57/72/1194055772.db2.gz NLBRSFXIBRAUEM-AEFFLSMTSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419549314 1194057309 /nfs/dbraw/zinc/05/73/09/1194057309.db2.gz VLFCHEUAGNZLCW-SJLPKXTDSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1 ZINC000419547325 1194057638 /nfs/dbraw/zinc/05/76/38/1194057638.db2.gz RJHFSSQKIIPNLX-QYZOEREBSA-N 2 1 388.512 0.633 20 0 GCADMP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419556894 1194058508 /nfs/dbraw/zinc/05/85/08/1194058508.db2.gz LCSJODKWPAQBQI-OAGGEKHMSA-N 2 1 393.557 0.989 20 0 GCADMP C[C@H]1C[N@@H+](CCOc2ccc(CCNC(=O)C(=O)NCC[NH3+])cc2)C[C@H]1C ZINC000419583388 1194060943 /nfs/dbraw/zinc/06/09/43/1194060943.db2.gz DCAWVJMIGPBLRM-IYBDPMFKSA-N 2 1 376.501 0.387 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419563527 1194061416 /nfs/dbraw/zinc/06/14/16/1194061416.db2.gz MGMBTPJLVVWBAP-QGZVFWFLSA-N 2 1 395.548 0.117 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000419650978 1194076878 /nfs/dbraw/zinc/07/68/78/1194076878.db2.gz DDOQJCRTIHIWKX-QRQLOZEOSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419663781 1194077393 /nfs/dbraw/zinc/07/73/93/1194077393.db2.gz QPWLLHDCHPOJOX-MJGOQNOKSA-N 2 1 387.528 0.177 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419666310 1194078863 /nfs/dbraw/zinc/07/88/63/1194078863.db2.gz VZMZPFUTMXPHNG-BHIYHBOVSA-N 2 1 388.512 0.650 20 0 GCADMP COc1cc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)ccc1OCC[NH+](C)C ZINC000419693437 1194086212 /nfs/dbraw/zinc/08/62/12/1194086212.db2.gz NKUWFONLARKHNN-UHFFFAOYSA-N 2 1 378.473 0.738 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419694156 1194086371 /nfs/dbraw/zinc/08/63/71/1194086371.db2.gz ITQRBDPGQNUEAJ-QGZVFWFLSA-N 2 1 382.549 0.970 20 0 GCADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419717875 1194091619 /nfs/dbraw/zinc/09/16/19/1194091619.db2.gz CHUUAHOLXKZCPA-UHFFFAOYSA-N 2 1 380.439 0.867 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419758244 1194098294 /nfs/dbraw/zinc/09/82/94/1194098294.db2.gz JRDKZIMUUNYDJR-SOLBZPMBSA-N 2 1 376.476 0.878 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737926 1194099480 /nfs/dbraw/zinc/09/94/80/1194099480.db2.gz YJUGPAOBEJFLDA-QZTJIDSGSA-N 2 1 376.501 0.763 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419768631 1194102024 /nfs/dbraw/zinc/10/20/24/1194102024.db2.gz CTUMLGVTUUTLHO-HZPDHXFCSA-N 2 1 391.520 0.137 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419768629 1194102277 /nfs/dbraw/zinc/10/22/77/1194102277.db2.gz CTUMLGVTUUTLHO-HOTGVXAUSA-N 2 1 391.520 0.137 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000419772725 1194103014 /nfs/dbraw/zinc/10/30/14/1194103014.db2.gz ZCCNWGRKAJCPSX-MOPGFXCFSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000419800804 1194106221 /nfs/dbraw/zinc/10/62/21/1194106221.db2.gz AJGBUXOOFBVBBL-SPYBWZPUSA-N 2 1 388.512 0.766 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000419803579 1194106937 /nfs/dbraw/zinc/10/69/37/1194106937.db2.gz CUJOMNHXUKJDJF-BBWFWOEESA-N 2 1 392.500 0.888 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000419820904 1194109690 /nfs/dbraw/zinc/10/96/90/1194109690.db2.gz MUDIFNIGORZZTD-GJZGRUSLSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419809962 1194111967 /nfs/dbraw/zinc/11/19/67/1194111967.db2.gz GSVPUFLQTIVVFV-FCEWJHQRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000419809962 1194111970 /nfs/dbraw/zinc/11/19/70/1194111970.db2.gz GSVPUFLQTIVVFV-FCEWJHQRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419810418 1194112642 /nfs/dbraw/zinc/11/26/42/1194112642.db2.gz HCDYAUSFWZMEAJ-ARFHVFGLSA-N 2 1 376.501 0.718 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419850362 1194115364 /nfs/dbraw/zinc/11/53/64/1194115364.db2.gz FXLBGBJTNNPMGJ-IEBWSBKVSA-N 2 1 387.528 0.177 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419832213 1194115730 /nfs/dbraw/zinc/11/57/30/1194115730.db2.gz VMAPZRZKGFGWFE-CALCHBBNSA-N 2 1 390.528 0.980 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419832213 1194115732 /nfs/dbraw/zinc/11/57/32/1194115732.db2.gz VMAPZRZKGFGWFE-CALCHBBNSA-N 2 1 390.528 0.980 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419830903 1194115910 /nfs/dbraw/zinc/11/59/10/1194115910.db2.gz UKXSFYZEDVNWGV-ZACQAIPSSA-N 2 1 390.528 0.884 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419830903 1194115913 /nfs/dbraw/zinc/11/59/13/1194115913.db2.gz UKXSFYZEDVNWGV-ZACQAIPSSA-N 2 1 390.528 0.884 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419834925 1194117179 /nfs/dbraw/zinc/11/71/79/1194117179.db2.gz XVIJFQHLAKJKBX-FCEWJHQRSA-N 2 1 388.512 0.732 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419834925 1194117181 /nfs/dbraw/zinc/11/71/81/1194117181.db2.gz XVIJFQHLAKJKBX-FCEWJHQRSA-N 2 1 388.512 0.732 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000419853101 1194120758 /nfs/dbraw/zinc/12/07/58/1194120758.db2.gz MOWKREROXMPOKH-KRWDZBQOSA-N 2 1 391.516 0.253 20 0 GCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000419853105 1194120806 /nfs/dbraw/zinc/12/08/06/1194120806.db2.gz MOWKREROXMPOKH-QGZVFWFLSA-N 2 1 391.516 0.253 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419854173 1194121492 /nfs/dbraw/zinc/12/14/92/1194121492.db2.gz BIGMBBFHHSGRFD-DAYGRLMNSA-N 2 1 380.533 0.578 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419859071 1194123408 /nfs/dbraw/zinc/12/34/08/1194123408.db2.gz YCJLOFPQOMCERW-HNNXBMFYSA-N 2 1 393.557 0.022 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419859071 1194123411 /nfs/dbraw/zinc/12/34/11/1194123411.db2.gz YCJLOFPQOMCERW-HNNXBMFYSA-N 2 1 393.557 0.022 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419862056 1194124438 /nfs/dbraw/zinc/12/44/38/1194124438.db2.gz CKTDLNKDDMHAOK-OQSMONGASA-N 2 1 379.549 0.390 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419863710 1194125680 /nfs/dbraw/zinc/12/56/80/1194125680.db2.gz IBGFZKPUSUGMKU-IEBWSBKVSA-N 2 1 387.528 0.035 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000419874176 1194129098 /nfs/dbraw/zinc/12/90/98/1194129098.db2.gz NHBVIPZOJSFBBN-WDSOQIARSA-N 2 1 386.496 0.564 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419878241 1194130106 /nfs/dbraw/zinc/13/01/06/1194130106.db2.gz FZPYTLOIQQMANF-NTDBWNAOSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419877055 1194130308 /nfs/dbraw/zinc/13/03/08/1194130308.db2.gz WLWLYOPRHJWJEO-OALUTQOASA-N 2 1 393.576 0.511 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419884514 1194133004 /nfs/dbraw/zinc/13/30/04/1194133004.db2.gz NZIJOBUAEVSBCB-GOSISDBHSA-N 2 1 387.528 0.131 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419894833 1194135187 /nfs/dbraw/zinc/13/51/87/1194135187.db2.gz RJCVWVRMBZTPJP-UHOSZYNNSA-N 2 1 393.576 0.650 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419894827 1194135219 /nfs/dbraw/zinc/13/52/19/1194135219.db2.gz RJCVWVRMBZTPJP-QRQLOZEOSA-N 2 1 393.576 0.650 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419896986 1194135924 /nfs/dbraw/zinc/13/59/24/1194135924.db2.gz VEJHSLSZXOOMQJ-ROUUACIJSA-N 2 1 381.565 0.508 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419918605 1194138720 /nfs/dbraw/zinc/13/87/20/1194138720.db2.gz UQFIOVODNWPJLR-QGZVFWFLSA-N 2 1 388.512 0.845 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419918605 1194138721 /nfs/dbraw/zinc/13/87/21/1194138721.db2.gz UQFIOVODNWPJLR-QGZVFWFLSA-N 2 1 388.512 0.845 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000419908126 1194140869 /nfs/dbraw/zinc/14/08/69/1194140869.db2.gz YFESZVYUAHEDPP-RBUKOAKNSA-N 2 1 388.512 0.810 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419909906 1194142342 /nfs/dbraw/zinc/14/23/42/1194142342.db2.gz ZOEVMGCUICNFRC-WKULXVSPSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419909906 1194142345 /nfs/dbraw/zinc/14/23/45/1194142345.db2.gz ZOEVMGCUICNFRC-WKULXVSPSA-N 2 1 380.533 0.591 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419958171 1194144639 /nfs/dbraw/zinc/14/46/39/1194144639.db2.gz UUKAAZXJTKTTNE-KRWDZBQOSA-N 2 1 375.517 0.239 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419980591 1194151904 /nfs/dbraw/zinc/15/19/04/1194151904.db2.gz RANAVTOFHPABOK-ROUUACIJSA-N 2 1 375.517 0.994 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419980583 1194151983 /nfs/dbraw/zinc/15/19/83/1194151983.db2.gz RAARNEXFXJOKRX-JZXOWHBKSA-N 2 1 382.549 0.824 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420044042 1194167206 /nfs/dbraw/zinc/16/72/06/1194167206.db2.gz OZLPTOVYWODBGB-UKBAYJJMSA-N 2 1 394.560 0.968 20 0 GCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000420052583 1194170426 /nfs/dbraw/zinc/17/04/26/1194170426.db2.gz IFFKBVFZPROKKN-KRWDZBQOSA-N 2 1 380.533 0.596 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420097681 1194177247 /nfs/dbraw/zinc/17/72/47/1194177247.db2.gz IGWORNXUAQLBQW-HNNXBMFYSA-N 2 1 386.496 0.618 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420102538 1194178161 /nfs/dbraw/zinc/17/81/61/1194178161.db2.gz PWSXKZUAYNOORS-NRFANRHFSA-N 2 1 390.528 0.716 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1CCOC ZINC000420107672 1194180276 /nfs/dbraw/zinc/18/02/76/1194180276.db2.gz WMXTWAPRUJNDKO-IBGZPJMESA-N 2 1 388.512 0.865 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1CCOC ZINC000420107672 1194180280 /nfs/dbraw/zinc/18/02/80/1194180280.db2.gz WMXTWAPRUJNDKO-IBGZPJMESA-N 2 1 388.512 0.865 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420114100 1194182570 /nfs/dbraw/zinc/18/25/70/1194182570.db2.gz FPTJGXVGXKETNX-ZJPYXAASSA-N 2 1 379.549 0.260 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000420119137 1194187319 /nfs/dbraw/zinc/18/73/19/1194187319.db2.gz IXXWYCQFVOCHQB-MSOLQXFVSA-N 2 1 387.528 0.524 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420157212 1194190812 /nfs/dbraw/zinc/19/08/12/1194190812.db2.gz GEGOGPGCHNPGIX-IAGOWNOFSA-N 2 1 382.549 0.840 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420157212 1194190814 /nfs/dbraw/zinc/19/08/14/1194190814.db2.gz GEGOGPGCHNPGIX-IAGOWNOFSA-N 2 1 382.549 0.840 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420160738 1194191404 /nfs/dbraw/zinc/19/14/04/1194191404.db2.gz VICDYFIBZLWRMO-BHIYHBOVSA-N 2 1 395.592 0.896 20 0 GCADMP C[C@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000420149191 1194194002 /nfs/dbraw/zinc/19/40/02/1194194002.db2.gz HNZWQRZXIZUVMP-STQMWFEESA-N 2 1 376.448 0.044 20 0 GCADMP C[C@@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@@H](C)O1 ZINC000420177553 1194195337 /nfs/dbraw/zinc/19/53/37/1194195337.db2.gz SETXBCQHIWHAID-ZIAGYGMSSA-N 2 1 390.475 0.435 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000501584365 1194195689 /nfs/dbraw/zinc/19/56/89/1194195689.db2.gz LALLWXKRJIJIFZ-ULQDDVLXSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000501584365 1194195692 /nfs/dbraw/zinc/19/56/92/1194195692.db2.gz LALLWXKRJIJIFZ-ULQDDVLXSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420178967 1194195943 /nfs/dbraw/zinc/19/59/43/1194195943.db2.gz BKOOMHRUCXSPAX-ZHALLVOQSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420178967 1194195944 /nfs/dbraw/zinc/19/59/44/1194195944.db2.gz BKOOMHRUCXSPAX-ZHALLVOQSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NC[C@H]3[NH2+]CCCC3(C)C)CC2)CCO1 ZINC000420164444 1194199142 /nfs/dbraw/zinc/19/91/42/1194199142.db2.gz LYPVRBYDMBLUEP-NVXWUHKLSA-N 2 1 380.533 0.593 20 0 GCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000982931350 1194199436 /nfs/dbraw/zinc/19/94/36/1194199436.db2.gz YHQLZEKVOGOTFQ-VDHUWJSZSA-N 2 1 391.516 0.511 20 0 GCADMP CCO[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000982931350 1194199439 /nfs/dbraw/zinc/19/94/39/1194199439.db2.gz YHQLZEKVOGOTFQ-VDHUWJSZSA-N 2 1 391.516 0.511 20 0 GCADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420172110 1194200672 /nfs/dbraw/zinc/20/06/72/1194200672.db2.gz SYBAQWYLXPPYRY-YRISNDGFSA-N 2 1 388.512 0.339 20 0 GCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420198994 1194202520 /nfs/dbraw/zinc/20/25/20/1194202520.db2.gz MYRIHKUXCMUVJN-RBUKOAKNSA-N 2 1 388.512 0.462 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000501593355 1194205759 /nfs/dbraw/zinc/20/57/59/1194205759.db2.gz GANHHYXZWLXWOI-KRWDZBQOSA-N 2 1 378.517 0.158 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1)CC1CC1 ZINC000420187764 1194206313 /nfs/dbraw/zinc/20/63/13/1194206313.db2.gz BXLRIFQAAVKNFQ-SFHVURJKSA-N 2 1 380.533 0.452 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420194304 1194208412 /nfs/dbraw/zinc/20/84/12/1194208412.db2.gz JRTSRYMVSDUAPW-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420194304 1194208417 /nfs/dbraw/zinc/20/84/17/1194208417.db2.gz JRTSRYMVSDUAPW-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420222850 1194210587 /nfs/dbraw/zinc/21/05/87/1194210587.db2.gz TZMKSTNCLVRTIQ-FGTMMUONSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611527 1194211692 /nfs/dbraw/zinc/21/16/92/1194211692.db2.gz IYFNHWZIOLKOEA-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611527 1194211694 /nfs/dbraw/zinc/21/16/94/1194211694.db2.gz IYFNHWZIOLKOEA-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501611527 1194211696 /nfs/dbraw/zinc/21/16/96/1194211696.db2.gz IYFNHWZIOLKOEA-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501611527 1194211698 /nfs/dbraw/zinc/21/16/98/1194211698.db2.gz IYFNHWZIOLKOEA-FUHWJXTLSA-N 2 1 394.560 0.671 20 0 GCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000501613993 1194213541 /nfs/dbraw/zinc/21/35/41/1194213541.db2.gz SMAHBNLVVAIZPW-SFHVURJKSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000501613993 1194213545 /nfs/dbraw/zinc/21/35/45/1194213545.db2.gz SMAHBNLVVAIZPW-SFHVURJKSA-N 2 1 392.544 0.690 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619565 1194214663 /nfs/dbraw/zinc/21/46/63/1194214663.db2.gz CCCAJQWVROXVJI-PKOBYXMFSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000501619565 1194214666 /nfs/dbraw/zinc/21/46/66/1194214666.db2.gz CCCAJQWVROXVJI-PKOBYXMFSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000501619565 1194214669 /nfs/dbraw/zinc/21/46/69/1194214669.db2.gz CCCAJQWVROXVJI-PKOBYXMFSA-N 2 1 394.560 0.984 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501634551 1194216278 /nfs/dbraw/zinc/21/62/78/1194216278.db2.gz DNJMGCNNQCBWMZ-ZWKOTPCHSA-N 2 1 394.560 0.794 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641331 1194217333 /nfs/dbraw/zinc/21/73/33/1194217333.db2.gz QYSLSQWPDMOGRX-XYJFISCASA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641331 1194217338 /nfs/dbraw/zinc/21/73/38/1194217338.db2.gz QYSLSQWPDMOGRX-XYJFISCASA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641331 1194217342 /nfs/dbraw/zinc/21/73/42/1194217342.db2.gz QYSLSQWPDMOGRX-XYJFISCASA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H]1C ZINC000501641331 1194217346 /nfs/dbraw/zinc/21/73/46/1194217346.db2.gz QYSLSQWPDMOGRX-XYJFISCASA-N 2 1 380.533 0.281 20 0 GCADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@@H](C(N)=O)C2)CC1 ZINC000501807514 1194230798 /nfs/dbraw/zinc/23/07/98/1194230798.db2.gz XWKUPEDIJHYVRI-GOSISDBHSA-N 2 1 382.549 0.781 20 0 GCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000434124417 1194231862 /nfs/dbraw/zinc/23/18/62/1194231862.db2.gz OHXOSPHKCVWCOU-MRXNPFEDSA-N 2 1 383.537 0.326 20 0 GCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000434124417 1194231866 /nfs/dbraw/zinc/23/18/66/1194231866.db2.gz OHXOSPHKCVWCOU-MRXNPFEDSA-N 2 1 383.537 0.326 20 0 GCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434124417 1194231869 /nfs/dbraw/zinc/23/18/69/1194231869.db2.gz OHXOSPHKCVWCOU-MRXNPFEDSA-N 2 1 383.537 0.326 20 0 GCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434124417 1194231873 /nfs/dbraw/zinc/23/18/73/1194231873.db2.gz OHXOSPHKCVWCOU-MRXNPFEDSA-N 2 1 383.537 0.326 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000421125054 1194297008 /nfs/dbraw/zinc/29/70/08/1194297008.db2.gz GONHZRRHRPTCNV-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000421125054 1194297013 /nfs/dbraw/zinc/29/70/13/1194297013.db2.gz GONHZRRHRPTCNV-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652726110 1194339788 /nfs/dbraw/zinc/33/97/88/1194339788.db2.gz GTOAMZYZKAYAQF-KSZLIROESA-N 2 1 380.533 0.532 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652727396 1194362696 /nfs/dbraw/zinc/36/26/96/1194362696.db2.gz POKIRYIEQKRMMS-WNRNVDISSA-N 2 1 380.533 0.532 20 0 GCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549956091 1194365562 /nfs/dbraw/zinc/36/55/62/1194365562.db2.gz JJOZOVBBVACQRB-UHFFFAOYSA-N 2 1 394.560 0.938 20 0 GCADMP CC[NH+](CC(=O)N1CCC(O)(CNC(=O)C[N@H+](CC)C2CC2)CC1)C1CC1 ZINC000421894500 1194371183 /nfs/dbraw/zinc/37/11/83/1194371183.db2.gz WVIWLXBLWNJCJU-UHFFFAOYSA-N 2 1 380.533 0.425 20 0 GCADMP CC[NH+](CC(=O)NCC1(O)CCN(C(=O)C[N@H+](CC)C2CC2)CC1)C1CC1 ZINC000421894500 1194371187 /nfs/dbraw/zinc/37/11/87/1194371187.db2.gz WVIWLXBLWNJCJU-UHFFFAOYSA-N 2 1 380.533 0.425 20 0 GCADMP CC[NH+](CC(=O)NCC1(O)CCN(C(=O)C[N@@H+](CC)C2CC2)CC1)C1CC1 ZINC000421894500 1194371190 /nfs/dbraw/zinc/37/11/90/1194371190.db2.gz WVIWLXBLWNJCJU-UHFFFAOYSA-N 2 1 380.533 0.425 20 0 GCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000272468740 1194463933 /nfs/dbraw/zinc/46/39/33/1194463933.db2.gz PURUZROCRZKZPQ-ROUUACIJSA-N 2 1 387.532 0.724 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@H]2C1 ZINC000272468740 1194463935 /nfs/dbraw/zinc/46/39/35/1194463935.db2.gz PURUZROCRZKZPQ-ROUUACIJSA-N 2 1 387.532 0.724 20 0 GCADMP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000272838850 1194508782 /nfs/dbraw/zinc/50/87/82/1194508782.db2.gz JGCHOZNWDKUOBO-HNNXBMFYSA-N 2 1 390.484 0.944 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000273071785 1194536682 /nfs/dbraw/zinc/53/66/82/1194536682.db2.gz ZYVXUNCVLBQDKC-GOSISDBHSA-N 2 1 376.501 0.509 20 0 GCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422283266 1194596711 /nfs/dbraw/zinc/59/67/11/1194596711.db2.gz MNDFKTFQXQKKDD-UHFFFAOYSA-N 2 1 395.592 0.853 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414654826 1194622742 /nfs/dbraw/zinc/62/27/42/1194622742.db2.gz CPJWPKMTXNJGKP-QGZVFWFLSA-N 2 1 378.473 0.436 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000422393651 1194634311 /nfs/dbraw/zinc/63/43/11/1194634311.db2.gz FLRRHXLYSVPVRO-INIZCTEOSA-N 2 1 377.489 0.191 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000414658023 1194641071 /nfs/dbraw/zinc/64/10/71/1194641071.db2.gz IUYSEYSMAOHYRE-KRWDZBQOSA-N 2 1 390.484 0.580 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000422628865 1194678294 /nfs/dbraw/zinc/67/82/94/1194678294.db2.gz VNFAKAKCOWDZHO-DAWZGUTISA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1CCOC ZINC000422628865 1194678296 /nfs/dbraw/zinc/67/82/96/1194678296.db2.gz VNFAKAKCOWDZHO-DAWZGUTISA-N 2 1 382.549 0.935 20 0 GCADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422638138 1194680241 /nfs/dbraw/zinc/68/02/41/1194680241.db2.gz PVIQURLXLXVOJS-FMKPAKJESA-N 2 1 382.530 0.298 20 0 GCADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422638138 1194680260 /nfs/dbraw/zinc/68/02/60/1194680260.db2.gz PVIQURLXLXVOJS-FMKPAKJESA-N 2 1 382.530 0.298 20 0 GCADMP C[NH+]1C[C@@H]2CCCN(c3nc(C(N)=O)cc(N4CCC[C@H]5C[N@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000894274752 1194693436 /nfs/dbraw/zinc/69/34/36/1194693436.db2.gz BFRSIWFZYQZGPI-CWLKWCNXSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1C[C@@H]2CCCN(c3cc(C(N)=O)nc(N4CCC[C@H]5C[N@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000894274752 1194693438 /nfs/dbraw/zinc/69/34/38/1194693438.db2.gz BFRSIWFZYQZGPI-CWLKWCNXSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1C[C@@H]2CCCN(c3cc(C(N)=O)nc(N4CCC[C@H]5C[N@@H+](C)C[C@H]54)n3)[C@@H]2C1 ZINC000894274752 1194693440 /nfs/dbraw/zinc/69/34/40/1194693440.db2.gz BFRSIWFZYQZGPI-CWLKWCNXSA-N 2 1 399.543 0.636 20 0 GCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC000423038788 1194720941 /nfs/dbraw/zinc/72/09/41/1194720941.db2.gz PBILKXSKBCHFCT-SLFFLAALSA-N 2 1 384.524 0.959 20 0 GCADMP CCN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423060848 1194722972 /nfs/dbraw/zinc/72/29/72/1194722972.db2.gz PJDDTZNRYOSYGG-MOPGFXCFSA-N 2 1 388.512 0.686 20 0 GCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423102868 1194727715 /nfs/dbraw/zinc/72/77/15/1194727715.db2.gz AFPMSCXASREPLT-HOTGVXAUSA-N 2 1 376.526 0.503 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423115763 1194727755 /nfs/dbraw/zinc/72/77/55/1194727755.db2.gz ODKNQENHHWXSHB-HZPDHXFCSA-N 2 1 376.526 0.503 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC1 ZINC000423103956 1194729769 /nfs/dbraw/zinc/72/97/69/1194729769.db2.gz BAOGPBRJVDWBGQ-UHFFFAOYSA-N 2 1 378.542 0.893 20 0 GCADMP CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423142714 1194733433 /nfs/dbraw/zinc/73/34/33/1194733433.db2.gz BINGFWFELKOCLZ-OALUTQOASA-N 2 1 388.512 0.686 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423163785 1194734416 /nfs/dbraw/zinc/73/44/16/1194734416.db2.gz NJAKHHFCKBOTBN-ROUUACIJSA-N 2 1 389.500 0.081 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423163776 1194734518 /nfs/dbraw/zinc/73/45/18/1194734518.db2.gz NICBUUWEXXDIQS-XUVXKRRUSA-N 2 1 399.539 0.962 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423163783 1194734694 /nfs/dbraw/zinc/73/46/94/1194734694.db2.gz NJAKHHFCKBOTBN-MSOLQXFVSA-N 2 1 389.500 0.081 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423166635 1194735167 /nfs/dbraw/zinc/73/51/67/1194735167.db2.gz RJOKXHMBGOWLKD-VAMGGRTRSA-N 2 1 399.539 0.962 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000423185918 1194737995 /nfs/dbraw/zinc/73/79/95/1194737995.db2.gz KGCBXYUPVQTJQS-ZJPYXAASSA-N 2 1 382.549 0.918 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC000423191786 1194738214 /nfs/dbraw/zinc/73/82/14/1194738214.db2.gz TYUXIHHEFDHSJL-KURKYZTESA-N 2 1 392.544 0.689 20 0 GCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423220912 1194741465 /nfs/dbraw/zinc/74/14/65/1194741465.db2.gz YVFCCPGRHDKZTM-KSZLIROESA-N 2 1 393.576 0.589 20 0 GCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423280396 1194745738 /nfs/dbraw/zinc/74/57/38/1194745738.db2.gz UBNOCFFOYNOSIG-SFHVURJKSA-N 2 1 391.560 0.217 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000423373373 1194750673 /nfs/dbraw/zinc/75/06/73/1194750673.db2.gz BRLIFTSVWKGIFG-FUHWJXTLSA-N 2 1 392.544 0.546 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC[N@@H+]1C ZINC000423374167 1194750681 /nfs/dbraw/zinc/75/06/81/1194750681.db2.gz HXEDTEMGVLVTOR-OKZBNKHCSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC[N@H+]1C ZINC000423374167 1194750683 /nfs/dbraw/zinc/75/06/83/1194750683.db2.gz HXEDTEMGVLVTOR-OKZBNKHCSA-N 2 1 380.533 0.530 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423386647 1194752715 /nfs/dbraw/zinc/75/27/15/1194752715.db2.gz MDYGEDCWEAILAT-ZHALLVOQSA-N 2 1 388.512 0.684 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423386647 1194752719 /nfs/dbraw/zinc/75/27/19/1194752719.db2.gz MDYGEDCWEAILAT-ZHALLVOQSA-N 2 1 388.512 0.684 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423404908 1194754732 /nfs/dbraw/zinc/75/47/32/1194754732.db2.gz XXCKGUQRHPBKCN-OALUTQOASA-N 2 1 399.539 0.335 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000423442403 1194755388 /nfs/dbraw/zinc/75/53/88/1194755388.db2.gz BSAXIIPJBGBTEE-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000423442403 1194755390 /nfs/dbraw/zinc/75/53/90/1194755390.db2.gz BSAXIIPJBGBTEE-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000423443978 1194755749 /nfs/dbraw/zinc/75/57/49/1194755749.db2.gz LELFZPVKNDPGCH-OALUTQOASA-N 2 1 394.560 0.794 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000423439136 1194757540 /nfs/dbraw/zinc/75/75/40/1194757540.db2.gz HMGXZCRHJKSTRJ-NRFANRHFSA-N 2 1 394.560 0.795 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423459893 1194757891 /nfs/dbraw/zinc/75/78/91/1194757891.db2.gz AEZJUTONHHBHJI-GOSISDBHSA-N 2 1 380.533 0.533 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000423533171 1194761933 /nfs/dbraw/zinc/76/19/33/1194761933.db2.gz WYPGIXGIWLSNBD-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000423533171 1194761934 /nfs/dbraw/zinc/76/19/34/1194761934.db2.gz WYPGIXGIWLSNBD-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[N@@H+]1CCOC ZINC000423519186 1194762655 /nfs/dbraw/zinc/76/26/55/1194762655.db2.gz DAIJFGLHPQUDEP-XWTMOSNGSA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC[N@H+]1CCOC ZINC000423519186 1194762657 /nfs/dbraw/zinc/76/26/57/1194762657.db2.gz DAIJFGLHPQUDEP-XWTMOSNGSA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423520124 1194762733 /nfs/dbraw/zinc/76/27/33/1194762733.db2.gz DSCXLDFEPRANJZ-OALUTQOASA-N 2 1 388.512 0.686 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423520124 1194762735 /nfs/dbraw/zinc/76/27/35/1194762735.db2.gz DSCXLDFEPRANJZ-OALUTQOASA-N 2 1 388.512 0.686 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423527662 1194763438 /nfs/dbraw/zinc/76/34/38/1194763438.db2.gz MKODOAQPTODQIE-BHIYHBOVSA-N 2 1 393.576 0.732 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423593512 1194774660 /nfs/dbraw/zinc/77/46/60/1194774660.db2.gz MHYYIXAXMGYIDS-RXVVDRJESA-N 2 1 388.512 0.292 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[C@@H](C[NH3+])C1 ZINC000423628631 1194775388 /nfs/dbraw/zinc/77/53/88/1194775388.db2.gz AOJAIDOSNJXPAD-CVEARBPZSA-N 2 1 380.489 0.525 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000423623324 1194777916 /nfs/dbraw/zinc/77/79/16/1194777916.db2.gz OEKGCWAYUFRSPN-WIYYLYMNSA-N 2 1 388.512 0.422 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000423669206 1194782412 /nfs/dbraw/zinc/78/24/12/1194782412.db2.gz RTCCNJZLPNCMSR-INIZCTEOSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000423669206 1194782413 /nfs/dbraw/zinc/78/24/13/1194782413.db2.gz RTCCNJZLPNCMSR-INIZCTEOSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000423670276 1194782913 /nfs/dbraw/zinc/78/29/13/1194782913.db2.gz MGCSEVKOZHAURM-CALCHBBNSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C[C@H](C)[N@@H+]1CCO ZINC000423670276 1194782915 /nfs/dbraw/zinc/78/29/15/1194782915.db2.gz MGCSEVKOZHAURM-CALCHBBNSA-N 2 1 376.501 0.278 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423699522 1194783894 /nfs/dbraw/zinc/78/38/94/1194783894.db2.gz RGTWJXLYHAFGGE-MOPGFXCFSA-N 2 1 399.539 0.620 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423680882 1194785081 /nfs/dbraw/zinc/78/50/81/1194785081.db2.gz LPDXUEIUTNESAQ-UHFFFAOYSA-N 3 1 389.544 0.458 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423680882 1194785083 /nfs/dbraw/zinc/78/50/83/1194785083.db2.gz LPDXUEIUTNESAQ-UHFFFAOYSA-N 3 1 389.544 0.458 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000423684121 1194785421 /nfs/dbraw/zinc/78/54/21/1194785421.db2.gz XEAIPFHTZNOOJE-QGZVFWFLSA-N 2 1 390.528 0.668 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC[N@H+]1CC(C)(C)O ZINC000423684121 1194785422 /nfs/dbraw/zinc/78/54/22/1194785422.db2.gz XEAIPFHTZNOOJE-QGZVFWFLSA-N 2 1 390.528 0.668 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)[C@H](C[NH3+])C1 ZINC000423683044 1194785464 /nfs/dbraw/zinc/78/54/64/1194785464.db2.gz WIZONSROPWIARH-JKSUJKDBSA-N 2 1 394.541 0.400 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)[C@@H](C[NH3+])C1 ZINC000423684924 1194785641 /nfs/dbraw/zinc/78/56/41/1194785641.db2.gz XZJQAWJUHGIGND-CVEARBPZSA-N 2 1 375.473 0.003 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423685830 1194785989 /nfs/dbraw/zinc/78/59/89/1194785989.db2.gz VJJJRAQQBIQHON-IAGOWNOFSA-N 2 1 395.548 0.165 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000423685368 1194786066 /nfs/dbraw/zinc/78/60/66/1194786066.db2.gz XZJQAWJUHGIGND-JKSUJKDBSA-N 2 1 375.473 0.003 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688672 1194786324 /nfs/dbraw/zinc/78/63/24/1194786324.db2.gz BMWJHAODMVFZHB-NQIIRXRSSA-N 2 1 386.496 0.297 20 0 GCADMP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)[C@@H](C)[NH3+] ZINC000423740207 1194792801 /nfs/dbraw/zinc/79/28/01/1194792801.db2.gz IQBYUSYHHDTEMG-VQIMIIECSA-N 2 1 381.565 0.303 20 0 GCADMP C[C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000424068518 1194800530 /nfs/dbraw/zinc/80/05/30/1194800530.db2.gz IABBWJGBJXZTGS-XDNAFOTISA-N 2 1 380.533 0.532 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424441637 1194811738 /nfs/dbraw/zinc/81/17/38/1194811738.db2.gz UFDJKUYRNWXAJP-UHFFFAOYSA-N 2 1 389.500 0.499 20 0 GCADMP CCC(CC)[C@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000424450883 1194812594 /nfs/dbraw/zinc/81/25/94/1194812594.db2.gz BRYPJLUDLXINTE-OTWHNJEPSA-N 2 1 392.548 0.993 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424491746 1194816710 /nfs/dbraw/zinc/81/67/10/1194816710.db2.gz FNAZBGMKGPOCQI-IAGOWNOFSA-N 2 1 380.533 0.546 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424491746 1194816713 /nfs/dbraw/zinc/81/67/13/1194816713.db2.gz FNAZBGMKGPOCQI-IAGOWNOFSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[NH2+]CC2 ZINC000424493653 1194817235 /nfs/dbraw/zinc/81/72/35/1194817235.db2.gz LJWRFQQQFWVWPF-KRWDZBQOSA-N 2 1 381.565 0.319 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[NH2+]CC2 ZINC000424493653 1194817237 /nfs/dbraw/zinc/81/72/37/1194817237.db2.gz LJWRFQQQFWVWPF-KRWDZBQOSA-N 2 1 381.565 0.319 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000424495173 1194817507 /nfs/dbraw/zinc/81/75/07/1194817507.db2.gz PPFAYQUBZWOTRL-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000424494172 1194817664 /nfs/dbraw/zinc/81/76/64/1194817664.db2.gz MTWSABQXCGEEBF-QGZVFWFLSA-N 2 1 394.560 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C1 ZINC000424504653 1194818776 /nfs/dbraw/zinc/81/87/76/1194818776.db2.gz JWJSEUMTOKIOLK-SJORKVTESA-N 2 1 380.533 0.450 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424528246 1194819238 /nfs/dbraw/zinc/81/92/38/1194819238.db2.gz UCJPUFFOGQGERS-VQTJNVASSA-N 2 1 399.539 0.131 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CC[NH2+]CC2 ZINC000424509818 1194819312 /nfs/dbraw/zinc/81/93/12/1194819312.db2.gz QTBRSFLIPMOORI-IAGOWNOFSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424534196 1194819889 /nfs/dbraw/zinc/81/98/89/1194819889.db2.gz ZDNDTVFYGCAHEW-CIRFHOKZSA-N 2 1 390.532 0.157 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424518236 1194821341 /nfs/dbraw/zinc/82/13/41/1194821341.db2.gz HOKWXSWDBYTMJA-MSOLQXFVSA-N 2 1 393.576 0.367 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@@H]1C ZINC000424550660 1194823926 /nfs/dbraw/zinc/82/39/26/1194823926.db2.gz TVKLIORFJSDXAW-QSPRXWTASA-N 2 1 376.505 0.004 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998499 1194835054 /nfs/dbraw/zinc/83/50/54/1194835054.db2.gz IREXBDDIFILVER-ZWKOTPCHSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1=O ZINC000424998499 1194835056 /nfs/dbraw/zinc/83/50/56/1194835056.db2.gz IREXBDDIFILVER-ZWKOTPCHSA-N 2 1 394.560 0.888 20 0 GCADMP CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817702 1194837591 /nfs/dbraw/zinc/83/75/91/1194837591.db2.gz NBSJWHWUGIOCHP-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC1 ZINC000434354772 1194841520 /nfs/dbraw/zinc/84/15/20/1194841520.db2.gz KESQTOBIEFNGNY-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000514141508 1194853341 /nfs/dbraw/zinc/85/33/41/1194853341.db2.gz GCTZZUNIWXCUKB-KDURUIRLSA-N 2 1 396.576 0.741 20 0 GCADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000514141508 1194853345 /nfs/dbraw/zinc/85/33/45/1194853345.db2.gz GCTZZUNIWXCUKB-KDURUIRLSA-N 2 1 396.576 0.741 20 0 GCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC(=O)N3CCN(C)CC3)CC2)C[C@H](C)O1 ZINC000514141509 1194853461 /nfs/dbraw/zinc/85/34/61/1194853461.db2.gz GCTZZUNIWXCUKB-OALUTQOASA-N 2 1 396.576 0.741 20 0 GCADMP O=C(C[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000434724789 1194864362 /nfs/dbraw/zinc/86/43/62/1194864362.db2.gz HIKVCJVFEONBOJ-IBGZPJMESA-N 2 1 378.517 0.081 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@@H]3CSCC[NH2+]3)cc2)CC1 ZINC000434860546 1194874877 /nfs/dbraw/zinc/87/48/77/1194874877.db2.gz HDUZBUQQPOMGBR-QGZVFWFLSA-N 2 1 376.526 0.786 20 0 GCADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000505581596 1194880451 /nfs/dbraw/zinc/88/04/51/1194880451.db2.gz NYWQBEHJTSTKCF-GHTZIAJQSA-N 2 1 392.544 0.644 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000505581596 1194880454 /nfs/dbraw/zinc/88/04/54/1194880454.db2.gz NYWQBEHJTSTKCF-GHTZIAJQSA-N 2 1 392.544 0.644 20 0 GCADMP C[NH+](CCN1CCOCC1)Cc1cncc(C[N@@H+](C)CCN2CCOCC2)c1 ZINC000514653627 1194891184 /nfs/dbraw/zinc/89/11/84/1194891184.db2.gz ZXVRHURMOMRLMD-UHFFFAOYSA-N 2 1 391.560 0.610 20 0 GCADMP [NH3+]CCOc1ccc(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 ZINC000514727997 1194900485 /nfs/dbraw/zinc/90/04/85/1194900485.db2.gz ARDYTXUEVPNSHL-GOSISDBHSA-N 2 1 390.484 0.676 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000514791538 1194909426 /nfs/dbraw/zinc/90/94/26/1194909426.db2.gz SBUYIBKQLVDQBE-HKUYNNGSSA-N 2 1 394.560 0.935 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000514791540 1194909671 /nfs/dbraw/zinc/90/96/71/1194909671.db2.gz SBUYIBKQLVDQBE-MJGOQNOKSA-N 2 1 394.560 0.935 20 0 GCADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322869 1194914568 /nfs/dbraw/zinc/91/45/68/1194914568.db2.gz UFOXHKSJZQUHSU-HOTGVXAUSA-N 2 1 377.489 0.049 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322869 1194914569 /nfs/dbraw/zinc/91/45/69/1194914569.db2.gz UFOXHKSJZQUHSU-HOTGVXAUSA-N 2 1 377.489 0.049 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)C2C[NH+](C3CCCCC3)C2)CC1=O ZINC000425327728 1194916622 /nfs/dbraw/zinc/91/66/22/1194916622.db2.gz ZXSHEWHZLRRMOH-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP O=C(C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000514930766 1194929973 /nfs/dbraw/zinc/92/99/73/1194929973.db2.gz VNXVVJXPQHIGCB-KSZLIROESA-N 2 1 378.517 0.015 20 0 GCADMP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387788 1194935880 /nfs/dbraw/zinc/93/58/80/1194935880.db2.gz NTCFSSVTQJSBMJ-XCDZQEORSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387788 1194935882 /nfs/dbraw/zinc/93/58/82/1194935882.db2.gz NTCFSSVTQJSBMJ-XCDZQEORSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387788 1194935883 /nfs/dbraw/zinc/93/58/83/1194935883.db2.gz NTCFSSVTQJSBMJ-XCDZQEORSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387788 1194935884 /nfs/dbraw/zinc/93/58/84/1194935884.db2.gz NTCFSSVTQJSBMJ-XCDZQEORSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)N1CCO ZINC000514999964 1194936045 /nfs/dbraw/zinc/93/60/45/1194936045.db2.gz QKABKTQTFHHELK-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@H+]1CCO ZINC000514999964 1194936048 /nfs/dbraw/zinc/93/60/48/1194936048.db2.gz QKABKTQTFHHELK-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000514999964 1194936051 /nfs/dbraw/zinc/93/60/51/1194936051.db2.gz QKABKTQTFHHELK-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999964 1194936052 /nfs/dbraw/zinc/93/60/52/1194936052.db2.gz QKABKTQTFHHELK-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999964 1194936055 /nfs/dbraw/zinc/93/60/55/1194936055.db2.gz QKABKTQTFHHELK-SFNKJDCFSA-N 2 1 392.544 0.375 20 0 GCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000425390623 1194941098 /nfs/dbraw/zinc/94/10/98/1194941098.db2.gz RBBKUSDGIGASAT-OKZBNKHCSA-N 2 1 378.517 0.110 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)c1 ZINC000425389980 1194941761 /nfs/dbraw/zinc/94/17/61/1194941761.db2.gz QCJSQABTYLXAJB-DOTOQJQBSA-N 2 1 387.484 0.291 20 0 GCADMP C[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000515047766 1194943641 /nfs/dbraw/zinc/94/36/41/1194943641.db2.gz SEJZYHDRNLCLCH-IBGZPJMESA-N 2 1 387.528 0.972 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@@H+]1CCOC ZINC000425398553 1194951439 /nfs/dbraw/zinc/95/14/39/1194951439.db2.gz IJFYZKWNCNIRST-RCCFBDPRSA-N 2 1 380.533 0.498 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CC[N@H+]1CCOC ZINC000425398553 1194951441 /nfs/dbraw/zinc/95/14/41/1194951441.db2.gz IJFYZKWNCNIRST-RCCFBDPRSA-N 2 1 380.533 0.498 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000425398553 1194951442 /nfs/dbraw/zinc/95/14/42/1194951442.db2.gz IJFYZKWNCNIRST-RCCFBDPRSA-N 2 1 380.533 0.498 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[NH+]1CCOC ZINC000425398553 1194951444 /nfs/dbraw/zinc/95/14/44/1194951444.db2.gz IJFYZKWNCNIRST-RCCFBDPRSA-N 2 1 380.533 0.498 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000515316246 1194968224 /nfs/dbraw/zinc/96/82/24/1194968224.db2.gz SMCAHLOCWXDWSY-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N(C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000515356876 1194970420 /nfs/dbraw/zinc/97/04/20/1194970420.db2.gz LKUQTMQRNZMHEB-IYBDPMFKSA-N 2 1 376.501 0.719 20 0 GCADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436052212 1194982310 /nfs/dbraw/zinc/98/23/10/1194982310.db2.gz CHCKTTLWNXPTOT-INIZCTEOSA-N 2 1 375.473 0.434 20 0 GCADMP COCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436060202 1194982896 /nfs/dbraw/zinc/98/28/96/1194982896.db2.gz DHHCMJQCXWVWMP-GOSISDBHSA-N 2 1 376.501 0.769 20 0 GCADMP COCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436060202 1194982897 /nfs/dbraw/zinc/98/28/97/1194982897.db2.gz DHHCMJQCXWVWMP-GOSISDBHSA-N 2 1 376.501 0.769 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000436058414 1194982953 /nfs/dbraw/zinc/98/29/53/1194982953.db2.gz KSTCTYFNHFQRCP-HNNXBMFYSA-N 2 1 376.457 0.351 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc2c(c1)OCO2 ZINC000436058414 1194982954 /nfs/dbraw/zinc/98/29/54/1194982954.db2.gz KSTCTYFNHFQRCP-HNNXBMFYSA-N 2 1 376.457 0.351 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccc(F)cc1 ZINC000436059941 1194982980 /nfs/dbraw/zinc/98/29/80/1194982980.db2.gz CUOGWARBDRIJLF-MRXNPFEDSA-N 2 1 380.464 0.640 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCOc1ccc(F)cc1 ZINC000436059941 1194982982 /nfs/dbraw/zinc/98/29/82/1194982982.db2.gz CUOGWARBDRIJLF-MRXNPFEDSA-N 2 1 380.464 0.640 20 0 GCADMP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436061164 1194982986 /nfs/dbraw/zinc/98/29/86/1194982986.db2.gz GSDDJSQDPKHNBN-KRWDZBQOSA-N 2 1 376.501 0.973 20 0 GCADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436061164 1194982988 /nfs/dbraw/zinc/98/29/88/1194982988.db2.gz GSDDJSQDPKHNBN-KRWDZBQOSA-N 2 1 376.501 0.973 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436054965 1194984266 /nfs/dbraw/zinc/98/42/66/1194984266.db2.gz WHBXBLMLTCUBMG-KRWDZBQOSA-N 2 1 376.501 0.973 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436054965 1194984268 /nfs/dbraw/zinc/98/42/68/1194984268.db2.gz WHBXBLMLTCUBMG-KRWDZBQOSA-N 2 1 376.501 0.973 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000436129128 1194986868 /nfs/dbraw/zinc/98/68/68/1194986868.db2.gz VYYYEIDRBMQSDY-SJORKVTESA-N 2 1 397.564 0.416 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000436129128 1194986869 /nfs/dbraw/zinc/98/68/69/1194986869.db2.gz VYYYEIDRBMQSDY-SJORKVTESA-N 2 1 397.564 0.416 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000436129128 1194986871 /nfs/dbraw/zinc/98/68/71/1194986871.db2.gz VYYYEIDRBMQSDY-SJORKVTESA-N 2 1 397.564 0.416 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000505774098 1194990723 /nfs/dbraw/zinc/99/07/23/1194990723.db2.gz VBVGJUSZBRSMKZ-ZWKOTPCHSA-N 2 1 392.548 0.777 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000515686338 1194991071 /nfs/dbraw/zinc/99/10/71/1194991071.db2.gz SJLFLSXOAPMNIK-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000515701358 1194991934 /nfs/dbraw/zinc/99/19/34/1194991934.db2.gz NOZJONHNSMPGQJ-GBESFXJTSA-N 2 1 394.560 0.813 20 0 GCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000516199039 1195031243 /nfs/dbraw/zinc/03/12/43/1195031243.db2.gz KSUCAZDXMJTKHL-MOPGFXCFSA-N 2 1 392.544 0.833 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000425870982 1195038987 /nfs/dbraw/zinc/03/89/87/1195038987.db2.gz XGFNZSZOCDFYLL-UHFFFAOYSA-N 2 1 382.549 0.981 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000516558914 1195067098 /nfs/dbraw/zinc/06/70/98/1195067098.db2.gz FZNHRUXBPANXLQ-XYJFISCASA-N 2 1 380.533 0.687 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000437190713 1195081447 /nfs/dbraw/zinc/08/14/47/1195081447.db2.gz ZAUUVELKUMYCFK-MSOLQXFVSA-N 2 1 380.533 0.642 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000549988650 1195087725 /nfs/dbraw/zinc/08/77/25/1195087725.db2.gz WHDJJQSLGLSNMT-NVXWUHKLSA-N 2 1 376.501 0.824 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000549988650 1195087728 /nfs/dbraw/zinc/08/77/28/1195087728.db2.gz WHDJJQSLGLSNMT-NVXWUHKLSA-N 2 1 376.501 0.824 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000516750704 1195090005 /nfs/dbraw/zinc/09/00/05/1195090005.db2.gz FZRWOQFZCOAYFZ-OALUTQOASA-N 2 1 389.544 0.361 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517020293 1195125326 /nfs/dbraw/zinc/12/53/26/1195125326.db2.gz RSMPZUFNCOZNFI-HZPDHXFCSA-N 2 1 395.573 0.642 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000425864087 1195140389 /nfs/dbraw/zinc/14/03/89/1195140389.db2.gz AZCKRVARFCBGFV-SFHVURJKSA-N 2 1 386.562 0.109 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000425871898 1195143590 /nfs/dbraw/zinc/14/35/90/1195143590.db2.gz XZBJDVIUBIKQLT-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186884 1195151196 /nfs/dbraw/zinc/15/11/96/1195151196.db2.gz KSBWTIPNROVLJM-QRVBRYPASA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186884 1195151203 /nfs/dbraw/zinc/15/12/03/1195151203.db2.gz KSBWTIPNROVLJM-QRVBRYPASA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186884 1195151205 /nfs/dbraw/zinc/15/12/05/1195151205.db2.gz KSBWTIPNROVLJM-QRVBRYPASA-N 2 1 393.576 0.317 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000517250913 1195164492 /nfs/dbraw/zinc/16/44/92/1195164492.db2.gz WUULEQPGBOAFRV-IBGZPJMESA-N 2 1 395.592 0.757 20 0 GCADMP COC[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000438353488 1195211045 /nfs/dbraw/zinc/21/10/45/1195211045.db2.gz BRMNNRADOCIYAK-DZVNLGKHSA-N 2 1 382.549 0.979 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000517755963 1195213347 /nfs/dbraw/zinc/21/33/47/1195213347.db2.gz AXKWLMJYFNGWCL-IAGOWNOFSA-N 2 1 382.574 0.908 20 0 GCADMP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000517834979 1195223309 /nfs/dbraw/zinc/22/33/09/1195223309.db2.gz GXJZDXNXRROXFO-UHFFFAOYSA-N 2 1 375.473 0.081 20 0 GCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000414975452 1195277708 /nfs/dbraw/zinc/27/77/08/1195277708.db2.gz LRCLHQMGKPLTNT-PBHICJAKSA-N 2 1 387.484 0.410 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000518360320 1195282600 /nfs/dbraw/zinc/28/26/00/1195282600.db2.gz QMBCHBHGLVOYPM-SCTDSRPQSA-N 2 1 394.560 0.922 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000518360322 1195282879 /nfs/dbraw/zinc/28/28/79/1195282879.db2.gz QMBCHBHGLVOYPM-ZIFCJYIRSA-N 2 1 394.560 0.922 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)N1CCOCC1 ZINC000518406044 1195288534 /nfs/dbraw/zinc/28/85/34/1195288534.db2.gz PQTWHDFZRBYPFW-LJQANCHMSA-N 2 1 394.560 0.794 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(C)[nH]c1=O ZINC000439218418 1195296443 /nfs/dbraw/zinc/29/64/43/1195296443.db2.gz VKWAAAMASXUNKF-HNNXBMFYSA-N 2 1 377.489 0.909 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209057 1195296939 /nfs/dbraw/zinc/29/69/39/1195296939.db2.gz LMSWTAUZHFUXFT-INIZCTEOSA-N 2 1 391.516 0.507 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385642 1195320473 /nfs/dbraw/zinc/32/04/73/1195320473.db2.gz PRKCHYDIJAVQPF-HOJAQTOUSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000426385642 1195320475 /nfs/dbraw/zinc/32/04/75/1195320475.db2.gz PRKCHYDIJAVQPF-HOJAQTOUSA-N 2 1 390.528 0.889 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000518716479 1195324633 /nfs/dbraw/zinc/32/46/33/1195324633.db2.gz FPQRYUQESQGHJZ-UHFFFAOYSA-N 2 1 392.544 0.787 20 0 GCADMP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000518716479 1195324637 /nfs/dbraw/zinc/32/46/37/1195324637.db2.gz FPQRYUQESQGHJZ-UHFFFAOYSA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771446 1195330409 /nfs/dbraw/zinc/33/04/09/1195330409.db2.gz PQGIRHQAZAMNRV-CABCVRRESA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771446 1195330415 /nfs/dbraw/zinc/33/04/15/1195330415.db2.gz PQGIRHQAZAMNRV-CABCVRRESA-N 2 1 398.504 0.328 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000518950550 1195349440 /nfs/dbraw/zinc/34/94/40/1195349440.db2.gz SRFYBDSIPYOGAZ-SJORKVTESA-N 2 1 381.565 0.365 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000518950550 1195349443 /nfs/dbraw/zinc/34/94/43/1195349443.db2.gz SRFYBDSIPYOGAZ-SJORKVTESA-N 2 1 381.565 0.365 20 0 GCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000439969094 1195370658 /nfs/dbraw/zinc/37/06/58/1195370658.db2.gz HGWODBOTZCFSQV-KRWDZBQOSA-N 2 1 376.505 0.906 20 0 GCADMP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000519142908 1195372364 /nfs/dbraw/zinc/37/23/64/1195372364.db2.gz CQMZUFKYOBSOLX-KRWDZBQOSA-N 2 1 379.501 0.829 20 0 GCADMP COc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[NH+]3CCC[C@H]3C2)n1 ZINC000426548322 1195373662 /nfs/dbraw/zinc/37/36/62/1195373662.db2.gz MBWYOHUNBKCTNW-VQHPVUNQSA-N 2 1 387.532 0.801 20 0 GCADMP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000426548322 1195373666 /nfs/dbraw/zinc/37/36/66/1195373666.db2.gz MBWYOHUNBKCTNW-VQHPVUNQSA-N 2 1 387.532 0.801 20 0 GCADMP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000426548322 1195373671 /nfs/dbraw/zinc/37/36/71/1195373671.db2.gz MBWYOHUNBKCTNW-VQHPVUNQSA-N 2 1 387.532 0.801 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000415009879 1195394718 /nfs/dbraw/zinc/39/47/18/1195394718.db2.gz ONEQUVYOKVDIJQ-MOPGFXCFSA-N 2 1 382.464 0.835 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000550094590 1195433402 /nfs/dbraw/zinc/43/34/02/1195433402.db2.gz CJOHUHYITFDZKH-QGZVFWFLSA-N 2 1 391.516 0.351 20 0 GCADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000550094590 1195433406 /nfs/dbraw/zinc/43/34/06/1195433406.db2.gz CJOHUHYITFDZKH-QGZVFWFLSA-N 2 1 391.516 0.351 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550098529 1195434615 /nfs/dbraw/zinc/43/46/15/1195434615.db2.gz VTOCPIDLDSZOSL-ROUUACIJSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000550096911 1195435520 /nfs/dbraw/zinc/43/55/20/1195435520.db2.gz NMQHFNNPOUXQLD-ROUUACIJSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000550099348 1195435779 /nfs/dbraw/zinc/43/57/79/1195435779.db2.gz OAIDXJYZRJPQPA-KRWDZBQOSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550202470 1195460210 /nfs/dbraw/zinc/46/02/10/1195460210.db2.gz OOTBEIAMVGKGJU-IYBDPMFKSA-N 2 1 382.549 0.979 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550202470 1195460213 /nfs/dbraw/zinc/46/02/13/1195460213.db2.gz OOTBEIAMVGKGJU-IYBDPMFKSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000550265677 1195472842 /nfs/dbraw/zinc/47/28/42/1195472842.db2.gz XTERDKFICDYCPG-CQSZACIVSA-N 2 1 382.549 0.715 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000550265677 1195472843 /nfs/dbraw/zinc/47/28/43/1195472843.db2.gz XTERDKFICDYCPG-CQSZACIVSA-N 2 1 382.549 0.715 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426773422 1195481941 /nfs/dbraw/zinc/48/19/41/1195481941.db2.gz PCHDHUIEQGBKEU-IBGZPJMESA-N 2 1 392.544 0.690 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426773422 1195481943 /nfs/dbraw/zinc/48/19/43/1195481943.db2.gz PCHDHUIEQGBKEU-IBGZPJMESA-N 2 1 392.544 0.690 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CCCC4)C3)n2)CC1 ZINC000426915530 1195492259 /nfs/dbraw/zinc/49/22/59/1195492259.db2.gz WTLYTDNZMYULGJ-HNNXBMFYSA-N 2 1 388.516 1.221 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000507397963 1195516147 /nfs/dbraw/zinc/51/61/47/1195516147.db2.gz BSIXGYOUIDXJOP-SFHVURJKSA-N 2 1 388.512 0.496 20 0 GCADMP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000664883774 1195551247 /nfs/dbraw/zinc/55/12/47/1195551247.db2.gz MUPDWNFYGLLBMW-CIQAELJKSA-N 2 1 395.548 0.478 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333934634 1195552859 /nfs/dbraw/zinc/55/28/59/1195552859.db2.gz IQKYHFUDZNTCEA-UHFFFAOYSA-N 2 1 377.533 0.603 20 0 GCADMP CN1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633198 1195559996 /nfs/dbraw/zinc/55/99/96/1195559996.db2.gz VQEISMHXCLESOE-UXHICEINSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633198 1195559998 /nfs/dbraw/zinc/55/99/98/1195559998.db2.gz VQEISMHXCLESOE-UXHICEINSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633198 1195559999 /nfs/dbraw/zinc/55/99/99/1195559999.db2.gz VQEISMHXCLESOE-UXHICEINSA-N 2 1 388.560 0.650 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000519734293 1195567568 /nfs/dbraw/zinc/56/75/68/1195567568.db2.gz YBVLCJZAVUWWQR-AEFFLSMTSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000519774224 1195569022 /nfs/dbraw/zinc/56/90/22/1195569022.db2.gz LIBJWZHBVNGRJQ-HZPDHXFCSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000519774224 1195569025 /nfs/dbraw/zinc/56/90/25/1195569025.db2.gz LIBJWZHBVNGRJQ-HZPDHXFCSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774224 1195569027 /nfs/dbraw/zinc/56/90/27/1195569027.db2.gz LIBJWZHBVNGRJQ-HZPDHXFCSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774224 1195569029 /nfs/dbraw/zinc/56/90/29/1195569029.db2.gz LIBJWZHBVNGRJQ-HZPDHXFCSA-N 2 1 380.533 0.423 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000519809930 1195572159 /nfs/dbraw/zinc/57/21/59/1195572159.db2.gz JHPKBAWOMGHZDC-LJQANCHMSA-N 2 1 392.544 0.787 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440985552 1195592774 /nfs/dbraw/zinc/59/27/74/1195592774.db2.gz PMBFXENBWVYUSL-UHFFFAOYSA-N 2 1 382.597 0.729 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440985552 1195592778 /nfs/dbraw/zinc/59/27/78/1195592778.db2.gz PMBFXENBWVYUSL-UHFFFAOYSA-N 2 1 382.597 0.729 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440985552 1195592781 /nfs/dbraw/zinc/59/27/81/1195592781.db2.gz PMBFXENBWVYUSL-UHFFFAOYSA-N 2 1 382.597 0.729 20 0 GCADMP COC(=O)Cn1cc(CC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000441049694 1195600149 /nfs/dbraw/zinc/60/01/49/1195600149.db2.gz JNOFBHJYCAHVKM-UHFFFAOYSA-N 2 1 378.521 0.484 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C ZINC000328938157 1195676203 /nfs/dbraw/zinc/67/62/03/1195676203.db2.gz DFLADWNIHAYGNP-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C ZINC000328938157 1195676206 /nfs/dbraw/zinc/67/62/06/1195676206.db2.gz DFLADWNIHAYGNP-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000729497313 1195744818 /nfs/dbraw/zinc/74/48/18/1195744818.db2.gz RKUDXWSELKWYEW-LZLYRXPVSA-N 2 1 384.546 0.357 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000536356051 1195744860 /nfs/dbraw/zinc/74/48/60/1195744860.db2.gz QTVDYFHVINKMPS-QRVBRYPASA-N 2 1 375.517 0.167 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536356051 1195744862 /nfs/dbraw/zinc/74/48/62/1195744862.db2.gz QTVDYFHVINKMPS-QRVBRYPASA-N 2 1 375.517 0.167 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729496636 1195749751 /nfs/dbraw/zinc/74/97/51/1195749751.db2.gz JZEVJMRPUAPATJ-VQTJNVASSA-N 2 1 387.528 0.971 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729496636 1195749755 /nfs/dbraw/zinc/74/97/55/1195749755.db2.gz JZEVJMRPUAPATJ-VQTJNVASSA-N 2 1 387.528 0.971 20 0 GCADMP C[NH+]1CCC[C@H]2[C@@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000895091908 1195804144 /nfs/dbraw/zinc/80/41/44/1195804144.db2.gz JYTZQSLJLINRFA-FJIDUMEYSA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)n1 ZINC000895091908 1195804145 /nfs/dbraw/zinc/80/41/45/1195804145.db2.gz JYTZQSLJLINRFA-FJIDUMEYSA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@H]3[C@@H]2CCC[N@H+]3C)n1 ZINC000895091908 1195804146 /nfs/dbraw/zinc/80/41/46/1195804146.db2.gz JYTZQSLJLINRFA-FJIDUMEYSA-N 2 1 399.543 0.921 20 0 GCADMP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000520620627 1195804179 /nfs/dbraw/zinc/80/41/79/1195804179.db2.gz IIGBTZZDFJONRZ-GHTZIAJQSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417725786 1195823480 /nfs/dbraw/zinc/82/34/80/1195823480.db2.gz GHLMUFOSFMVTBY-PKOBYXMFSA-N 2 1 375.517 0.956 20 0 GCADMP C[C@H]1CCC[NH+](CCNC(=O)COCC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000129611503 1195851704 /nfs/dbraw/zinc/85/17/04/1195851704.db2.gz OOUSVMLGHDXHGO-ROUUACIJSA-N 2 1 382.549 0.699 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417791968 1195858674 /nfs/dbraw/zinc/85/86/74/1195858674.db2.gz KALLAIUVKGOECJ-MSOLQXFVSA-N 2 1 377.533 0.857 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000417791968 1195858677 /nfs/dbraw/zinc/85/86/77/1195858677.db2.gz KALLAIUVKGOECJ-MSOLQXFVSA-N 2 1 377.533 0.857 20 0 GCADMP CC(C)[NH+](CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1)C(C)C ZINC000417795316 1195873116 /nfs/dbraw/zinc/87/31/16/1195873116.db2.gz MUJKGAILUHQNCC-UHFFFAOYSA-N 2 1 389.566 0.124 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[C@H](C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)CC3)C[C@H]2C1 ZINC000427800561 1195878719 /nfs/dbraw/zinc/87/87/19/1195878719.db2.gz SLZSYZZEWGZNDZ-RCJQCDAJSA-N 2 1 388.556 0.833 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCc4nnn(C(C)(C)C)n4)C[C@H]32)CC[N@H+]1C ZINC001075809159 1195929687 /nfs/dbraw/zinc/92/96/87/1195929687.db2.gz WNMZOXFFGQOZGV-YYIAUSFCSA-N 2 1 389.548 0.844 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCc4nnn(C(C)(C)C)n4)C[C@H]32)CC[NH+]1C ZINC001075809159 1195929689 /nfs/dbraw/zinc/92/96/89/1195929689.db2.gz WNMZOXFFGQOZGV-YYIAUSFCSA-N 2 1 389.548 0.844 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000442009749 1195941993 /nfs/dbraw/zinc/94/19/93/1195941993.db2.gz ZGECVKMSKIDIOW-MRXNPFEDSA-N 2 1 378.473 0.402 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000550456294 1195961294 /nfs/dbraw/zinc/96/12/94/1195961294.db2.gz ILRAHEZLKPXJBC-ZWKOTPCHSA-N 2 1 398.548 0.029 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000521117562 1195964552 /nfs/dbraw/zinc/96/45/52/1195964552.db2.gz WPBVGHNFIKERRU-ROUUACIJSA-N 2 1 378.517 0.396 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455722 1195965996 /nfs/dbraw/zinc/96/59/96/1195965996.db2.gz CFQKZGANIGAMBG-ZWKOTPCHSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550455722 1195965997 /nfs/dbraw/zinc/96/59/97/1195965997.db2.gz CFQKZGANIGAMBG-ZWKOTPCHSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550455722 1195965999 /nfs/dbraw/zinc/96/59/99/1195965999.db2.gz CFQKZGANIGAMBG-ZWKOTPCHSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457963 1195980507 /nfs/dbraw/zinc/98/05/07/1195980507.db2.gz JOMYTNANFOTWCX-DLBZAZTESA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000550457963 1195980508 /nfs/dbraw/zinc/98/05/08/1195980508.db2.gz JOMYTNANFOTWCX-DLBZAZTESA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000550457963 1195980511 /nfs/dbraw/zinc/98/05/11/1195980511.db2.gz JOMYTNANFOTWCX-DLBZAZTESA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000550458001 1195982228 /nfs/dbraw/zinc/98/22/28/1195982228.db2.gz LBYQNLQEGKWKEN-GOSISDBHSA-N 2 1 382.549 0.650 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000550458803 1195988503 /nfs/dbraw/zinc/98/85/03/1195988503.db2.gz RWVXBEJNKNTCKZ-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000521392868 1195994431 /nfs/dbraw/zinc/99/44/31/1195994431.db2.gz HXAJPSCCVDURAX-AOIWGVFYSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000521392868 1195994433 /nfs/dbraw/zinc/99/44/33/1195994433.db2.gz HXAJPSCCVDURAX-AOIWGVFYSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000521392868 1195994434 /nfs/dbraw/zinc/99/44/34/1195994434.db2.gz HXAJPSCCVDURAX-AOIWGVFYSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC000521964151 1196027783 /nfs/dbraw/zinc/02/77/83/1196027783.db2.gz VMAPISAYYIDPHI-OALUTQOASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+]1CCCCC1 ZINC000521960187 1196028861 /nfs/dbraw/zinc/02/88/61/1196028861.db2.gz JPKAWUDNXYHVPB-OALUTQOASA-N 2 1 394.560 0.938 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000550480348 1196051898 /nfs/dbraw/zinc/05/18/98/1196051898.db2.gz CGBKZFPXGCRBJT-UHFFFAOYSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccn(C)c(=O)c1 ZINC001087622471 1196053376 /nfs/dbraw/zinc/05/33/76/1196053376.db2.gz OJASPINZYKSNSA-BZZMCLGOSA-N 2 1 376.501 0.574 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccn(C)c(=O)c1 ZINC001087622471 1196053378 /nfs/dbraw/zinc/05/33/78/1196053378.db2.gz OJASPINZYKSNSA-BZZMCLGOSA-N 2 1 376.501 0.574 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccn(C)c(=O)c1 ZINC001087622471 1196053380 /nfs/dbraw/zinc/05/33/80/1196053380.db2.gz OJASPINZYKSNSA-BZZMCLGOSA-N 2 1 376.501 0.574 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccn(C)c(=O)c1 ZINC001087622471 1196053383 /nfs/dbraw/zinc/05/33/83/1196053383.db2.gz OJASPINZYKSNSA-BZZMCLGOSA-N 2 1 376.501 0.574 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000550484329 1196054693 /nfs/dbraw/zinc/05/46/93/1196054693.db2.gz QCHBSJVNELKXES-HOTGVXAUSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000550484329 1196054695 /nfs/dbraw/zinc/05/46/95/1196054695.db2.gz QCHBSJVNELKXES-HOTGVXAUSA-N 2 1 376.501 0.278 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000550518529 1196071591 /nfs/dbraw/zinc/07/15/91/1196071591.db2.gz DYFSUPLMOBEEFX-SJLPKXTDSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518529 1196071593 /nfs/dbraw/zinc/07/15/93/1196071593.db2.gz DYFSUPLMOBEEFX-SJLPKXTDSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000550518529 1196071596 /nfs/dbraw/zinc/07/15/96/1196071596.db2.gz DYFSUPLMOBEEFX-SJLPKXTDSA-N 2 1 379.549 0.071 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000550550346 1196083303 /nfs/dbraw/zinc/08/33/03/1196083303.db2.gz FDDRDBJPXFSFEY-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000550550346 1196083304 /nfs/dbraw/zinc/08/33/04/1196083304.db2.gz FDDRDBJPXFSFEY-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000550550346 1196083306 /nfs/dbraw/zinc/08/33/06/1196083306.db2.gz FDDRDBJPXFSFEY-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[NH+]1CCC(C)CC1 ZINC000114592421 1196106099 /nfs/dbraw/zinc/10/60/99/1196106099.db2.gz RPAQQSPDYBLYGQ-IBGZPJMESA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000895666997 1196107318 /nfs/dbraw/zinc/10/73/18/1196107318.db2.gz VNRCZLOFQBLKBW-LPHOPBHVSA-N 2 1 380.537 0.997 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@]1(c2cnn(C)c2)CCCO1 ZINC000895666997 1196107319 /nfs/dbraw/zinc/10/73/19/1196107319.db2.gz VNRCZLOFQBLKBW-LPHOPBHVSA-N 2 1 380.537 0.997 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564868 1196164938 /nfs/dbraw/zinc/16/49/38/1196164938.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)CC1=O ZINC000896564868 1196164942 /nfs/dbraw/zinc/16/49/42/1196164942.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000896564868 1196164944 /nfs/dbraw/zinc/16/49/44/1196164944.db2.gz TZZJWYUUYHYVEG-BSDSXHPESA-N 2 1 379.549 0.070 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCN2C)CC1=O ZINC000896564870 1196165282 /nfs/dbraw/zinc/16/52/82/1196165282.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)CC1=O ZINC000896564870 1196165285 /nfs/dbraw/zinc/16/52/85/1196165285.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 1 379.549 0.070 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCN2C)CC1=O ZINC000896564870 1196165287 /nfs/dbraw/zinc/16/52/87/1196165287.db2.gz TZZJWYUUYHYVEG-TVFCKZIOSA-N 2 1 379.549 0.070 20 0 GCADMP C[NH+]1CCC2(CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329170843 1196171675 /nfs/dbraw/zinc/17/16/75/1196171675.db2.gz KFVGWRFBRQAVJL-GOSISDBHSA-N 2 1 392.544 0.787 20 0 GCADMP C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000329234603 1196178967 /nfs/dbraw/zinc/17/89/67/1196178967.db2.gz MURFKOULTDYPLN-PXNSSMCTSA-N 2 1 378.517 0.254 20 0 GCADMP C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000329234603 1196178970 /nfs/dbraw/zinc/17/89/70/1196178970.db2.gz MURFKOULTDYPLN-PXNSSMCTSA-N 2 1 378.517 0.254 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000329354380 1196188164 /nfs/dbraw/zinc/18/81/64/1196188164.db2.gz GKAYIKRFEPREFY-MOPGFXCFSA-N 2 1 392.544 0.787 20 0 GCADMP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012008 1196217408 /nfs/dbraw/zinc/21/74/08/1196217408.db2.gz OJCHEYVOERKPBN-NRSFXHEJSA-N 2 1 391.516 0.810 20 0 GCADMP Cc1noc(CCC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012008 1196217410 /nfs/dbraw/zinc/21/74/10/1196217410.db2.gz OJCHEYVOERKPBN-NRSFXHEJSA-N 2 1 391.516 0.810 20 0 GCADMP Cc1noc(CCC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012008 1196217412 /nfs/dbraw/zinc/21/74/12/1196217412.db2.gz OJCHEYVOERKPBN-NRSFXHEJSA-N 2 1 391.516 0.810 20 0 GCADMP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012008 1196217414 /nfs/dbraw/zinc/21/74/14/1196217414.db2.gz OJCHEYVOERKPBN-NRSFXHEJSA-N 2 1 391.516 0.810 20 0 GCADMP Cc1cc(CC(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)no1 ZINC000329888677 1196236275 /nfs/dbraw/zinc/23/62/75/1196236275.db2.gz ZGTYYEHAUOIPGC-UHFFFAOYSA-N 2 1 377.489 0.222 20 0 GCADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000330298964 1196267352 /nfs/dbraw/zinc/26/73/52/1196267352.db2.gz LYYHRCSWWNJIBA-ZWKOTPCHSA-N 2 1 380.533 0.642 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)oc1C ZINC000281730156 1196327348 /nfs/dbraw/zinc/32/73/48/1196327348.db2.gz XNBKJGCQFWNNQE-AWEZNQCLSA-N 2 1 386.518 0.724 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000985062835 1196338979 /nfs/dbraw/zinc/33/89/79/1196338979.db2.gz CFGAOEZCTHBKGU-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000985062835 1196338980 /nfs/dbraw/zinc/33/89/80/1196338980.db2.gz CFGAOEZCTHBKGU-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CNc1nc(N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)nc(N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)n1 ZINC000896914385 1196368589 /nfs/dbraw/zinc/36/85/89/1196368589.db2.gz DBHMVFWVQHBJRD-IQGAEYHTSA-N 3 1 386.548 0.111 20 0 GCADMP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1(C)C ZINC000444261464 1196369121 /nfs/dbraw/zinc/36/91/21/1196369121.db2.gz YBOROJNGGKTLKA-LIRRHRJNSA-N 2 1 376.505 0.724 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000985153797 1196375838 /nfs/dbraw/zinc/37/58/38/1196375838.db2.gz IXMOCYWRFIJQPD-XMTFNYHQSA-N 2 1 392.544 0.830 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000985153797 1196375842 /nfs/dbraw/zinc/37/58/42/1196375842.db2.gz IXMOCYWRFIJQPD-XMTFNYHQSA-N 2 1 392.544 0.830 20 0 GCADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC000897283151 1196439779 /nfs/dbraw/zinc/43/97/79/1196439779.db2.gz DXXRAPJWJOCXEU-SFHVURJKSA-N 2 1 393.557 0.553 20 0 GCADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCN3[C@@H](CNS3(=O)=O)C2)CC1 ZINC000897283151 1196439781 /nfs/dbraw/zinc/43/97/81/1196439781.db2.gz DXXRAPJWJOCXEU-SFHVURJKSA-N 2 1 393.557 0.553 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CN1CCOCC1 ZINC000523431147 1196523290 /nfs/dbraw/zinc/52/32/90/1196523290.db2.gz YGRWQSLDRMQCGJ-IRXDYDNUSA-N 2 1 383.537 0.197 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCOCC1 ZINC000523431147 1196523291 /nfs/dbraw/zinc/52/32/91/1196523291.db2.gz YGRWQSLDRMQCGJ-IRXDYDNUSA-N 2 1 383.537 0.197 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914645 1196567307 /nfs/dbraw/zinc/56/73/07/1196567307.db2.gz JZGVLPZWJMYFHS-FGTMMUONSA-N 2 1 397.564 0.728 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914645 1196567309 /nfs/dbraw/zinc/56/73/09/1196567309.db2.gz JZGVLPZWJMYFHS-FGTMMUONSA-N 2 1 397.564 0.728 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000523914645 1196567313 /nfs/dbraw/zinc/56/73/13/1196567313.db2.gz JZGVLPZWJMYFHS-FGTMMUONSA-N 2 1 397.564 0.728 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000524135647 1196577677 /nfs/dbraw/zinc/57/76/77/1196577677.db2.gz MNLITQVWEHAVKL-FHWLQOOXSA-N 2 1 381.565 0.907 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000524563887 1196605865 /nfs/dbraw/zinc/60/58/65/1196605865.db2.gz MTERLMRAWLGDLE-DLBZAZTESA-N 2 1 395.548 0.374 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)CN1CC[NH+](C)CC1 ZINC000446050315 1196610340 /nfs/dbraw/zinc/61/03/40/1196610340.db2.gz FTFMJLUVEUJQKK-KRWDZBQOSA-N 2 1 389.544 0.729 20 0 GCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524619480 1196611279 /nfs/dbraw/zinc/61/12/79/1196611279.db2.gz UPIWPVYUVVTEQE-MSOLQXFVSA-N 2 1 397.564 0.321 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000524750687 1196620090 /nfs/dbraw/zinc/62/00/90/1196620090.db2.gz MORWNLHDFMUUMR-LJQANCHMSA-N 2 1 391.560 0.168 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000524750687 1196620095 /nfs/dbraw/zinc/62/00/95/1196620095.db2.gz MORWNLHDFMUUMR-LJQANCHMSA-N 2 1 391.560 0.168 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000524780257 1196624141 /nfs/dbraw/zinc/62/41/41/1196624141.db2.gz WGBVCZZZOMHHBV-IRXDYDNUSA-N 2 1 388.516 0.902 20 0 GCADMP C[C@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000524780255 1196624174 /nfs/dbraw/zinc/62/41/74/1196624174.db2.gz WGBVCZZZOMHHBV-DLBZAZTESA-N 2 1 388.516 0.902 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446273776 1196629759 /nfs/dbraw/zinc/62/97/59/1196629759.db2.gz CLKNCGDPEVWYNK-WRWLIDTKSA-N 2 1 380.533 0.626 20 0 GCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996936 1196642296 /nfs/dbraw/zinc/64/22/96/1196642296.db2.gz SJKUSNUWOWXCCK-WIYYLYMNSA-N 2 1 390.528 0.891 20 0 GCADMP C[C@H](CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996936 1196642298 /nfs/dbraw/zinc/64/22/98/1196642298.db2.gz SJKUSNUWOWXCCK-WIYYLYMNSA-N 2 1 390.528 0.891 20 0 GCADMP C[NH+](C)CCOCCNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000526074934 1196737814 /nfs/dbraw/zinc/73/78/14/1196737814.db2.gz AINOODGFOHNNOM-MRXNPFEDSA-N 2 1 383.562 0.914 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447908095 1196756366 /nfs/dbraw/zinc/75/63/66/1196756366.db2.gz UEZFDQXTXXPRJM-WOJBJXKFSA-N 2 1 391.512 0.859 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447908095 1196756368 /nfs/dbraw/zinc/75/63/68/1196756368.db2.gz UEZFDQXTXXPRJM-WOJBJXKFSA-N 2 1 391.512 0.859 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000527329902 1196780063 /nfs/dbraw/zinc/78/00/63/1196780063.db2.gz SBVFGOJBGKAVKS-CQSZACIVSA-N 2 1 375.473 0.583 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000527329902 1196780065 /nfs/dbraw/zinc/78/00/65/1196780065.db2.gz SBVFGOJBGKAVKS-CQSZACIVSA-N 2 1 375.473 0.583 20 0 GCADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000448207974 1196780816 /nfs/dbraw/zinc/78/08/16/1196780816.db2.gz CMQWACCUPMFNOZ-MRXNPFEDSA-N 2 1 376.505 0.724 20 0 GCADMP Cn1cc[nH+]c1CC1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000448207974 1196780821 /nfs/dbraw/zinc/78/08/21/1196780821.db2.gz CMQWACCUPMFNOZ-MRXNPFEDSA-N 2 1 376.505 0.724 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519521 1196809626 /nfs/dbraw/zinc/80/96/26/1196809626.db2.gz DWNRGEBOOWIOKX-MOPGFXCFSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000448519521 1196809630 /nfs/dbraw/zinc/80/96/30/1196809630.db2.gz DWNRGEBOOWIOKX-MOPGFXCFSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000448519521 1196809634 /nfs/dbraw/zinc/80/96/34/1196809634.db2.gz DWNRGEBOOWIOKX-MOPGFXCFSA-N 2 1 383.581 0.748 20 0 GCADMP C[C@]1(CO)CN(CC(=O)N2CCN(Cc3ccccc3)CC2)C[C@@]1(C)CO ZINC000528749715 1196884196 /nfs/dbraw/zinc/88/41/96/1196884196.db2.gz XOCPLWTUHLQJJF-OYRHEFFESA-N 2 1 375.513 0.644 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318638 1196914561 /nfs/dbraw/zinc/91/45/61/1196914561.db2.gz XQTDIGSLQJPIND-JKSUJKDBSA-N 2 1 378.473 0.566 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318638 1196914564 /nfs/dbraw/zinc/91/45/64/1196914564.db2.gz XQTDIGSLQJPIND-JKSUJKDBSA-N 2 1 378.473 0.566 20 0 GCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529360358 1196916761 /nfs/dbraw/zinc/91/67/61/1196916761.db2.gz OBRBZKQHBJRIQB-KRWDZBQOSA-N 2 1 377.533 0.857 20 0 GCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529360359 1196916925 /nfs/dbraw/zinc/91/69/25/1196916925.db2.gz OBRBZKQHBJRIQB-QGZVFWFLSA-N 2 1 377.533 0.857 20 0 GCADMP CC(C)OCCS(=O)(=O)NCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000530636363 1197002168 /nfs/dbraw/zinc/00/21/68/1197002168.db2.gz JDAFPPCUZYWJSX-UHFFFAOYSA-N 2 1 399.517 0.116 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CN1CCC(=O)NC1=O ZINC000530711865 1197009494 /nfs/dbraw/zinc/00/94/94/1197009494.db2.gz DGDQXTJBAZOGJA-UHFFFAOYSA-N 2 1 393.532 0.583 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Cn1cccnc1=O ZINC000531426946 1197074197 /nfs/dbraw/zinc/07/41/97/1197074197.db2.gz ZWVYYKWDYXVJBY-UHFFFAOYSA-N 2 1 375.517 0.898 20 0 GCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452786332 1197081618 /nfs/dbraw/zinc/08/16/18/1197081618.db2.gz UXFRXOGFKVQEFX-SFHVURJKSA-N 2 1 375.517 0.557 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532170873 1197123310 /nfs/dbraw/zinc/12/33/10/1197123310.db2.gz KQHOHOMRAZTKMN-IKGGRYGDSA-N 2 1 381.521 0.269 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532170873 1197123312 /nfs/dbraw/zinc/12/33/12/1197123312.db2.gz KQHOHOMRAZTKMN-IKGGRYGDSA-N 2 1 381.521 0.269 20 0 GCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000453812690 1197134756 /nfs/dbraw/zinc/13/47/56/1197134756.db2.gz XIOXPPKKEBMFTG-GOSISDBHSA-N 2 1 376.501 0.692 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)c1 ZINC000453806892 1197139149 /nfs/dbraw/zinc/13/91/49/1197139149.db2.gz BGQPMKAMZVKEQH-KRWDZBQOSA-N 2 1 392.500 0.529 20 0 GCADMP O=C1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730820 1197150584 /nfs/dbraw/zinc/15/05/84/1197150584.db2.gz UFNUMUPUYCLCCC-OALUTQOASA-N 2 1 380.533 0.153 20 0 GCADMP O=C1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730823 1197150649 /nfs/dbraw/zinc/15/06/49/1197150649.db2.gz UFNUMUPUYCLCCC-RBUKOAKNSA-N 2 1 380.533 0.153 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]3C2)O1 ZINC000986324000 1197165815 /nfs/dbraw/zinc/16/58/15/1197165815.db2.gz LYSXPPVXMGPZLD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@H]3C2)O1 ZINC000986324000 1197165817 /nfs/dbraw/zinc/16/58/17/1197165817.db2.gz LYSXPPVXMGPZLD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@H+](C)C4CCC4)C[C@H]3C2)O1 ZINC000986324000 1197165821 /nfs/dbraw/zinc/16/58/21/1197165821.db2.gz LYSXPPVXMGPZLD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]3C2)O1 ZINC000986324000 1197165822 /nfs/dbraw/zinc/16/58/22/1197165822.db2.gz LYSXPPVXMGPZLD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)CC[N@@H+]1C ZINC000986399026 1197169631 /nfs/dbraw/zinc/16/96/31/1197169631.db2.gz NKPVOJJCNUFSRE-AKHDSKFASA-N 2 1 392.544 0.356 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@@H]3C2)CC[N@H+]1C ZINC000986399026 1197169633 /nfs/dbraw/zinc/16/96/33/1197169633.db2.gz NKPVOJJCNUFSRE-AKHDSKFASA-N 2 1 392.544 0.356 20 0 GCADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000986429883 1197169921 /nfs/dbraw/zinc/16/99/21/1197169921.db2.gz ZUKMNDYORILSRM-YYIAUSFCSA-N 2 1 383.496 0.916 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000174635215 1197181877 /nfs/dbraw/zinc/18/18/77/1197181877.db2.gz QHEUWLYIUUYCCV-IAGOWNOFSA-N 2 1 377.537 0.959 20 0 GCADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000177508149 1197190168 /nfs/dbraw/zinc/19/01/68/1197190168.db2.gz ZCLYWOVLOBXSRW-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP C[C@H](NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C(=O)N(C)C ZINC000177508149 1197190171 /nfs/dbraw/zinc/19/01/71/1197190171.db2.gz ZCLYWOVLOBXSRW-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000177971504 1197192894 /nfs/dbraw/zinc/19/28/94/1197192894.db2.gz QCTGLPRBSIAKPJ-GOSISDBHSA-N 2 1 377.533 0.809 20 0 GCADMP O=C(NC1CC1)[C@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000178593506 1197195548 /nfs/dbraw/zinc/19/55/48/1197195548.db2.gz PMBMEEUBPSTTKK-QZTJIDSGSA-N 2 1 378.517 0.489 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[N@H+]1CCO ZINC000453927936 1197210878 /nfs/dbraw/zinc/21/08/78/1197210878.db2.gz FUALEMBPQXEUIG-IYBDPMFKSA-N 2 1 392.500 0.479 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[N@@H+]1CCO ZINC000453927936 1197210880 /nfs/dbraw/zinc/21/08/80/1197210880.db2.gz FUALEMBPQXEUIG-IYBDPMFKSA-N 2 1 392.500 0.479 20 0 GCADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000193456698 1197255156 /nfs/dbraw/zinc/25/51/56/1197255156.db2.gz LIRWJZWGETWHOQ-KRWDZBQOSA-N 2 1 383.500 0.813 20 0 GCADMP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000193456698 1197255161 /nfs/dbraw/zinc/25/51/61/1197255161.db2.gz LIRWJZWGETWHOQ-KRWDZBQOSA-N 2 1 383.500 0.813 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)cc2)C1 ZINC000123434474 1197284160 /nfs/dbraw/zinc/28/41/60/1197284160.db2.gz UOFGTWIHIIITCM-QAPCUYQASA-N 2 1 376.501 0.896 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988319983 1197308428 /nfs/dbraw/zinc/30/84/28/1197308428.db2.gz PJCRYDNTKYMAMK-VQHPVUNQSA-N 2 1 390.532 0.504 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000171195207 1197314777 /nfs/dbraw/zinc/31/47/77/1197314777.db2.gz OEASAGYAUPUXRJ-UHFFFAOYSA-N 2 1 377.533 0.811 20 0 GCADMP COCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000171195207 1197314782 /nfs/dbraw/zinc/31/47/82/1197314782.db2.gz OEASAGYAUPUXRJ-UHFFFAOYSA-N 2 1 377.533 0.811 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000171195207 1197314787 /nfs/dbraw/zinc/31/47/87/1197314787.db2.gz OEASAGYAUPUXRJ-UHFFFAOYSA-N 2 1 377.533 0.811 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000897467812 1197341505 /nfs/dbraw/zinc/34/15/05/1197341505.db2.gz IVXPXUDKCVLSKE-UHFFFAOYSA-N 2 1 395.548 0.038 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000332970575 1197348560 /nfs/dbraw/zinc/34/85/60/1197348560.db2.gz AYWAXBMFEZDCDG-ROUUACIJSA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000332970575 1197348564 /nfs/dbraw/zinc/34/85/64/1197348564.db2.gz AYWAXBMFEZDCDG-ROUUACIJSA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000332970575 1197348567 /nfs/dbraw/zinc/34/85/67/1197348567.db2.gz AYWAXBMFEZDCDG-ROUUACIJSA-N 2 1 395.548 0.291 20 0 GCADMP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000536537844 1197355624 /nfs/dbraw/zinc/35/56/24/1197355624.db2.gz QZDCXXMKLLPRCU-FQEVSTJZSA-N 2 1 399.539 0.755 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC2)cs1 ZINC000418856449 1197378711 /nfs/dbraw/zinc/37/87/11/1197378711.db2.gz PLKBSVDEMGWILH-ZDUSSCGKSA-N 2 1 381.546 0.745 20 0 GCADMP C[C@H]1NC(=O)N(CC[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)C1=O ZINC000459367814 1197383404 /nfs/dbraw/zinc/38/34/04/1197383404.db2.gz CXCPLSMMIVYEAL-MRXNPFEDSA-N 2 1 389.500 0.689 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCCO1 ZINC000418876866 1197389373 /nfs/dbraw/zinc/38/93/73/1197389373.db2.gz HCZHOLILQUNMAS-QYZOEREBSA-N 2 1 394.560 0.984 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897485936 1197395756 /nfs/dbraw/zinc/39/57/56/1197395756.db2.gz LUGZXGFKRHEQLR-INIZCTEOSA-N 2 1 377.489 0.203 20 0 GCADMP O=C1C[C@]2(CN1)CCC[NH+](CCOCC[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000532717388 1197396791 /nfs/dbraw/zinc/39/67/91/1197396791.db2.gz XOLUXKXMUFYPOV-PMACEKPBSA-N 2 1 378.517 0.207 20 0 GCADMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)C[C@H]2C1 ZINC000194924170 1197399994 /nfs/dbraw/zinc/39/99/94/1197399994.db2.gz HLDAMZJUIDTNLH-HDICACEKSA-N 2 1 385.512 0.393 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000454482819 1197417146 /nfs/dbraw/zinc/41/71/46/1197417146.db2.gz OPMFWYPUTMQCSY-SFHVURJKSA-N 2 1 395.548 0.470 20 0 GCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000245931307 1197439863 /nfs/dbraw/zinc/43/98/63/1197439863.db2.gz QIVBQIDDXNYGNJ-IAGOWNOFSA-N 2 1 386.496 0.355 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000066986660 1197468004 /nfs/dbraw/zinc/46/80/04/1197468004.db2.gz LTPWROZFSFNSPT-UHFFFAOYSA-N 2 1 378.521 0.601 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000171300295 1197468635 /nfs/dbraw/zinc/46/86/35/1197468635.db2.gz MHJYRUYDKQACGV-GOSISDBHSA-N 2 1 396.557 0.963 20 0 GCADMP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028771 1197468642 /nfs/dbraw/zinc/46/86/42/1197468642.db2.gz HJFCCKOSWOCIJB-GFCCVEGCSA-N 2 1 380.411 0.807 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000073131147 1197470329 /nfs/dbraw/zinc/47/03/29/1197470329.db2.gz OUEKLOBFJJEQBG-IAGOWNOFSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000246571858 1197472798 /nfs/dbraw/zinc/47/27/98/1197472798.db2.gz AAARSLLYRXPXBE-IRXDYDNUSA-N 2 1 380.533 0.282 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681472 1197473192 /nfs/dbraw/zinc/47/31/92/1197473192.db2.gz HEZABBMBYWVDSA-IPMKNSEASA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000246998690 1197474666 /nfs/dbraw/zinc/47/46/66/1197474666.db2.gz OUEKLOBFJJEQBG-IRXDYDNUSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCCN2CC[NH+](C)CC2)CC1=O ZINC000247113722 1197476448 /nfs/dbraw/zinc/47/64/48/1197476448.db2.gz VVPRRYJVPAYTSO-RBUKOAKNSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000247113722 1197476450 /nfs/dbraw/zinc/47/64/50/1197476450.db2.gz VVPRRYJVPAYTSO-RBUKOAKNSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1=O ZINC000247113722 1197476452 /nfs/dbraw/zinc/47/64/52/1197476452.db2.gz VVPRRYJVPAYTSO-RBUKOAKNSA-N 2 1 393.576 0.415 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431504 1197481928 /nfs/dbraw/zinc/48/19/28/1197481928.db2.gz ZESJLHCHGZFFLS-FGTMMUONSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431504 1197481933 /nfs/dbraw/zinc/48/19/33/1197481933.db2.gz ZESJLHCHGZFFLS-FGTMMUONSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1=O ZINC000249431504 1197481936 /nfs/dbraw/zinc/48/19/36/1197481936.db2.gz ZESJLHCHGZFFLS-FGTMMUONSA-N 2 1 394.560 0.623 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000249431512 1197482018 /nfs/dbraw/zinc/48/20/18/1197482018.db2.gz ZESJLHCHGZFFLS-OKZBNKHCSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000249431512 1197482022 /nfs/dbraw/zinc/48/20/22/1197482022.db2.gz ZESJLHCHGZFFLS-OKZBNKHCSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000249431512 1197482026 /nfs/dbraw/zinc/48/20/26/1197482026.db2.gz ZESJLHCHGZFFLS-OKZBNKHCSA-N 2 1 394.560 0.623 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000666796260 1197504801 /nfs/dbraw/zinc/50/48/01/1197504801.db2.gz AYTGNFIELBWMBK-IBGZPJMESA-N 2 1 385.512 0.509 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)C1 ZINC000666796290 1197505237 /nfs/dbraw/zinc/50/52/37/1197505237.db2.gz LFWXWBPYUMUACZ-KRWDZBQOSA-N 2 1 389.500 0.201 20 0 GCADMP C[NH+]1CCN(c2ncc(CN3CCCC[C@@H]3CNC(=O)CC[NH3+])cn2)CC1 ZINC000261921189 1197519407 /nfs/dbraw/zinc/51/94/07/1197519407.db2.gz BPYZYOBSHNKKGM-QGZVFWFLSA-N 2 1 375.521 0.048 20 0 GCADMP C[N@@H+](CCNC(=O)C1CCN(Cc2noc(CN)n2)CC1)Cc1ccccc1 ZINC000262291043 1197528791 /nfs/dbraw/zinc/52/87/91/1197528791.db2.gz WAAXZNNNUZIKQZ-UHFFFAOYSA-N 2 1 386.500 0.989 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3[nH]nc4c3C[NH2+]CC4)c2)C1 ZINC000262794822 1197537579 /nfs/dbraw/zinc/53/75/79/1197537579.db2.gz PANKVCYJLYHXCG-INIZCTEOSA-N 2 1 396.495 0.683 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672003502 1198999024 /nfs/dbraw/zinc/99/90/24/1198999024.db2.gz LKZGVMADIUCIOV-GOSISDBHSA-N 2 1 376.501 0.414 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672007278 1199000380 /nfs/dbraw/zinc/00/03/80/1199000380.db2.gz GGNFDQMSPJMEEP-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672007278 1199000383 /nfs/dbraw/zinc/00/03/83/1199000383.db2.gz GGNFDQMSPJMEEP-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672007280 1199000548 /nfs/dbraw/zinc/00/05/48/1199000548.db2.gz GGNFDQMSPJMEEP-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672007280 1199000552 /nfs/dbraw/zinc/00/05/52/1199000552.db2.gz GGNFDQMSPJMEEP-SJLPKXTDSA-N 2 1 382.549 0.792 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000672007279 1199000806 /nfs/dbraw/zinc/00/08/06/1199000806.db2.gz GGNFDQMSPJMEEP-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@H+]1CCOC ZINC000672007279 1199000813 /nfs/dbraw/zinc/00/08/13/1199000813.db2.gz GGNFDQMSPJMEEP-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010330 1199004703 /nfs/dbraw/zinc/00/47/03/1199004703.db2.gz NJBMEYAYBZHBNB-HKUYNNGSSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672014938 1199006352 /nfs/dbraw/zinc/00/63/52/1199006352.db2.gz PLHHBPSXTSJGCU-HOTGVXAUSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C1CC1 ZINC000672099940 1199087629 /nfs/dbraw/zinc/08/76/29/1199087629.db2.gz VWYUZPAYFKDPRY-UHFFFAOYSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000672099940 1199087633 /nfs/dbraw/zinc/08/76/33/1199087633.db2.gz VWYUZPAYFKDPRY-UHFFFAOYSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000672099940 1199087636 /nfs/dbraw/zinc/08/76/36/1199087636.db2.gz VWYUZPAYFKDPRY-UHFFFAOYSA-N 2 1 393.576 0.604 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000672111195 1199110421 /nfs/dbraw/zinc/11/04/21/1199110421.db2.gz CNAJVCGGTCRVNC-IAGOWNOFSA-N 2 1 395.548 0.036 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000672118338 1199124670 /nfs/dbraw/zinc/12/46/70/1199124670.db2.gz ULIRUQQLJLXUOY-QXAKKESOSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000672118338 1199124672 /nfs/dbraw/zinc/12/46/72/1199124672.db2.gz ULIRUQQLJLXUOY-QXAKKESOSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000672118338 1199124675 /nfs/dbraw/zinc/12/46/75/1199124675.db2.gz ULIRUQQLJLXUOY-QXAKKESOSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000672118338 1199124679 /nfs/dbraw/zinc/12/46/79/1199124679.db2.gz ULIRUQQLJLXUOY-QXAKKESOSA-N 2 1 388.512 0.460 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203825 1199158554 /nfs/dbraw/zinc/15/85/54/1199158554.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203825 1199158556 /nfs/dbraw/zinc/15/85/56/1199158556.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203825 1199158558 /nfs/dbraw/zinc/15/85/58/1199158558.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672203825 1199158560 /nfs/dbraw/zinc/15/85/60/1199158560.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672203825 1199158561 /nfs/dbraw/zinc/15/85/61/1199158561.db2.gz NVRSNGMHZNYNCJ-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672204345 1199159710 /nfs/dbraw/zinc/15/97/10/1199159710.db2.gz LPDQRVYMKYARFI-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672204345 1199159713 /nfs/dbraw/zinc/15/97/13/1199159713.db2.gz LPDQRVYMKYARFI-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204345 1199159720 /nfs/dbraw/zinc/15/97/20/1199159720.db2.gz LPDQRVYMKYARFI-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)CC1 ZINC000465913511 1199167634 /nfs/dbraw/zinc/16/76/34/1199167634.db2.gz YVXBILLRNDDBFT-IBGZPJMESA-N 2 1 386.537 0.258 20 0 GCADMP Cc1ncsc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672252559 1199175286 /nfs/dbraw/zinc/17/52/86/1199175286.db2.gz OJBMAOLAMOBBMB-HNNXBMFYSA-N 2 1 379.530 0.695 20 0 GCADMP Cc1ncsc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672252559 1199175291 /nfs/dbraw/zinc/17/52/91/1199175291.db2.gz OJBMAOLAMOBBMB-HNNXBMFYSA-N 2 1 379.530 0.695 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926067 1199184067 /nfs/dbraw/zinc/18/40/67/1199184067.db2.gz HFSBOLYQNNQZFL-RTBURBONSA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926067 1199184072 /nfs/dbraw/zinc/18/40/72/1199184072.db2.gz HFSBOLYQNNQZFL-RTBURBONSA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926067 1199184074 /nfs/dbraw/zinc/18/40/74/1199184074.db2.gz HFSBOLYQNNQZFL-RTBURBONSA-N 2 1 381.565 0.645 20 0 GCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465927855 1199185109 /nfs/dbraw/zinc/18/51/09/1199185109.db2.gz QEJRCGUIUADWTG-HXUWFJFHSA-N 2 1 395.592 0.940 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465927855 1199185113 /nfs/dbraw/zinc/18/51/13/1199185113.db2.gz QEJRCGUIUADWTG-HXUWFJFHSA-N 2 1 395.592 0.940 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465927855 1199185115 /nfs/dbraw/zinc/18/51/15/1199185115.db2.gz QEJRCGUIUADWTG-HXUWFJFHSA-N 2 1 395.592 0.940 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672307993 1199197767 /nfs/dbraw/zinc/19/77/67/1199197767.db2.gz VNMFJUGYTCYKDP-NVXWUHKLSA-N 2 1 378.517 0.299 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304023 1199198315 /nfs/dbraw/zinc/19/83/15/1199198315.db2.gz FFHPXFAGRZURBL-SJLPKXTDSA-N 2 1 378.517 0.204 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308249 1199199052 /nfs/dbraw/zinc/19/90/52/1199199052.db2.gz GUEAROHMCOHYET-JFRXWTBNSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308249 1199199053 /nfs/dbraw/zinc/19/90/53/1199199053.db2.gz GUEAROHMCOHYET-JFRXWTBNSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308249 1199199054 /nfs/dbraw/zinc/19/90/54/1199199054.db2.gz GUEAROHMCOHYET-JFRXWTBNSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308249 1199199056 /nfs/dbraw/zinc/19/90/56/1199199056.db2.gz GUEAROHMCOHYET-JFRXWTBNSA-N 2 1 392.544 0.687 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000672309419 1199201614 /nfs/dbraw/zinc/20/16/14/1199201614.db2.gz RFLBODUYVGWDGO-LJQANCHMSA-N 2 1 384.524 0.802 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)ccn1 ZINC000672310781 1199202608 /nfs/dbraw/zinc/20/26/08/1199202608.db2.gz HXUBXXSLMQJINU-KRWDZBQOSA-N 2 1 389.500 0.239 20 0 GCADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465946885 1199211945 /nfs/dbraw/zinc/21/19/45/1199211945.db2.gz GTEWXSOIYRMKTQ-KRWDZBQOSA-N 2 1 390.532 0.742 20 0 GCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949025 1199216841 /nfs/dbraw/zinc/21/68/41/1199216841.db2.gz MMTBYZIKMJUUKH-IAGOWNOFSA-N 2 1 383.537 0.326 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000465952342 1199217495 /nfs/dbraw/zinc/21/74/95/1199217495.db2.gz OJMPMUNLGJJFFS-SFHVURJKSA-N 2 1 395.548 0.328 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000265797843 1199232797 /nfs/dbraw/zinc/23/27/97/1199232797.db2.gz MVTNYVWXNAKIBZ-INIZCTEOSA-N 2 1 377.489 0.890 20 0 GCADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000672527507 1199258394 /nfs/dbraw/zinc/25/83/94/1199258394.db2.gz XBQKTHOAFVCOFO-GVDBMIGSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)C1 ZINC000672527507 1199258399 /nfs/dbraw/zinc/25/83/99/1199258399.db2.gz XBQKTHOAFVCOFO-GVDBMIGSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)C1 ZINC000672527507 1199258403 /nfs/dbraw/zinc/25/84/03/1199258403.db2.gz XBQKTHOAFVCOFO-GVDBMIGSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000672527507 1199258406 /nfs/dbraw/zinc/25/84/06/1199258406.db2.gz XBQKTHOAFVCOFO-GVDBMIGSSA-N 2 1 382.549 0.839 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C3)no1 ZINC001002794429 1199270915 /nfs/dbraw/zinc/27/09/15/1199270915.db2.gz IPEHSCSVJQKGEP-SMKXDYDZSA-N 2 1 375.473 0.550 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C3)no1 ZINC001002794429 1199270919 /nfs/dbraw/zinc/27/09/19/1199270919.db2.gz IPEHSCSVJQKGEP-SMKXDYDZSA-N 2 1 375.473 0.550 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588505 1199275010 /nfs/dbraw/zinc/27/50/10/1199275010.db2.gz RCGWVXMKODJEEY-XYJFISCASA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588505 1199275013 /nfs/dbraw/zinc/27/50/13/1199275013.db2.gz RCGWVXMKODJEEY-XYJFISCASA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000672588505 1199275018 /nfs/dbraw/zinc/27/50/18/1199275018.db2.gz RCGWVXMKODJEEY-XYJFISCASA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000672588505 1199275020 /nfs/dbraw/zinc/27/50/20/1199275020.db2.gz RCGWVXMKODJEEY-XYJFISCASA-N 2 1 376.501 0.458 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672637816 1199290372 /nfs/dbraw/zinc/29/03/72/1199290372.db2.gz CUKKXEIDGBRUIM-AEFFLSMTSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672637816 1199290377 /nfs/dbraw/zinc/29/03/77/1199290377.db2.gz CUKKXEIDGBRUIM-AEFFLSMTSA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639539 1199291160 /nfs/dbraw/zinc/29/11/60/1199291160.db2.gz QDZJWBRFJIVVFR-MSOLQXFVSA-N 2 1 391.560 0.215 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)C2)CC1 ZINC000672639539 1199291164 /nfs/dbraw/zinc/29/11/64/1199291164.db2.gz QDZJWBRFJIVVFR-MSOLQXFVSA-N 2 1 391.560 0.215 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639407 1199293148 /nfs/dbraw/zinc/29/31/48/1199293148.db2.gz BZTOXRNUJCDBCZ-SJORKVTESA-N 2 1 379.549 0.262 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639407 1199293155 /nfs/dbraw/zinc/29/31/55/1199293155.db2.gz BZTOXRNUJCDBCZ-SJORKVTESA-N 2 1 379.549 0.262 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639076 1199293571 /nfs/dbraw/zinc/29/35/71/1199293571.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639076 1199293578 /nfs/dbraw/zinc/29/35/78/1199293578.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639076 1199293584 /nfs/dbraw/zinc/29/35/84/1199293584.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672639076 1199293589 /nfs/dbraw/zinc/29/35/89/1199293589.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672639076 1199293596 /nfs/dbraw/zinc/29/35/96/1199293596.db2.gz YOMNUBZJBRPQFQ-DLBZAZTESA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640205 1199296300 /nfs/dbraw/zinc/29/63/00/1199296300.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640205 1199296304 /nfs/dbraw/zinc/29/63/04/1199296304.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640205 1199296308 /nfs/dbraw/zinc/29/63/08/1199296308.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672640205 1199296310 /nfs/dbraw/zinc/29/63/10/1199296310.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672640205 1199296313 /nfs/dbraw/zinc/29/63/13/1199296313.db2.gz XHBDRGUPXDJMGT-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297895 /nfs/dbraw/zinc/29/78/95/1199297895.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297899 /nfs/dbraw/zinc/29/78/99/1199297899.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297901 /nfs/dbraw/zinc/29/79/01/1199297901.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297905 /nfs/dbraw/zinc/29/79/05/1199297905.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)C2)CC1 ZINC000672640970 1199297909 /nfs/dbraw/zinc/29/79/09/1199297909.db2.gz HTDDJIFMDCEYNY-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672641184 1199298216 /nfs/dbraw/zinc/29/82/16/1199298216.db2.gz MVUBACAVVBULLU-KRWDZBQOSA-N 2 1 379.549 0.260 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672641184 1199298220 /nfs/dbraw/zinc/29/82/20/1199298220.db2.gz MVUBACAVVBULLU-KRWDZBQOSA-N 2 1 379.549 0.260 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640632 1199298586 /nfs/dbraw/zinc/29/85/86/1199298586.db2.gz DYUADZDRMYOXQB-FUHWJXTLSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640632 1199298592 /nfs/dbraw/zinc/29/85/92/1199298592.db2.gz DYUADZDRMYOXQB-FUHWJXTLSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643002 1199306120 /nfs/dbraw/zinc/30/61/20/1199306120.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643002 1199306123 /nfs/dbraw/zinc/30/61/23/1199306123.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643002 1199306127 /nfs/dbraw/zinc/30/61/27/1199306127.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643002 1199306133 /nfs/dbraw/zinc/30/61/33/1199306133.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643002 1199306137 /nfs/dbraw/zinc/30/61/37/1199306137.db2.gz MLHWMPUOEILGLU-BZUAXINKSA-N 2 1 377.533 0.013 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672695615 1199314751 /nfs/dbraw/zinc/31/47/51/1199314751.db2.gz NGVFRSDJJJARHY-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672692647 1199317775 /nfs/dbraw/zinc/31/77/75/1199317775.db2.gz HIHOPNDJQWGLLR-MJGOQNOKSA-N 2 1 393.576 0.604 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672692647 1199317776 /nfs/dbraw/zinc/31/77/76/1199317776.db2.gz HIHOPNDJQWGLLR-MJGOQNOKSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000466001433 1199334393 /nfs/dbraw/zinc/33/43/93/1199334393.db2.gz XDXCMHICZPWJDI-MSOLQXFVSA-N 2 1 381.565 0.670 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000673014776 1199394220 /nfs/dbraw/zinc/39/42/20/1199394220.db2.gz XMEOERWNPKVOJY-LMMKCTJWSA-N 2 1 392.544 0.546 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001003193223 1199448653 /nfs/dbraw/zinc/44/86/53/1199448653.db2.gz JELCBHKUMQIHHY-NCOADZHNSA-N 2 1 376.501 0.051 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001003193223 1199448657 /nfs/dbraw/zinc/44/86/57/1199448657.db2.gz JELCBHKUMQIHHY-NCOADZHNSA-N 2 1 376.501 0.051 20 0 GCADMP COC1CC[NH+](CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)CC1 ZINC000673158387 1199460360 /nfs/dbraw/zinc/46/03/60/1199460360.db2.gz JZAKOXSILPPWGB-ALOPSCKCSA-N 2 1 395.548 0.480 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627342671 1199466385 /nfs/dbraw/zinc/46/63/85/1199466385.db2.gz MOKQKTDRZXLRFV-SJLPKXTDSA-N 2 1 376.501 0.447 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224136 1199488148 /nfs/dbraw/zinc/48/81/48/1199488148.db2.gz KKTCWSOXNSGCMP-SJLPKXTDSA-N 2 1 395.592 0.706 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224136 1199488151 /nfs/dbraw/zinc/48/81/51/1199488151.db2.gz KKTCWSOXNSGCMP-SJLPKXTDSA-N 2 1 395.592 0.706 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000265826412 1199496260 /nfs/dbraw/zinc/49/62/60/1199496260.db2.gz WQWWUZYQEPRVJC-QGZVFWFLSA-N 2 1 389.500 0.715 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)Nc2cccc(C[N@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000265826412 1199496263 /nfs/dbraw/zinc/49/62/63/1199496263.db2.gz WQWWUZYQEPRVJC-QGZVFWFLSA-N 2 1 389.500 0.715 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307631 1199531940 /nfs/dbraw/zinc/53/19/40/1199531940.db2.gz BPCQWKPQNWGSHO-MOPGFXCFSA-N 2 1 393.576 0.606 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000673337176 1199548520 /nfs/dbraw/zinc/54/85/20/1199548520.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337176 1199548522 /nfs/dbraw/zinc/54/85/22/1199548522.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673337176 1199548529 /nfs/dbraw/zinc/54/85/29/1199548529.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000673337176 1199548530 /nfs/dbraw/zinc/54/85/30/1199548530.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[NH+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000673337176 1199548536 /nfs/dbraw/zinc/54/85/36/1199548536.db2.gz QVFYSDYGAXQPQN-GOSISDBHSA-N 2 1 381.565 0.461 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000673337140 1199550262 /nfs/dbraw/zinc/55/02/62/1199550262.db2.gz HUMAJKXBGFCUAN-QZTJIDSGSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000673427676 1199630500 /nfs/dbraw/zinc/63/05/00/1199630500.db2.gz GRMBHUGKXJPGCN-IAGOWNOFSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000673427467 1199631859 /nfs/dbraw/zinc/63/18/59/1199631859.db2.gz MAPSKEOPGGXDJA-KRWDZBQOSA-N 2 1 389.500 0.347 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446529 1199664741 /nfs/dbraw/zinc/66/47/41/1199664741.db2.gz CSWHPQLQJDPPCX-CVEARBPZSA-N 2 1 382.574 0.921 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446529 1199664745 /nfs/dbraw/zinc/66/47/45/1199664745.db2.gz CSWHPQLQJDPPCX-CVEARBPZSA-N 2 1 382.574 0.921 20 0 GCADMP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCO1 ZINC000673469359 1199685994 /nfs/dbraw/zinc/68/59/94/1199685994.db2.gz GUFOWMNYVHZVJX-UHOSZYNNSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000673559335 1199799084 /nfs/dbraw/zinc/79/90/84/1199799084.db2.gz QHMLUHZGHILZGN-CRAIPNDOSA-N 2 1 379.505 0.930 20 0 GCADMP C[C@@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000673559335 1199799086 /nfs/dbraw/zinc/79/90/86/1199799086.db2.gz QHMLUHZGHILZGN-CRAIPNDOSA-N 2 1 379.505 0.930 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000673583414 1199826317 /nfs/dbraw/zinc/82/63/17/1199826317.db2.gz LOMAHNQJFNBWRC-OWYHZJEWSA-N 2 1 392.544 0.423 20 0 GCADMP O=C(NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000673583593 1199829519 /nfs/dbraw/zinc/82/95/19/1199829519.db2.gz GEOYONHTKDSQPP-ZWKOTPCHSA-N 2 1 378.517 0.035 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000673585362 1199831897 /nfs/dbraw/zinc/83/18/97/1199831897.db2.gz JUSFVPJGDVWWMK-ZWKOTPCHSA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3ccccc3S(C)(=O)=O)cn2)CC1 ZINC000922681224 1199851289 /nfs/dbraw/zinc/85/12/89/1199851289.db2.gz ZATKVZYJEJBPQX-UHFFFAOYSA-N 2 1 389.525 0.964 20 0 GCADMP Cc1cccc(NCCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[nH+]1 ZINC000922871473 1199887726 /nfs/dbraw/zinc/88/77/26/1199887726.db2.gz GNRMPFHAEYKVJI-UHFFFAOYSA-N 2 1 390.532 0.898 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925897 /nfs/dbraw/zinc/92/58/97/1199925897.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 2 1 386.540 0.908 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925898 /nfs/dbraw/zinc/92/58/98/1199925898.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925899 /nfs/dbraw/zinc/92/58/99/1199925899.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925901 /nfs/dbraw/zinc/92/59/01/1199925901.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668756 1199925902 /nfs/dbraw/zinc/92/59/02/1199925902.db2.gz IWJOLZLDXFKVQK-KNQAVFIVSA-N 3 1 386.540 0.908 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132556950 1199982901 /nfs/dbraw/zinc/98/29/01/1199982901.db2.gz YWEQVIAGGIGLQZ-OALUTQOASA-N 2 1 388.512 0.591 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2C[NH+](Cc3ccccc3)CCO2)C1 ZINC000132556950 1199982904 /nfs/dbraw/zinc/98/29/04/1199982904.db2.gz YWEQVIAGGIGLQZ-OALUTQOASA-N 2 1 388.512 0.591 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000132556950 1199982906 /nfs/dbraw/zinc/98/29/06/1199982906.db2.gz YWEQVIAGGIGLQZ-OALUTQOASA-N 2 1 388.512 0.591 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000132556950 1199982910 /nfs/dbraw/zinc/98/29/10/1199982910.db2.gz YWEQVIAGGIGLQZ-OALUTQOASA-N 2 1 388.512 0.591 20 0 GCADMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NCC(=O)NC(C)(C)C)CC2)CC1 ZINC000543520300 1200052915 /nfs/dbraw/zinc/05/29/15/1200052915.db2.gz YAZBGWMKMNROQU-UHFFFAOYSA-N 2 1 381.565 0.367 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030866 1200127843 /nfs/dbraw/zinc/12/78/43/1200127843.db2.gz OVSUTRGKBURVAI-QRVBRYPASA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030866 1200127846 /nfs/dbraw/zinc/12/78/46/1200127846.db2.gz OVSUTRGKBURVAI-QRVBRYPASA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030866 1200127851 /nfs/dbraw/zinc/12/78/51/1200127851.db2.gz OVSUTRGKBURVAI-QRVBRYPASA-N 2 1 381.565 0.907 20 0 GCADMP C[N@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666206 1200130951 /nfs/dbraw/zinc/13/09/51/1200130951.db2.gz NZRNWLWDFKKFQA-HBMCJLEFSA-N 2 1 386.540 0.855 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666206 1200130956 /nfs/dbraw/zinc/13/09/56/1200130956.db2.gz NZRNWLWDFKKFQA-HBMCJLEFSA-N 2 1 386.540 0.855 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)[C@@H](c2ccccc2)C1 ZINC000625666206 1200130962 /nfs/dbraw/zinc/13/09/62/1200130962.db2.gz NZRNWLWDFKKFQA-HBMCJLEFSA-N 2 1 386.540 0.855 20 0 GCADMP CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000543578712 1200168698 /nfs/dbraw/zinc/16/86/98/1200168698.db2.gz WKIMXRVGSQTXHS-MSOLQXFVSA-N 2 1 380.533 0.548 20 0 GCADMP CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000543578712 1200168711 /nfs/dbraw/zinc/16/87/11/1200168711.db2.gz WKIMXRVGSQTXHS-MSOLQXFVSA-N 2 1 380.533 0.548 20 0 GCADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000674328963 1200222578 /nfs/dbraw/zinc/22/25/78/1200222578.db2.gz VQNOQVODWDXRTG-KRWDZBQOSA-N 2 1 383.537 0.339 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOC(C)C)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129003864 1200408568 /nfs/dbraw/zinc/40/85/68/1200408568.db2.gz JUWRLYYUWAJNJX-MLHJIOFPSA-N 2 1 378.521 0.775 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOC(C)C)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129003864 1200408576 /nfs/dbraw/zinc/40/85/76/1200408576.db2.gz JUWRLYYUWAJNJX-MLHJIOFPSA-N 2 1 378.521 0.775 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOC(C)C)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129003864 1200408586 /nfs/dbraw/zinc/40/85/86/1200408586.db2.gz JUWRLYYUWAJNJX-MLHJIOFPSA-N 2 1 378.521 0.775 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129004735 1200410178 /nfs/dbraw/zinc/41/01/78/1200410178.db2.gz WAGYRRINGPBLQU-MANSERQUSA-N 2 1 390.532 0.777 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129004735 1200410185 /nfs/dbraw/zinc/41/01/85/1200410185.db2.gz WAGYRRINGPBLQU-MANSERQUSA-N 2 1 390.532 0.777 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004735 1200410190 /nfs/dbraw/zinc/41/01/90/1200410190.db2.gz WAGYRRINGPBLQU-MANSERQUSA-N 2 1 390.532 0.777 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004735 1200410201 /nfs/dbraw/zinc/41/02/01/1200410201.db2.gz WAGYRRINGPBLQU-MANSERQUSA-N 2 1 390.532 0.777 20 0 GCADMP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000675552632 1200432310 /nfs/dbraw/zinc/43/23/10/1200432310.db2.gz HULXVJXHXJZIAQ-BEFAXECRSA-N 2 1 387.488 0.039 20 0 GCADMP C[C@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676245044 1200515365 /nfs/dbraw/zinc/51/53/65/1200515365.db2.gz ZHCDYLVSOKAWIW-YJBOKZPZSA-N 2 1 391.516 0.496 20 0 GCADMP C[C@H](NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676245044 1200515370 /nfs/dbraw/zinc/51/53/70/1200515370.db2.gz ZHCDYLVSOKAWIW-YJBOKZPZSA-N 2 1 391.516 0.496 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676277605 1200526780 /nfs/dbraw/zinc/52/67/80/1200526780.db2.gz AOAHJWDAIWYYOJ-WMLDXEAASA-N 2 1 378.473 0.401 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676277605 1200526784 /nfs/dbraw/zinc/52/67/84/1200526784.db2.gz AOAHJWDAIWYYOJ-WMLDXEAASA-N 2 1 378.473 0.401 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1C[N@H+](C)CCO1 ZINC000676278234 1200526811 /nfs/dbraw/zinc/52/68/11/1200526811.db2.gz GJRXTPIZTPPDET-WMLDXEAASA-N 2 1 378.473 0.401 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000676278234 1200526815 /nfs/dbraw/zinc/52/68/15/1200526815.db2.gz GJRXTPIZTPPDET-WMLDXEAASA-N 2 1 378.473 0.401 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676279932 1200529338 /nfs/dbraw/zinc/52/93/38/1200529338.db2.gz RAJXBJOXSIUERC-DYVFJYSZSA-N 2 1 378.473 0.531 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279932 1200529341 /nfs/dbraw/zinc/52/93/41/1200529341.db2.gz RAJXBJOXSIUERC-DYVFJYSZSA-N 2 1 378.473 0.531 20 0 GCADMP C[C@H](NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676306520 1200541740 /nfs/dbraw/zinc/54/17/40/1200541740.db2.gz VHBZTKDZDCVTDI-ZSYWTGECSA-N 2 1 381.565 0.906 20 0 GCADMP C[C@H](NC(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[NH+](C)CCO1 ZINC000676306520 1200541745 /nfs/dbraw/zinc/54/17/45/1200541745.db2.gz VHBZTKDZDCVTDI-ZSYWTGECSA-N 2 1 381.565 0.906 20 0 GCADMP C[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000676306520 1200541753 /nfs/dbraw/zinc/54/17/53/1200541753.db2.gz VHBZTKDZDCVTDI-ZSYWTGECSA-N 2 1 381.565 0.906 20 0 GCADMP C[C@H](NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000676306520 1200541757 /nfs/dbraw/zinc/54/17/57/1200541757.db2.gz VHBZTKDZDCVTDI-ZSYWTGECSA-N 2 1 381.565 0.906 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)n2)CC1 ZINC000584875562 1200672412 /nfs/dbraw/zinc/67/24/12/1200672412.db2.gz JYVCOXAFAGSICG-UHFFFAOYSA-N 2 1 390.532 1.421 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369483798 1200686722 /nfs/dbraw/zinc/68/67/22/1200686722.db2.gz JUKMLMQFFWIJSM-HNNXBMFYSA-N 2 1 376.505 0.936 20 0 GCADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448484614 1200687170 /nfs/dbraw/zinc/68/71/70/1200687170.db2.gz SYIHOZRLIUYWSW-INIZCTEOSA-N 2 1 378.521 1.012 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1 ZINC000507207597 1200713296 /nfs/dbraw/zinc/71/32/96/1200713296.db2.gz FRVVRTLHWCWQDR-INIZCTEOSA-N 2 1 386.456 0.679 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000504614831 1200900136 /nfs/dbraw/zinc/90/01/36/1200900136.db2.gz PRPBNPNZRRRWBT-INIZCTEOSA-N 2 1 393.536 0.817 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373421 1200914951 /nfs/dbraw/zinc/91/49/51/1200914951.db2.gz RPHYMZITQUPSJW-AOIWGVFYSA-N 2 1 383.533 0.979 20 0 GCADMP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373421 1200914956 /nfs/dbraw/zinc/91/49/56/1200914956.db2.gz RPHYMZITQUPSJW-AOIWGVFYSA-N 2 1 383.533 0.979 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378180 1200973419 /nfs/dbraw/zinc/97/34/19/1200973419.db2.gz BZTPHHAFISQLMZ-QRQLOZEOSA-N 2 1 392.475 0.786 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000427556431 1201041085 /nfs/dbraw/zinc/04/10/85/1201041085.db2.gz ZHVQSIMGBFSCDM-UHFFFAOYSA-N 2 1 387.488 1.142 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)CC1 ZINC000611546483 1201245242 /nfs/dbraw/zinc/24/52/42/1201245242.db2.gz HAPSVRHBSHMJSX-QGZVFWFLSA-N 2 1 397.483 0.444 20 0 GCADMP COCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247138 1201249658 /nfs/dbraw/zinc/24/96/58/1201249658.db2.gz NMMRQMXGKKTTKX-XMTFNYHQSA-N 2 1 381.517 0.291 20 0 GCADMP COCC[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)[C@@H]3COC[C@@H]32)CC1 ZINC001079247138 1201249662 /nfs/dbraw/zinc/24/96/62/1201249662.db2.gz NMMRQMXGKKTTKX-XMTFNYHQSA-N 2 1 381.517 0.291 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(CC[NH+](CC(=O)NC)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243217 1201251499 /nfs/dbraw/zinc/25/14/99/1201251499.db2.gz SEIGGEMRGZPHCA-WNRNVDISSA-N 2 1 392.544 0.402 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2C)CC[N@@H+]1C ZINC001079730773 1201255244 /nfs/dbraw/zinc/25/52/44/1201255244.db2.gz OHLUCNGSGABHAH-YYIAUSFCSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3CCCS3(=O)=O)C[C@H]2C)CC[N@H+]1C ZINC001079730773 1201255246 /nfs/dbraw/zinc/25/52/46/1201255246.db2.gz OHLUCNGSGABHAH-YYIAUSFCSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3CCCS3(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001079730773 1201255250 /nfs/dbraw/zinc/25/52/50/1201255250.db2.gz OHLUCNGSGABHAH-YYIAUSFCSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3CCCS3(=O)=O)C[C@H]2C)CC[NH+]1C ZINC001079730773 1201255254 /nfs/dbraw/zinc/25/52/54/1201255254.db2.gz OHLUCNGSGABHAH-YYIAUSFCSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730561 1201255389 /nfs/dbraw/zinc/25/53/89/1201255389.db2.gz BVIRYPDFJBJFOK-BZZMCLGOSA-N 2 1 380.533 0.448 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC(=O)NC3CCOCC3)C[C@H]2C)CC[N@H+]1C ZINC001079730561 1201255395 /nfs/dbraw/zinc/25/53/95/1201255395.db2.gz BVIRYPDFJBJFOK-BZZMCLGOSA-N 2 1 380.533 0.448 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC(=O)NC3CCOCC3)C[C@H]2C)CC[NH+]1C ZINC001079730561 1201255399 /nfs/dbraw/zinc/25/53/99/1201255399.db2.gz BVIRYPDFJBJFOK-BZZMCLGOSA-N 2 1 380.533 0.448 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC(=O)NC3CCOCC3)C[C@H]2C)CC[NH+]1C ZINC001079730561 1201255404 /nfs/dbraw/zinc/25/54/04/1201255404.db2.gz BVIRYPDFJBJFOK-BZZMCLGOSA-N 2 1 380.533 0.448 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCN3CCCC3=O)C[C@H]2OC)CC[N@H+]1C ZINC001081700081 1201301619 /nfs/dbraw/zinc/30/16/19/1201301619.db2.gz NBLITCXWDHLTQV-BSDSXHPESA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCN3CCCC3=O)C[C@H]2OC)CC[NH+]1C ZINC001081700081 1201301628 /nfs/dbraw/zinc/30/16/28/1201301628.db2.gz NBLITCXWDHLTQV-BSDSXHPESA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCN3CCCC3=O)C[C@H]2OC)CC[NH+]1C ZINC001081700081 1201301635 /nfs/dbraw/zinc/30/16/35/1201301635.db2.gz NBLITCXWDHLTQV-BSDSXHPESA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]2OC)CC[N@@H+]1C ZINC001081699197 1201301762 /nfs/dbraw/zinc/30/17/62/1201301762.db2.gz ITHKDLAIWRWJNX-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(C(N)=O)cc3)C[C@H]2OC)CC[N@H+]1C ZINC001081699197 1201301768 /nfs/dbraw/zinc/30/17/68/1201301768.db2.gz ITHKDLAIWRWJNX-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2OC)CC[NH+]1C ZINC001081699197 1201301774 /nfs/dbraw/zinc/30/17/74/1201301774.db2.gz ITHKDLAIWRWJNX-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(C(N)=O)cc3)C[C@H]2OC)CC[NH+]1C ZINC001081699197 1201301775 /nfs/dbraw/zinc/30/17/75/1201301775.db2.gz ITHKDLAIWRWJNX-WJFTUGDTSA-N 2 1 388.512 0.831 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)o1 ZINC001082520168 1201336085 /nfs/dbraw/zinc/33/60/85/1201336085.db2.gz FDPFWGZEBCGRST-RRCSTGOVSA-N 2 1 383.514 0.960 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cc(=O)n4nccc4[nH]3)C2)CC[N@H+]1C ZINC001082522330 1201337089 /nfs/dbraw/zinc/33/70/89/1201337089.db2.gz AXSCGVZAOCKDOX-XLNGHYISSA-N 2 1 386.500 0.689 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001082520312 1201337276 /nfs/dbraw/zinc/33/72/76/1201337276.db2.gz OKRZGNYHGLTCKL-RGCMKSIDSA-N 2 1 387.488 0.346 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc2c(cnn2C)c(=O)[nH]1 ZINC001082520312 1201337282 /nfs/dbraw/zinc/33/72/82/1201337282.db2.gz OKRZGNYHGLTCKL-RGCMKSIDSA-N 2 1 387.488 0.346 20 0 GCADMP CCn1cc(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085710 1201382545 /nfs/dbraw/zinc/38/25/45/1201382545.db2.gz GZELQCSNKIQFMT-OQIJWPOYSA-N 2 1 375.517 0.697 20 0 GCADMP CCn1cc(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085710 1201382549 /nfs/dbraw/zinc/38/25/49/1201382549.db2.gz GZELQCSNKIQFMT-OQIJWPOYSA-N 2 1 375.517 0.697 20 0 GCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085710 1201382554 /nfs/dbraw/zinc/38/25/54/1201382554.db2.gz GZELQCSNKIQFMT-OQIJWPOYSA-N 2 1 375.517 0.697 20 0 GCADMP CCn1cc(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)cn1 ZINC001083085710 1201382556 /nfs/dbraw/zinc/38/25/56/1201382556.db2.gz GZELQCSNKIQFMT-OQIJWPOYSA-N 2 1 375.517 0.697 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4ccnn4C)C[C@@H]32)CC[N@H+]1C ZINC001083087463 1201383795 /nfs/dbraw/zinc/38/37/95/1201383795.db2.gz KZVTYQCCJCYFCS-ZSYWTGECSA-N 2 1 375.517 0.605 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4ccnn4C)C[C@@H]32)CC[NH+]1C ZINC001083087463 1201383804 /nfs/dbraw/zinc/38/38/04/1201383804.db2.gz KZVTYQCCJCYFCS-ZSYWTGECSA-N 2 1 375.517 0.605 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4ccnn4C)C[C@@H]32)CC[NH+]1C ZINC001083087463 1201383814 /nfs/dbraw/zinc/38/38/14/1201383814.db2.gz KZVTYQCCJCYFCS-ZSYWTGECSA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]32)CC[N@@H+]1C ZINC001083085854 1201384436 /nfs/dbraw/zinc/38/44/36/1201384436.db2.gz PPHRHMGZNBAUSL-OYYCAODRSA-N 2 1 385.468 0.975 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccc5nonc5c4)C[C@@H]32)CC[N@H+]1C ZINC001083085854 1201384440 /nfs/dbraw/zinc/38/44/40/1201384440.db2.gz PPHRHMGZNBAUSL-OYYCAODRSA-N 2 1 385.468 0.975 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccc5nonc5c4)C[C@@H]32)CC[NH+]1C ZINC001083085854 1201384443 /nfs/dbraw/zinc/38/44/43/1201384443.db2.gz PPHRHMGZNBAUSL-OYYCAODRSA-N 2 1 385.468 0.975 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccc5nonc5c4)C[C@@H]32)CC[NH+]1C ZINC001083085854 1201384448 /nfs/dbraw/zinc/38/44/48/1201384448.db2.gz PPHRHMGZNBAUSL-OYYCAODRSA-N 2 1 385.468 0.975 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4nnn(C(C)(C)C)n4)C[C@H]32)CC[N@@H+]1C ZINC001084355222 1201409996 /nfs/dbraw/zinc/40/99/96/1201409996.db2.gz MHZFGIAHCUDROU-QBPKDAKJSA-N 2 1 389.548 0.844 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCc4nnn(C(C)(C)C)n4)C[C@H]32)CC[N@H+]1C ZINC001084355222 1201410000 /nfs/dbraw/zinc/41/00/00/1201410000.db2.gz MHZFGIAHCUDROU-QBPKDAKJSA-N 2 1 389.548 0.844 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCc4nnn(C(C)(C)C)n4)C[C@H]32)CC[NH+]1C ZINC001084355222 1201410004 /nfs/dbraw/zinc/41/00/04/1201410004.db2.gz MHZFGIAHCUDROU-QBPKDAKJSA-N 2 1 389.548 0.844 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCc4nnn(C(C)(C)C)n4)C[C@H]32)CC[NH+]1C ZINC001084355222 1201410008 /nfs/dbraw/zinc/41/00/08/1201410008.db2.gz MHZFGIAHCUDROU-QBPKDAKJSA-N 2 1 389.548 0.844 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[N@@H+]1C ZINC001084355465 1201410091 /nfs/dbraw/zinc/41/00/91/1201410091.db2.gz ZNQPQBTUILJEQP-VDHUWJSZSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[N@H+]1C ZINC001084355465 1201410095 /nfs/dbraw/zinc/41/00/95/1201410095.db2.gz ZNQPQBTUILJEQP-VDHUWJSZSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001084355465 1201410099 /nfs/dbraw/zinc/41/00/99/1201410099.db2.gz ZNQPQBTUILJEQP-VDHUWJSZSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC4CCS(=O)(=O)CC4)C[C@H]32)CC[NH+]1C ZINC001084355465 1201410103 /nfs/dbraw/zinc/41/01/03/1201410103.db2.gz ZNQPQBTUILJEQP-VDHUWJSZSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)[C@H]3C2)O1 ZINC001084970115 1201513975 /nfs/dbraw/zinc/51/39/75/1201513975.db2.gz OUBIUMFHWFRORN-OQIJWPOYSA-N 2 1 388.512 0.527 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](Cc4ccn(C)c(=O)c4)[C@H]3C2)O1 ZINC001084970115 1201513980 /nfs/dbraw/zinc/51/39/80/1201513980.db2.gz OUBIUMFHWFRORN-OQIJWPOYSA-N 2 1 388.512 0.527 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](Cc4ccn(C)c(=O)c4)[C@H]3C2)O1 ZINC001084970115 1201513984 /nfs/dbraw/zinc/51/39/84/1201513984.db2.gz OUBIUMFHWFRORN-OQIJWPOYSA-N 2 1 388.512 0.527 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](Cc4ccn(C)c(=O)c4)[C@H]3C2)O1 ZINC001084970115 1201513990 /nfs/dbraw/zinc/51/39/90/1201513990.db2.gz OUBIUMFHWFRORN-OQIJWPOYSA-N 2 1 388.512 0.527 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CCC2=O)CC[N@H+]1C ZINC001085204862 1201634524 /nfs/dbraw/zinc/63/45/24/1201634524.db2.gz OBQRNTDOHMFTSC-YLFCFFPRSA-N 2 1 378.517 0.883 20 0 GCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734268027 1201648786 /nfs/dbraw/zinc/64/87/86/1201648786.db2.gz UTALSJRHNKDBBD-SFHVURJKSA-N 2 1 381.565 0.955 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415836 1201778691 /nfs/dbraw/zinc/77/86/91/1201778691.db2.gz XSLGKMJNYHBLKO-SBHAEUEKSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415836 1201778695 /nfs/dbraw/zinc/77/86/95/1201778695.db2.gz XSLGKMJNYHBLKO-SBHAEUEKSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415836 1201778701 /nfs/dbraw/zinc/77/87/01/1201778701.db2.gz XSLGKMJNYHBLKO-SBHAEUEKSA-N 2 1 388.512 0.786 20 0 GCADMP C[NH+]1CC[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000742567663 1201802025 /nfs/dbraw/zinc/80/20/25/1201802025.db2.gz SRKVBZFTOATQAP-RYUDHWBXSA-N 2 1 382.402 0.393 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1nc(CC[NH3+])nc1C ZINC001168986398 1201930329 /nfs/dbraw/zinc/93/03/29/1201930329.db2.gz ZQJWEUBRURSYMV-CQSZACIVSA-N 2 1 390.488 0.578 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001169167749 1201934532 /nfs/dbraw/zinc/93/45/32/1201934532.db2.gz KZYOTIARQBJZOT-HUUCEWRRSA-N 2 1 376.505 0.534 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001169170674 1201937069 /nfs/dbraw/zinc/93/70/69/1201937069.db2.gz ZXLSWYCLFCHRMP-CVEARBPZSA-N 2 1 390.532 0.924 20 0 GCADMP CC[NH+]1CCC([N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169254980 1201940967 /nfs/dbraw/zinc/94/09/67/1201940967.db2.gz LHQOGMPXZVHSDL-NVXWUHKLSA-N 2 1 386.562 0.285 20 0 GCADMP CC[NH+]1CCC([N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CC1 ZINC001169254980 1201940968 /nfs/dbraw/zinc/94/09/68/1201940968.db2.gz LHQOGMPXZVHSDL-NVXWUHKLSA-N 2 1 386.562 0.285 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389899 1201944908 /nfs/dbraw/zinc/94/49/08/1201944908.db2.gz UCVQSQVSMVVOLN-PKOBYXMFSA-N 2 1 391.512 0.921 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389897 1201944996 /nfs/dbraw/zinc/94/49/96/1201944996.db2.gz UCVQSQVSMVVOLN-MJGOQNOKSA-N 2 1 391.512 0.921 20 0 GCADMP C[C@@H]1C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000767612675 1201979486 /nfs/dbraw/zinc/97/94/86/1201979486.db2.gz QUIPDUUIBDOUPD-APWZRJJASA-N 2 1 380.558 0.834 20 0 GCADMP O[C@H]1CCCC[C@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767693043 1201982997 /nfs/dbraw/zinc/98/29/97/1201982997.db2.gz XUNFSXWFOASOOS-MSOLQXFVSA-N 2 1 384.590 0.941 20 0 GCADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767693049 1201983005 /nfs/dbraw/zinc/98/30/05/1201983005.db2.gz XUNFSXWFOASOOS-ROUUACIJSA-N 2 1 384.590 0.941 20 0 GCADMP Cn1c(Cl)ncc1S(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000769404488 1202056677 /nfs/dbraw/zinc/05/66/77/1202056677.db2.gz XVMISPWJHZDFDI-UHFFFAOYSA-N 2 1 398.920 0.959 20 0 GCADMP COCCOC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485056 1202061314 /nfs/dbraw/zinc/06/13/14/1202061314.db2.gz IHLRFXVLTZDPLZ-OWSLCNJRSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@@H]1CCCO1 ZINC001109847783 1202134802 /nfs/dbraw/zinc/13/48/02/1202134802.db2.gz HFLCFDSKLZEXFC-XWSJACJDSA-N 2 1 381.517 0.626 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@@H]1CCCO1 ZINC001109847783 1202134803 /nfs/dbraw/zinc/13/48/03/1202134803.db2.gz HFLCFDSKLZEXFC-XWSJACJDSA-N 2 1 381.517 0.626 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109847902 1202134968 /nfs/dbraw/zinc/13/49/68/1202134968.db2.gz MYQVHOUYBOMLBB-BDXSIMOUSA-N 2 1 378.517 0.347 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC001109847902 1202134969 /nfs/dbraw/zinc/13/49/69/1202134969.db2.gz MYQVHOUYBOMLBB-BDXSIMOUSA-N 2 1 378.517 0.347 20 0 GCADMP Cc1noc(CCC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)n1 ZINC001109847972 1202134997 /nfs/dbraw/zinc/13/49/97/1202134997.db2.gz PQMUGDJDUSIKJW-IKGGRYGDSA-N 2 1 377.489 0.754 20 0 GCADMP Cc1noc(CCC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)n1 ZINC001109847972 1202134998 /nfs/dbraw/zinc/13/49/98/1202134998.db2.gz PQMUGDJDUSIKJW-IKGGRYGDSA-N 2 1 377.489 0.754 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868170 1202139849 /nfs/dbraw/zinc/13/98/49/1202139849.db2.gz FDQJXFYLCGDIMF-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868170 1202139851 /nfs/dbraw/zinc/13/98/51/1202139851.db2.gz FDQJXFYLCGDIMF-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771766105 1202161907 /nfs/dbraw/zinc/16/19/07/1202161907.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766105 1202161909 /nfs/dbraw/zinc/16/19/09/1202161909.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766105 1202161911 /nfs/dbraw/zinc/16/19/11/1202161911.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766105 1202161913 /nfs/dbraw/zinc/16/19/13/1202161913.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766105 1202161914 /nfs/dbraw/zinc/16/19/14/1202161914.db2.gz QIZGTJPNXMXJRI-OTWHNJEPSA-N 2 1 379.549 0.660 20 0 GCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCC(F)(F)F ZINC001110017625 1202175790 /nfs/dbraw/zinc/17/57/90/1202175790.db2.gz FUMAYXUDSMDONC-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001110017625 1202175791 /nfs/dbraw/zinc/17/57/91/1202175791.db2.gz FUMAYXUDSMDONC-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001110017625 1202175792 /nfs/dbraw/zinc/17/57/92/1202175792.db2.gz FUMAYXUDSMDONC-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1C(=O)CNC1=O ZINC001110019277 1202176489 /nfs/dbraw/zinc/17/64/89/1202176489.db2.gz PANSTQYORUEVTK-PMPSAXMXSA-N 2 1 379.505 0.382 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001110019277 1202176493 /nfs/dbraw/zinc/17/64/93/1202176493.db2.gz PANSTQYORUEVTK-PMPSAXMXSA-N 2 1 379.505 0.382 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O ZINC001110019277 1202176496 /nfs/dbraw/zinc/17/64/96/1202176496.db2.gz PANSTQYORUEVTK-PMPSAXMXSA-N 2 1 379.505 0.382 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613628 1205395184 /nfs/dbraw/zinc/39/51/84/1205395184.db2.gz AUOLLPGTNADBRJ-GUDVDZBRSA-N 2 1 394.560 0.839 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788566244 1205425767 /nfs/dbraw/zinc/42/57/67/1205425767.db2.gz ZMLAIOUCSANYAG-DLBZAZTESA-N 2 1 382.468 0.935 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788566244 1205425769 /nfs/dbraw/zinc/42/57/69/1205425769.db2.gz ZMLAIOUCSANYAG-DLBZAZTESA-N 2 1 382.468 0.935 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371030 1205463833 /nfs/dbraw/zinc/46/38/33/1205463833.db2.gz OCOZAMTVGVCROK-JXXFODFXSA-N 2 1 394.516 0.724 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371030 1205463835 /nfs/dbraw/zinc/46/38/35/1205463835.db2.gz OCOZAMTVGVCROK-JXXFODFXSA-N 2 1 394.516 0.724 20 0 GCADMP COCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792147340 1205484207 /nfs/dbraw/zinc/48/42/07/1205484207.db2.gz AAMCKFNJESIHTK-INIZCTEOSA-N 2 1 384.521 0.766 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000792147340 1205484208 /nfs/dbraw/zinc/48/42/08/1205484208.db2.gz AAMCKFNJESIHTK-INIZCTEOSA-N 2 1 384.521 0.766 20 0 GCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(C(=O)N3CC[NH+](C)CC3)ccn2)O1 ZINC001170271206 1205490181 /nfs/dbraw/zinc/49/01/81/1205490181.db2.gz VKOBNDWSYBNBGN-GPMSIDNRSA-N 2 1 377.489 0.606 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCCCC1 ZINC000793721078 1205503585 /nfs/dbraw/zinc/50/35/85/1205503585.db2.gz SNQXAFAYBFBPSS-IAGOWNOFSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000793696668 1205503982 /nfs/dbraw/zinc/50/39/82/1205503982.db2.gz HFGHNIBOZLCKBA-QGZVFWFLSA-N 2 1 381.565 0.461 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000793696668 1205503984 /nfs/dbraw/zinc/50/39/84/1205503984.db2.gz HFGHNIBOZLCKBA-QGZVFWFLSA-N 2 1 381.565 0.461 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702053 1205504256 /nfs/dbraw/zinc/50/42/56/1205504256.db2.gz RXPSMYCTYWTJPA-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701018 1205504294 /nfs/dbraw/zinc/50/42/94/1205504294.db2.gz NNUWPQKBZKTRCT-PKOBYXMFSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701018 1205504295 /nfs/dbraw/zinc/50/42/95/1205504295.db2.gz NNUWPQKBZKTRCT-PKOBYXMFSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000804379709 1205515111 /nfs/dbraw/zinc/51/51/11/1205515111.db2.gz OWTIGAWPITVZHQ-ROUUACIJSA-N 2 1 398.548 0.125 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129849921 1205520938 /nfs/dbraw/zinc/52/09/38/1205520938.db2.gz BRZYWVVFRNJSDJ-MANSERQUSA-N 2 1 390.532 0.919 20 0 GCADMP CCCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857840 1205521230 /nfs/dbraw/zinc/52/12/30/1205521230.db2.gz HCXGQFHYDPLHPR-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP CC(C)OCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129857707 1205521307 /nfs/dbraw/zinc/52/13/07/1205521307.db2.gz FNHIJRUDMPMFFF-TVFCKZIOSA-N 2 1 378.521 0.775 20 0 GCADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912606 1205522938 /nfs/dbraw/zinc/52/29/38/1205522938.db2.gz RCGXOXXQJCWDKI-JMXBOANYSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912606 1205522940 /nfs/dbraw/zinc/52/29/40/1205522940.db2.gz RCGXOXXQJCWDKI-JMXBOANYSA-N 2 1 376.505 0.695 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000806502852 1205557843 /nfs/dbraw/zinc/55/78/43/1205557843.db2.gz JDLJXKMMOPDZNO-NEWSRXKRSA-N 2 1 393.576 0.602 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000806502852 1205557845 /nfs/dbraw/zinc/55/78/45/1205557845.db2.gz JDLJXKMMOPDZNO-NEWSRXKRSA-N 2 1 393.576 0.602 20 0 GCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994405 1205585071 /nfs/dbraw/zinc/58/50/71/1205585071.db2.gz YYLAGEOXLZUWBH-QBPKDAKJSA-N 2 1 390.532 0.171 20 0 GCADMP NC(=O)C[C@@H]1CC[N@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227807 1205603043 /nfs/dbraw/zinc/60/30/43/1205603043.db2.gz DNWPHFZXQSOBPU-LAUBAEHRSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@@H]1CC[N@@H+](CN2C(=O)N[C@@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227807 1205603044 /nfs/dbraw/zinc/60/30/44/1205603044.db2.gz DNWPHFZXQSOBPU-LAUBAEHRSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@@H]1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227807 1205603045 /nfs/dbraw/zinc/60/30/45/1205603045.db2.gz DNWPHFZXQSOBPU-LAUBAEHRSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@@H]1CC[NH+](CN2C(=O)N[C@@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227807 1205603046 /nfs/dbraw/zinc/60/30/46/1205603046.db2.gz DNWPHFZXQSOBPU-LAUBAEHRSA-N 2 1 399.495 0.728 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000809441639 1205625146 /nfs/dbraw/zinc/62/51/46/1205625146.db2.gz HZEXFVBYAZSPOP-YJBOKZPZSA-N 2 1 376.501 0.542 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000809441639 1205625147 /nfs/dbraw/zinc/62/51/47/1205625147.db2.gz HZEXFVBYAZSPOP-YJBOKZPZSA-N 2 1 376.501 0.542 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@H]1C[NH2+]C[C@H]1CO ZINC001170774670 1205697229 /nfs/dbraw/zinc/69/72/29/1205697229.db2.gz MMYRABWLWJHGRH-BPUTZDHNSA-N 2 1 380.489 0.179 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]1C[NH2+]C[C@H]1CO ZINC001170774671 1205697297 /nfs/dbraw/zinc/69/72/97/1205697297.db2.gz MMYRABWLWJHGRH-CWRNSKLLSA-N 2 1 380.489 0.179 20 0 GCADMP O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@]1(CO)COCC[NH2+]1 ZINC001171662439 1205708773 /nfs/dbraw/zinc/70/87/73/1205708773.db2.gz YTZXEYBOHOSWEQ-IBGZPJMESA-N 2 1 396.919 0.319 20 0 GCADMP COC(=O)[C@H](CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)CNC(C)=O ZINC001172112795 1205713260 /nfs/dbraw/zinc/71/32/60/1205713260.db2.gz FGHXERYHWLPOFE-FJIDUMEYSA-N 2 1 396.532 0.556 20 0 GCADMP CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)C1 ZINC001172176973 1205714181 /nfs/dbraw/zinc/71/41/81/1205714181.db2.gz ZNWNRISAKHZPHK-MSOLQXFVSA-N 2 1 392.544 0.642 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC2)C1 ZINC001172176973 1205714183 /nfs/dbraw/zinc/71/41/83/1205714183.db2.gz ZNWNRISAKHZPHK-MSOLQXFVSA-N 2 1 392.544 0.642 20 0 GCADMP COCCCN1CCC([NH2+]CCOCCOCCOCCOCC[NH3+])CC1 ZINC001172248048 1205714839 /nfs/dbraw/zinc/71/48/39/1205714839.db2.gz VAJQROGCTIKSTL-UHFFFAOYSA-N 2 1 391.553 0.102 20 0 GCADMP CC[N@@H+]1CC[C@@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001173359619 1205719916 /nfs/dbraw/zinc/71/99/16/1205719916.db2.gz FOKWTUAYLJWVGP-IXDOHACOSA-N 2 1 391.541 0.444 20 0 GCADMP CC[N@H+]1CC[C@@H](n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)C1 ZINC001173359619 1205719918 /nfs/dbraw/zinc/71/99/18/1205719918.db2.gz FOKWTUAYLJWVGP-IXDOHACOSA-N 2 1 391.541 0.444 20 0 GCADMP COC(=O)[C@@H]1C[C@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173583344 1205725140 /nfs/dbraw/zinc/72/51/40/1205725140.db2.gz QCADPZJRMXTLIX-BJWYYQGGSA-N 2 1 395.500 0.213 20 0 GCADMP C[NH+](C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccn[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001175762213 1205741067 /nfs/dbraw/zinc/74/10/67/1205741067.db2.gz QIMDXQZJMQBGQJ-LZDZAVHKSA-N 2 1 397.520 0.248 20 0 GCADMP CN(C)C(=O)COc1ccccc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001177753333 1205776265 /nfs/dbraw/zinc/77/62/65/1205776265.db2.gz CVVSVWMNYCNRCS-QGZVFWFLSA-N 2 1 376.501 0.831 20 0 GCADMP CN(C)C(=O)COc1ccccc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001177753333 1205776267 /nfs/dbraw/zinc/77/62/67/1205776267.db2.gz CVVSVWMNYCNRCS-QGZVFWFLSA-N 2 1 376.501 0.831 20 0 GCADMP Cc1ccc(N(C(=O)CN2CC[NH+](C)CC2)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001178949801 1205797466 /nfs/dbraw/zinc/79/74/66/1205797466.db2.gz WXKPDDQTTRGFCX-YLJYHZDGSA-N 2 1 388.516 0.277 20 0 GCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)NCC[NH+]3CC4(COC4)C3)CC2)CC1 ZINC001179014708 1205799601 /nfs/dbraw/zinc/79/96/01/1205799601.db2.gz LRPXSDDFUWXUHH-UHFFFAOYSA-N 2 1 378.517 0.158 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001180406798 1205824777 /nfs/dbraw/zinc/82/47/77/1205824777.db2.gz PNUMTQHTBXGBII-ZWKOTPCHSA-N 2 1 395.463 0.703 20 0 GCADMP CC(C)[N@H+](C)Cc1n[nH]c2c1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180609377 1205828294 /nfs/dbraw/zinc/82/82/94/1205828294.db2.gz UKZBNVJLHAWLCV-UHFFFAOYSA-N 2 1 390.532 0.722 20 0 GCADMP CC(C)[N@@H+](C)Cc1n[nH]c2c1CCN(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001180609377 1205828295 /nfs/dbraw/zinc/82/82/95/1205828295.db2.gz UKZBNVJLHAWLCV-UHFFFAOYSA-N 2 1 390.532 0.722 20 0 GCADMP NC(=O)C1CC[NH+](CCC(=O)N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)CC1 ZINC001180609755 1205828536 /nfs/dbraw/zinc/82/85/36/1205828536.db2.gz XNJRLIVKNXDONI-RBUKOAKNSA-N 2 1 385.512 0.844 20 0 GCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[NH+]3C2)C1 ZINC001180761027 1205831778 /nfs/dbraw/zinc/83/17/78/1205831778.db2.gz SUCZQXDZEQRTCF-PMPSAXMXSA-N 2 1 382.505 0.374 20 0 GCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[NH+]3C2)C1 ZINC001180761027 1205831781 /nfs/dbraw/zinc/83/17/81/1205831781.db2.gz SUCZQXDZEQRTCF-PMPSAXMXSA-N 2 1 382.505 0.374 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)C1 ZINC001180761027 1205831783 /nfs/dbraw/zinc/83/17/83/1205831783.db2.gz SUCZQXDZEQRTCF-PMPSAXMXSA-N 2 1 382.505 0.374 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)C1 ZINC001180761027 1205831785 /nfs/dbraw/zinc/83/17/85/1205831785.db2.gz SUCZQXDZEQRTCF-PMPSAXMXSA-N 2 1 382.505 0.374 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC34CCC[NH+]3CCC4)C2)C1 ZINC001181107543 1205838374 /nfs/dbraw/zinc/83/83/74/1205838374.db2.gz ZOSHXIGVOQXFLR-FQEVSTJZSA-N 2 1 392.544 0.692 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC34CCC[NH+]3CCC4)C2)C1 ZINC001181107543 1205838376 /nfs/dbraw/zinc/83/83/76/1205838376.db2.gz ZOSHXIGVOQXFLR-FQEVSTJZSA-N 2 1 392.544 0.692 20 0 GCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CCN2C ZINC001181996357 1205852780 /nfs/dbraw/zinc/85/27/80/1205852780.db2.gz PKZNKIOQOQSCQA-SFHVURJKSA-N 2 1 393.576 0.558 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1 ZINC001181987228 1205852995 /nfs/dbraw/zinc/85/29/95/1205852995.db2.gz TZFMWMOZMKORDK-FQEVSTJZSA-N 2 1 380.533 0.405 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1 ZINC001181987228 1205852998 /nfs/dbraw/zinc/85/29/98/1205852998.db2.gz TZFMWMOZMKORDK-FQEVSTJZSA-N 2 1 380.533 0.405 20 0 GCADMP C[N@H+](CC(=O)NC1(CO)CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816741 1205900560 /nfs/dbraw/zinc/90/05/60/1205900560.db2.gz JZMNJOVUHLEPGJ-MRXNPFEDSA-N 2 1 398.548 0.891 20 0 GCADMP C[N@@H+](CC(=O)NC1(CO)CC[NH+](C)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816741 1205900561 /nfs/dbraw/zinc/90/05/61/1205900561.db2.gz JZMNJOVUHLEPGJ-MRXNPFEDSA-N 2 1 398.548 0.891 20 0 GCADMP CO[C@@H]1CCN(C(=O)[C@@H]2C[NH+](C)CCN2C)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001185252716 1205919252 /nfs/dbraw/zinc/91/92/52/1205919252.db2.gz UCAAJAXKVWYMHB-ZGXWSNOMSA-N 2 1 387.528 0.375 20 0 GCADMP CO[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCN2C)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001185252716 1205919254 /nfs/dbraw/zinc/91/92/54/1205919254.db2.gz UCAAJAXKVWYMHB-ZGXWSNOMSA-N 2 1 387.528 0.375 20 0 GCADMP CO[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCN2C)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001185252716 1205919255 /nfs/dbraw/zinc/91/92/55/1205919255.db2.gz UCAAJAXKVWYMHB-ZGXWSNOMSA-N 2 1 387.528 0.375 20 0 GCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774865218 1205921834 /nfs/dbraw/zinc/92/18/34/1205921834.db2.gz HNQCGWXNFIGLRD-BRWVUGGUSA-N 2 1 390.484 0.512 20 0 GCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000774865218 1205921835 /nfs/dbraw/zinc/92/18/35/1205921835.db2.gz HNQCGWXNFIGLRD-BRWVUGGUSA-N 2 1 390.484 0.512 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCC(COCC[NH+]3CCCC3)CC2)C1 ZINC001186098938 1205934788 /nfs/dbraw/zinc/93/47/88/1205934788.db2.gz HSGSOGWJNYMWEP-SFHVURJKSA-N 2 1 381.517 0.832 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+]2CCCC[C@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850050 1205949060 /nfs/dbraw/zinc/94/90/60/1205949060.db2.gz UKHVCIKJUALUOZ-CABCVRRESA-N 2 1 382.505 0.694 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+]2CCCC[C@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850050 1205949061 /nfs/dbraw/zinc/94/90/61/1205949061.db2.gz UKHVCIKJUALUOZ-CABCVRRESA-N 2 1 382.505 0.694 20 0 GCADMP CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])C1 ZINC001186810996 1205949434 /nfs/dbraw/zinc/94/94/34/1205949434.db2.gz NTBNFLNUKYAHPY-KUHUBIRLSA-N 2 1 396.488 0.558 20 0 GCADMP CCS(=O)(=O)NCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958211 1205972166 /nfs/dbraw/zinc/97/21/66/1205972166.db2.gz KRNXOTZCSUJASX-YYIAUSFCSA-N 2 1 386.562 0.189 20 0 GCADMP CCS(=O)(=O)NCCC[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958211 1205972168 /nfs/dbraw/zinc/97/21/68/1205972168.db2.gz KRNXOTZCSUJASX-YYIAUSFCSA-N 2 1 386.562 0.189 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCNC(=O)NC(C)C)C[C@H]32)CC[N@H+]1C ZINC001187971222 1205972660 /nfs/dbraw/zinc/97/26/60/1205972660.db2.gz FHKSRTCCJXWMKA-WNRNVDISSA-N 2 1 379.549 0.957 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCNC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001187971222 1205972662 /nfs/dbraw/zinc/97/26/62/1205972662.db2.gz FHKSRTCCJXWMKA-WNRNVDISSA-N 2 1 379.549 0.957 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCNC(=O)NC(C)C)C[C@H]32)CC[NH+]1C ZINC001187971222 1205972664 /nfs/dbraw/zinc/97/26/64/1205972664.db2.gz FHKSRTCCJXWMKA-WNRNVDISSA-N 2 1 379.549 0.957 20 0 GCADMP CCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971134 1205972955 /nfs/dbraw/zinc/97/29/55/1205972955.db2.gz BSNRAYRSSKCLHQ-MWDXBVQZSA-N 2 1 393.532 0.485 20 0 GCADMP CCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971134 1205972958 /nfs/dbraw/zinc/97/29/58/1205972958.db2.gz BSNRAYRSSKCLHQ-MWDXBVQZSA-N 2 1 393.532 0.485 20 0 GCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971134 1205972961 /nfs/dbraw/zinc/97/29/61/1205972961.db2.gz BSNRAYRSSKCLHQ-MWDXBVQZSA-N 2 1 393.532 0.485 20 0 GCADMP CCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971134 1205972962 /nfs/dbraw/zinc/97/29/62/1205972962.db2.gz BSNRAYRSSKCLHQ-MWDXBVQZSA-N 2 1 393.532 0.485 20 0 GCADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(n2)N(C)[C@H](C)C(=O)N3)c2c1CC[NH2+]C2 ZINC001164681611 719623377 /nfs/dbraw/zinc/62/33/77/719623377.db2.gz IYLQHSIDWSEUIR-GFCCVEGCSA-N 2 1 384.488 0.925 20 0 GCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(n2)N(C)[C@H](C)C(=O)N3)c2c1CC[NH2+]C2 ZINC001164681611 719623383 /nfs/dbraw/zinc/62/33/83/719623383.db2.gz IYLQHSIDWSEUIR-GFCCVEGCSA-N 2 1 384.488 0.925 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(OC3CC[NH2+]CC3)nn1)CC2 ZINC001164689836 719742492 /nfs/dbraw/zinc/74/24/92/719742492.db2.gz LGVCCVOLQZHOEN-UHFFFAOYSA-N 2 1 388.516 0.788 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[NH2+]CC3)CCC2 ZINC001164811706 720209679 /nfs/dbraw/zinc/20/96/79/720209679.db2.gz JVASGQQJBJFWGR-UHFFFAOYSA-N 2 1 397.527 0.972 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncnc3c1CC[NH2+]C3)CCC2 ZINC001164814130 720216261 /nfs/dbraw/zinc/21/62/61/720216261.db2.gz SXWNKMYLXGYHME-UHFFFAOYSA-N 2 1 383.500 0.930 20 0 GCADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740372 720725822 /nfs/dbraw/zinc/72/58/22/720725822.db2.gz KJSJGPCVSVLVND-ROUUACIJSA-N 2 1 395.511 0.965 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737768 720738638 /nfs/dbraw/zinc/73/86/38/720738638.db2.gz CQNKYZCTCRIWHV-MSOLQXFVSA-N 2 1 381.484 0.623 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164848706 720841207 /nfs/dbraw/zinc/84/12/07/720841207.db2.gz AWOCVEMXRKKPIE-IRXDYDNUSA-N 2 1 376.505 0.060 20 0 GCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@H]2C1 ZINC001164859555 720864296 /nfs/dbraw/zinc/86/42/96/720864296.db2.gz UMJNCXWABUDSJR-DLBZAZTESA-N 2 1 377.489 0.487 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@H]2C1 ZINC001164859555 720864298 /nfs/dbraw/zinc/86/42/98/720864298.db2.gz UMJNCXWABUDSJR-DLBZAZTESA-N 2 1 377.489 0.487 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3nccc(N4CCC([NH3+])CC4)n3)CC[C@H]2C1 ZINC001164856077 720865482 /nfs/dbraw/zinc/86/54/82/720865482.db2.gz OJGDDOSSXODAMW-WMZOPIPTSA-N 2 1 390.532 0.578 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164749202 720955991 /nfs/dbraw/zinc/95/59/91/720955991.db2.gz AUOPFZKXQPXTJK-UHFFFAOYSA-N 2 1 386.412 0.255 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@H]3C2)cn1 ZINC001164762682 721080832 /nfs/dbraw/zinc/08/08/32/721080832.db2.gz FFHBNUDWHSDLMH-RBUKOAKNSA-N 2 1 396.543 0.920 20 0 GCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889747 721391146 /nfs/dbraw/zinc/39/11/46/721391146.db2.gz MAAUJZRDXAFCHD-RXVVDRJESA-N 2 1 386.544 0.888 20 0 GCADMP C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884297 721453628 /nfs/dbraw/zinc/45/36/28/721453628.db2.gz AOZFGKDUFGOFFL-RXVVDRJESA-N 2 1 386.544 0.929 20 0 GCADMP C[NH+](C)[C@@H]1CCCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001165034412 721886803 /nfs/dbraw/zinc/88/68/03/721886803.db2.gz DQMXEZUOZMGTCG-OAHLLOKOSA-N 2 1 377.493 0.075 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001571259057 945375541 /nfs/dbraw/zinc/37/55/41/945375541.db2.gz CGGVDSLFWDBWSU-WTTBNOFXSA-N 2 1 385.447 0.646 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001571259057 945375548 /nfs/dbraw/zinc/37/55/48/945375548.db2.gz CGGVDSLFWDBWSU-WTTBNOFXSA-N 2 1 385.447 0.646 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C[C@H]21 ZINC001571259057 945375558 /nfs/dbraw/zinc/37/55/58/945375558.db2.gz CGGVDSLFWDBWSU-WTTBNOFXSA-N 2 1 385.447 0.646 20 0 GCADMP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264500 945486227 /nfs/dbraw/zinc/48/62/27/945486227.db2.gz QECVMIMIPHWCLO-LSDHHAIUSA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264500 945486233 /nfs/dbraw/zinc/48/62/33/945486233.db2.gz QECVMIMIPHWCLO-LSDHHAIUSA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264500 945486237 /nfs/dbraw/zinc/48/62/37/945486237.db2.gz QECVMIMIPHWCLO-LSDHHAIUSA-N 2 1 385.472 0.518 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821276217 945664218 /nfs/dbraw/zinc/66/42/18/945664218.db2.gz IOSVHFRNAJXXEU-KRWDZBQOSA-N 2 1 387.488 0.478 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821276217 945664222 /nfs/dbraw/zinc/66/42/22/945664222.db2.gz IOSVHFRNAJXXEU-KRWDZBQOSA-N 2 1 387.488 0.478 20 0 GCADMP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000821701957 945834824 /nfs/dbraw/zinc/83/48/24/945834824.db2.gz BPFHNMRGAUHTRA-UHFFFAOYSA-N 2 1 389.504 0.823 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282697 945859525 /nfs/dbraw/zinc/85/95/25/945859525.db2.gz NXCNATIMBCQGDZ-DZGCQCFKSA-N 2 1 387.463 0.896 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000825918710 947370142 /nfs/dbraw/zinc/37/01/42/947370142.db2.gz JSPVGXQZJKFHTL-UHFFFAOYSA-N 2 1 392.533 0.826 20 0 GCADMP CS(=O)(=O)NCCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826223091 947659811 /nfs/dbraw/zinc/65/98/11/947659811.db2.gz ATIYMKAABMIRSA-UHFFFAOYSA-N 2 1 393.517 0.360 20 0 GCADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711823 949557696 /nfs/dbraw/zinc/55/76/96/949557696.db2.gz MRENOUYMJBLSBO-CHWSQXEVSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713093 949593170 /nfs/dbraw/zinc/59/31/70/949593170.db2.gz VWTGTFJRWUMBME-BLLLJJGKSA-N 2 1 391.451 0.273 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713093 949593177 /nfs/dbraw/zinc/59/31/77/949593177.db2.gz VWTGTFJRWUMBME-BLLLJJGKSA-N 2 1 391.451 0.273 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191381 950193940 /nfs/dbraw/zinc/19/39/40/950193940.db2.gz FQLLENIFBPHMTR-YOEHRIQHSA-N 2 1 387.488 0.117 20 0 GCADMP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001574157627 950246442 /nfs/dbraw/zinc/24/64/42/950246442.db2.gz FJHKYAKUVAJDSM-QLFBSQMISA-N 2 1 386.504 0.967 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193287 950290467 /nfs/dbraw/zinc/29/04/67/950290467.db2.gz SCWIHEWAASTYMW-CXAGYDPISA-N 2 1 384.488 0.674 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196463 950368376 /nfs/dbraw/zinc/36/83/76/950368376.db2.gz FALNMWBMMSDRNL-HNNXBMFYSA-N 2 1 387.488 0.119 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576197267 950386318 /nfs/dbraw/zinc/38/63/18/950386318.db2.gz MLULHSPJZXVFOB-OLZOCXBDSA-N 2 1 375.502 0.961 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197395 950391865 /nfs/dbraw/zinc/39/18/65/950391865.db2.gz MVODMEDJMXZGPE-HUUCEWRRSA-N 2 1 384.488 0.676 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198016 950405692 /nfs/dbraw/zinc/40/56/92/950405692.db2.gz RBHCXAYRMXWYQE-LSDHHAIUSA-N 2 1 384.488 0.888 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCC(Nc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202593 950433948 /nfs/dbraw/zinc/43/39/48/950433948.db2.gz BPGHEDZCSPEGRO-WLYUNCDWSA-N 2 1 384.488 0.865 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204975 950487395 /nfs/dbraw/zinc/48/73/95/950487395.db2.gz DZFGNODELKYRGD-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205404 950516050 /nfs/dbraw/zinc/51/60/50/950516050.db2.gz INIBTVZLCRHFGM-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574771301 950911141 /nfs/dbraw/zinc/91/11/41/950911141.db2.gz AGGITOWUQUXXLP-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574771301 950911158 /nfs/dbraw/zinc/91/11/58/950911158.db2.gz AGGITOWUQUXXLP-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574771301 950911179 /nfs/dbraw/zinc/91/11/79/950911179.db2.gz AGGITOWUQUXXLP-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574771301 950911199 /nfs/dbraw/zinc/91/11/99/950911199.db2.gz AGGITOWUQUXXLP-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575077417 951668400 /nfs/dbraw/zinc/66/84/00/951668400.db2.gz CLURMTORVRUJHD-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575080710 951715032 /nfs/dbraw/zinc/71/50/32/951715032.db2.gz NDCZKKFJZIAWRB-OLZOCXBDSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081709 951726344 /nfs/dbraw/zinc/72/63/44/951726344.db2.gz RTKFHYBAXPIOQW-TZMCWYRMSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106544 951905938 /nfs/dbraw/zinc/90/59/38/951905938.db2.gz RVMRZOBAGPHYOF-OAHLLOKOSA-N 2 1 387.488 0.431 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114736 951959163 /nfs/dbraw/zinc/95/91/63/951959163.db2.gz RPKKSMYSUIBIDI-OAHLLOKOSA-N 2 1 387.488 0.431 20 0 GCADMP Cc1cc(N[C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252095 953323891 /nfs/dbraw/zinc/32/38/91/953323891.db2.gz HAXWZFOQBXJDGM-PBHICJAKSA-N 2 1 384.488 0.879 20 0 GCADMP Cc1cc(N(C)C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252462 953328968 /nfs/dbraw/zinc/32/89/68/953328968.db2.gz NIESBYABCZVVPR-AWEZNQCLSA-N 2 1 384.488 0.949 20 0 GCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252722 953331809 /nfs/dbraw/zinc/33/18/09/953331809.db2.gz UZUUWFPXDHZZIL-CZUORRHYSA-N 2 1 384.488 0.935 20 0 GCADMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252722 953331812 /nfs/dbraw/zinc/33/18/12/953331812.db2.gz UZUUWFPXDHZZIL-CZUORRHYSA-N 2 1 384.488 0.935 20 0 GCADMP C[N@@H+](CC(=O)N1CC[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571252874 953333590 /nfs/dbraw/zinc/33/35/90/953333590.db2.gz XPWQIOWLGSCWGS-LJQANCHMSA-N 2 1 384.488 0.818 20 0 GCADMP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736019 530322838 /nfs/dbraw/zinc/32/28/38/530322838.db2.gz CNCRIPNRKPLSJS-LBPRGKRZSA-N 2 1 398.305 0.912 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]CCn3cc(Br)cn3)cn2)CC1 ZINC000285552527 530395241 /nfs/dbraw/zinc/39/52/41/530395241.db2.gz RPHUQYFKMLSYBC-UHFFFAOYSA-N 2 1 380.294 0.977 20 0 GCADMP [NH3+][C@H]1C[C@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CCN2C1=O ZINC000594880152 530442681 /nfs/dbraw/zinc/44/26/81/530442681.db2.gz TZGIYMVNEBPNCW-CBAPKCEASA-N 2 1 385.287 0.498 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000617504250 530571955 /nfs/dbraw/zinc/57/19/55/530571955.db2.gz MMZXKJIXZPZJSU-KBPBESRZSA-N 2 1 390.575 0.803 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)NS(=O)(=O)c1cccs1 ZINC000617504250 530571957 /nfs/dbraw/zinc/57/19/57/530571957.db2.gz MMZXKJIXZPZJSU-KBPBESRZSA-N 2 1 390.575 0.803 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000617504079 530571969 /nfs/dbraw/zinc/57/19/69/530571969.db2.gz GWUJHJKOURRMFI-ZDUSSCGKSA-N 2 1 376.548 0.415 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000617504079 530571970 /nfs/dbraw/zinc/57/19/70/530571970.db2.gz GWUJHJKOURRMFI-ZDUSSCGKSA-N 2 1 376.548 0.415 20 0 GCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000642640530 530923471 /nfs/dbraw/zinc/92/34/71/530923471.db2.gz VTXMILFZDCLKHE-GFCCVEGCSA-N 2 1 397.317 0.993 20 0 GCADMP [NH3+]CCNC(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000419074132 530954571 /nfs/dbraw/zinc/95/45/71/530954571.db2.gz LOVBNRUUGDNOCR-UHFFFAOYSA-N 2 1 383.290 0.605 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)S(C)(=O)=O ZINC000422632955 531015432 /nfs/dbraw/zinc/01/54/32/531015432.db2.gz HKRIPHYLLUPHEF-OWCLPIDISA-N 2 1 376.567 0.468 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)S(C)(=O)=O ZINC000422632955 531015434 /nfs/dbraw/zinc/01/54/34/531015434.db2.gz HKRIPHYLLUPHEF-OWCLPIDISA-N 2 1 376.567 0.468 20 0 GCADMP [NH3+][C@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccccc1Br ZINC000662426316 531021054 /nfs/dbraw/zinc/02/10/54/531021054.db2.gz PLJNMBRTYRIPOF-NSHDSACASA-N 2 1 380.250 0.615 20 0 GCADMP CNS(=O)(=O)CCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000539150592 531039153 /nfs/dbraw/zinc/03/91/53/531039153.db2.gz ZYFJDKRTWDUSBX-HOTGVXAUSA-N 2 1 377.551 0.516 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146615 599075129 /nfs/dbraw/zinc/07/51/29/599075129.db2.gz IWFPGPZTNKGPNN-DYVFJYSZSA-N 2 1 387.488 0.418 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146615 599075132 /nfs/dbraw/zinc/07/51/32/599075132.db2.gz IWFPGPZTNKGPNN-DYVFJYSZSA-N 2 1 387.488 0.418 20 0 GCADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)CC1 ZINC000820145976 606165763 /nfs/dbraw/zinc/16/57/63/606165763.db2.gz HOOJDFVYRFHVEI-AWEZNQCLSA-N 2 1 389.508 0.584 20 0 GCADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824301190 609498710 /nfs/dbraw/zinc/49/87/10/609498710.db2.gz SHAOJDHEUZMVPS-AWEZNQCLSA-N 2 1 388.432 0.413 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824301190 609498713 /nfs/dbraw/zinc/49/87/13/609498713.db2.gz SHAOJDHEUZMVPS-AWEZNQCLSA-N 2 1 388.432 0.413 20 0 GCADMP Cn1ncc(I)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000894383334 638698181 /nfs/dbraw/zinc/69/81/81/638698181.db2.gz GIWXXWXMIKAWDV-UHFFFAOYSA-N 2 1 377.274 0.752 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000662960286 1192171259 /nfs/dbraw/zinc/17/12/59/1192171259.db2.gz PPHJGOOJZPIGCL-RTBURBONSA-N 2 1 388.512 0.338 20 0 GCADMP C[C@@H](C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH+](C)CC1 ZINC000663020401 1192186993 /nfs/dbraw/zinc/18/69/93/1192186993.db2.gz WZGRHGRMLJIQJG-DLBZAZTESA-N 2 1 389.548 0.161 20 0 GCADMP NS(=O)(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345960 1192197479 /nfs/dbraw/zinc/19/74/79/1192197479.db2.gz PZPOTCAKMHQINV-CKEIUWERSA-N 2 1 396.513 0.491 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351021 1192202200 /nfs/dbraw/zinc/20/22/00/1192202200.db2.gz GBTDWIFOXKXAFJ-LPHOPBHVSA-N 2 1 394.541 0.444 20 0 GCADMP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652347625 1192200232 /nfs/dbraw/zinc/20/02/32/1192200232.db2.gz HKEUNMVAPDLQDY-CGBFIWBNSA-N 2 1 388.512 0.808 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC000423446550 1192218786 /nfs/dbraw/zinc/21/87/86/1192218786.db2.gz OIZABJPCFXNTDU-OAQYLSRUSA-N 2 1 394.560 0.938 20 0 GCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000652628206 1192259072 /nfs/dbraw/zinc/25/90/72/1192259072.db2.gz SEPPCBMLKZNQNI-BFYDXBDKSA-N 2 1 398.467 0.951 20 0 GCADMP CC(C)Cn1c(N)c(C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(=O)n(C)c1=O ZINC000662318283 1192283071 /nfs/dbraw/zinc/28/30/71/1192283071.db2.gz XSWDJXJMJMYJNE-HUUCEWRRSA-N 2 1 393.532 0.807 20 0 GCADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662339022 1192285023 /nfs/dbraw/zinc/28/50/23/1192285023.db2.gz ZMIWFLGDYHKSPE-AWEZNQCLSA-N 2 1 389.504 0.329 20 0 GCADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338995 1192285350 /nfs/dbraw/zinc/28/53/50/1192285350.db2.gz YTXKCJWVCYPYLF-QGZVFWFLSA-N 2 1 389.548 0.163 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338995 1192285353 /nfs/dbraw/zinc/28/53/53/1192285353.db2.gz YTXKCJWVCYPYLF-QGZVFWFLSA-N 3 1 389.548 0.163 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338995 1192285355 /nfs/dbraw/zinc/28/53/55/1192285355.db2.gz YTXKCJWVCYPYLF-QGZVFWFLSA-N 3 1 389.548 0.163 20 0 GCADMP CC[N@@H+](C)CCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H](C)C[NH+]1CCOCC1)C2 ZINC001719828417 1192287960 /nfs/dbraw/zinc/28/79/60/1192287960.db2.gz UJVVJBUTBXPZIJ-MHORFTMASA-N 2 1 380.533 0.545 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000636732576 1192291643 /nfs/dbraw/zinc/29/16/43/1192291643.db2.gz JBYZSCKYLJGGLN-LJQANCHMSA-N 2 1 376.501 0.509 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)CC2)oc1C ZINC000636773028 1192302812 /nfs/dbraw/zinc/30/28/12/1192302812.db2.gz PPMBZWIKUBWAPA-KRWDZBQOSA-N 2 1 379.505 0.869 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)oc1C ZINC000636773028 1192302815 /nfs/dbraw/zinc/30/28/15/1192302815.db2.gz PPMBZWIKUBWAPA-KRWDZBQOSA-N 2 1 379.505 0.869 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662535095 1192312406 /nfs/dbraw/zinc/31/24/06/1192312406.db2.gz CYPUYNDYJAZOEZ-UHFFFAOYSA-N 3 1 377.537 0.505 20 0 GCADMP [NH3+]C1(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000662577022 1192314388 /nfs/dbraw/zinc/31/43/88/1192314388.db2.gz QDVPOJKADFVXNU-UHFFFAOYSA-N 2 1 397.527 0.926 20 0 GCADMP C[C@@H](NC(=O)NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000636834467 1192324912 /nfs/dbraw/zinc/32/49/12/1192324912.db2.gz QRZVLCAFVLNKBP-QRQLOZEOSA-N 2 1 376.501 0.642 20 0 GCADMP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085159 1192381490 /nfs/dbraw/zinc/38/14/90/1192381490.db2.gz ALXJJPGSJURECX-ZWKOTPCHSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085159 1192381494 /nfs/dbraw/zinc/38/14/94/1192381494.db2.gz ALXJJPGSJURECX-ZWKOTPCHSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000637085159 1192381497 /nfs/dbraw/zinc/38/14/97/1192381497.db2.gz ALXJJPGSJURECX-ZWKOTPCHSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000637085159 1192381501 /nfs/dbraw/zinc/38/15/01/1192381501.db2.gz ALXJJPGSJURECX-ZWKOTPCHSA-N 2 1 378.542 0.970 20 0 GCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000606093031 1192441829 /nfs/dbraw/zinc/44/18/29/1192441829.db2.gz LCYAUDULXWEQPG-UHFFFAOYSA-N 2 1 375.473 0.726 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C[C@@H]1O ZINC000663646680 1192447335 /nfs/dbraw/zinc/44/73/35/1192447335.db2.gz OLFCBJROWJSVDZ-PMACEKPBSA-N 2 1 389.544 0.511 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652678155 1192487221 /nfs/dbraw/zinc/48/72/21/1192487221.db2.gz VURMKTDJIPQZNS-YDZRNGNQSA-N 2 1 394.560 0.968 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CSc1nnnn1C1CC1 ZINC000512332371 1192611582 /nfs/dbraw/zinc/61/15/82/1192611582.db2.gz UZGNFIDWYCOYAX-HNNXBMFYSA-N 2 1 381.550 0.975 20 0 GCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000418618956 1192619373 /nfs/dbraw/zinc/61/93/73/1192619373.db2.gz PCTWMSGFFNSHBZ-QLFBSQMISA-N 2 1 395.470 0.573 20 0 GCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C[C@H](C)O1 ZINC000418618956 1192619375 /nfs/dbraw/zinc/61/93/75/1192619375.db2.gz PCTWMSGFFNSHBZ-QLFBSQMISA-N 2 1 395.470 0.573 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCOCC1 ZINC000500475129 1192625451 /nfs/dbraw/zinc/62/54/51/1192625451.db2.gz VHFGZBLRJAYGMW-KRWDZBQOSA-N 2 1 382.549 0.840 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418752485 1192639932 /nfs/dbraw/zinc/63/99/32/1192639932.db2.gz BVVBSQOKNXBVLH-OTWHNJEPSA-N 2 1 375.517 0.072 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000418764579 1192640557 /nfs/dbraw/zinc/64/05/57/1192640557.db2.gz KTOJSMOISALRCE-LJQANCHMSA-N 2 1 375.517 0.434 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000418826709 1192657431 /nfs/dbraw/zinc/65/74/31/1192657431.db2.gz GJOQDUHHPQDGNK-IAGOWNOFSA-N 2 1 380.533 0.642 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+])[NH+](C)C ZINC000418830794 1192658992 /nfs/dbraw/zinc/65/89/92/1192658992.db2.gz FWQPAAQTUPMTKB-PVAVHDDUSA-N 2 1 376.501 1.000 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+](C)C ZINC000418830793 1192659024 /nfs/dbraw/zinc/65/90/24/1192659024.db2.gz FWQPAAQTUPMTKB-OIISXLGYSA-N 2 1 376.501 1.000 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418835465 1192661371 /nfs/dbraw/zinc/66/13/71/1192661371.db2.gz PPEBMYTXPZQCOE-SJORKVTESA-N 2 1 380.533 0.724 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)CC2)cs1 ZINC000418849434 1192665915 /nfs/dbraw/zinc/66/59/15/1192665915.db2.gz AUCIYZFDICXKLA-HNNXBMFYSA-N 2 1 393.557 0.854 20 0 GCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)C1 ZINC000418854784 1192666171 /nfs/dbraw/zinc/66/61/71/1192666171.db2.gz UCNYGVSIGCHRJU-WBVHZDCISA-N 2 1 376.501 0.872 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])[NH+](C)C ZINC000418853964 1192666781 /nfs/dbraw/zinc/66/67/81/1192666781.db2.gz STHHPTLQXMXIFO-VYDXJSESSA-N 2 1 392.500 0.379 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418857130 1192668753 /nfs/dbraw/zinc/66/87/53/1192668753.db2.gz YIZMMGTZOLTKDZ-VYDXJSESSA-N 2 1 376.501 0.857 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])C1 ZINC000418854568 1192669411 /nfs/dbraw/zinc/66/94/11/1192669411.db2.gz BQCBYEBGRIUSMB-ZACQAIPSSA-N 2 1 382.549 0.968 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])C1 ZINC000418854566 1192669502 /nfs/dbraw/zinc/66/95/02/1192669502.db2.gz BQCBYEBGRIUSMB-IKGGRYGDSA-N 2 1 382.549 0.968 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])C1 ZINC000418854567 1192669785 /nfs/dbraw/zinc/66/97/85/1192669785.db2.gz BQCBYEBGRIUSMB-IXDOHACOSA-N 2 1 382.549 0.968 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862297 1192671081 /nfs/dbraw/zinc/67/10/81/1192671081.db2.gz AMOXVJXUVSYBRM-IVSAIRAKSA-N 2 1 380.533 0.985 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418874815 1192674059 /nfs/dbraw/zinc/67/40/59/1192674059.db2.gz CJFGWAGXSHHECQ-ROUUACIJSA-N 2 1 376.501 0.359 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)CCCO1 ZINC000418879977 1192675433 /nfs/dbraw/zinc/67/54/33/1192675433.db2.gz OIFOVVQPXNKUPO-QGZVFWFLSA-N 2 1 380.533 0.596 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C1 ZINC000418917050 1192688438 /nfs/dbraw/zinc/68/84/38/1192688438.db2.gz HUUOZWUIERCLNR-GOSISDBHSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000418944038 1192696618 /nfs/dbraw/zinc/69/66/18/1192696618.db2.gz JKWUPQQBJRNPOI-KRWDZBQOSA-N 2 1 390.528 0.980 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000418945639 1192698374 /nfs/dbraw/zinc/69/83/74/1192698374.db2.gz QCSOVZPOOOJMPC-UHFFFAOYSA-N 2 1 376.501 0.591 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957002 1192701527 /nfs/dbraw/zinc/70/15/27/1192701527.db2.gz DAETTYUIUVAJTK-CVEARBPZSA-N 2 1 390.484 0.215 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957002 1192701534 /nfs/dbraw/zinc/70/15/34/1192701534.db2.gz DAETTYUIUVAJTK-CVEARBPZSA-N 2 1 390.484 0.215 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957005 1192701607 /nfs/dbraw/zinc/70/16/07/1192701607.db2.gz DAETTYUIUVAJTK-JKSUJKDBSA-N 2 1 390.484 0.215 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957005 1192701609 /nfs/dbraw/zinc/70/16/09/1192701609.db2.gz DAETTYUIUVAJTK-JKSUJKDBSA-N 2 1 390.484 0.215 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000418960959 1192702522 /nfs/dbraw/zinc/70/25/22/1192702522.db2.gz JJFDJIMADNZEOC-KBAYOESNSA-N 2 1 376.501 0.588 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965361 1192703689 /nfs/dbraw/zinc/70/36/89/1192703689.db2.gz OTALIAVAKOCOMO-QAPCUYQASA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965361 1192703693 /nfs/dbraw/zinc/70/36/93/1192703693.db2.gz OTALIAVAKOCOMO-QAPCUYQASA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000418973072 1192707044 /nfs/dbraw/zinc/70/70/44/1192707044.db2.gz ZSFGPNSTUSNKKJ-CQSZACIVSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000418973072 1192707048 /nfs/dbraw/zinc/70/70/48/1192707048.db2.gz ZSFGPNSTUSNKKJ-CQSZACIVSA-N 2 1 378.473 0.248 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1F ZINC000419022862 1192725115 /nfs/dbraw/zinc/72/51/15/1192725115.db2.gz IVZNWTMPYBKMJP-HNNXBMFYSA-N 2 1 389.431 0.512 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419030161 1192729215 /nfs/dbraw/zinc/72/92/15/1192729215.db2.gz SPMHZLATADCCRH-BRWVUGGUSA-N 2 1 395.548 0.069 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419032558 1192733045 /nfs/dbraw/zinc/73/30/45/1192733045.db2.gz WAWMOEVTWLCLSA-RHSMWYFYSA-N 2 1 376.501 0.984 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034628 1192733699 /nfs/dbraw/zinc/73/36/99/1192733699.db2.gz FXBJCNJGNBVPNU-RTBURBONSA-N 2 1 383.496 0.318 20 0 GCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000237213322 1192733833 /nfs/dbraw/zinc/73/38/33/1192733833.db2.gz PXPDVTQIHXFJTB-IBGZPJMESA-N 2 1 387.528 0.361 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC2)nc(C)[nH+]1 ZINC000419034666 1192733966 /nfs/dbraw/zinc/73/39/66/1192733966.db2.gz DSTHJOBMKBWHPI-INIZCTEOSA-N 2 1 376.505 0.668 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)CC2)nc(C)[nH+]1 ZINC000419034692 1192734081 /nfs/dbraw/zinc/73/40/81/1192734081.db2.gz DSTHJOBMKBWHPI-MRXNPFEDSA-N 2 1 376.505 0.668 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000419040503 1192737188 /nfs/dbraw/zinc/73/71/88/1192737188.db2.gz MPSRPPOMQHIBBO-ZJPYXAASSA-N 2 1 380.533 0.593 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)nc(C)[nH+]1 ZINC000419040108 1192737375 /nfs/dbraw/zinc/73/73/75/1192737375.db2.gz LXRRNSAQCGLHBG-QGZVFWFLSA-N 2 1 388.516 0.812 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419041564 1192739981 /nfs/dbraw/zinc/73/99/81/1192739981.db2.gz NPGXSWYAYFIQAW-WBVHZDCISA-N 2 1 388.516 0.812 20 0 GCADMP CCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000419043536 1192741639 /nfs/dbraw/zinc/74/16/39/1192741639.db2.gz RMRDZLKHUISKRG-FGTMMUONSA-N 2 1 382.549 0.840 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)nc(C)[nH+]1 ZINC000419045564 1192742204 /nfs/dbraw/zinc/74/22/04/1192742204.db2.gz WNLVQYDJHHVSBK-SFHVURJKSA-N 2 1 396.495 0.995 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)C2)C1 ZINC000652688047 1192756261 /nfs/dbraw/zinc/75/62/61/1192756261.db2.gz UJGIQWXWPIXYPT-MLHJIOFPSA-N 2 1 378.517 0.332 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000419061052 1192756790 /nfs/dbraw/zinc/75/67/90/1192756790.db2.gz FRKYGOYAINTMCN-IRXDYDNUSA-N 2 1 390.528 0.978 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419066012 1192760245 /nfs/dbraw/zinc/76/02/45/1192760245.db2.gz DVMMOHMFRDSBJE-VQIMIIECSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419066012 1192760251 /nfs/dbraw/zinc/76/02/51/1192760251.db2.gz DVMMOHMFRDSBJE-VQIMIIECSA-N 2 1 388.512 0.782 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419064881 1192761313 /nfs/dbraw/zinc/76/13/13/1192761313.db2.gz CRJONZMACOHNRY-OAHLLOKOSA-N 2 1 393.919 0.446 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CCO1 ZINC000419068614 1192765516 /nfs/dbraw/zinc/76/55/16/1192765516.db2.gz HXMBMXRQVAOYAC-LZQZEXGQSA-N 2 1 386.496 0.201 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CCO1 ZINC000419068614 1192765520 /nfs/dbraw/zinc/76/55/20/1192765520.db2.gz HXMBMXRQVAOYAC-LZQZEXGQSA-N 2 1 386.496 0.201 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)NCC1C[NH2+]C1 ZINC000419074938 1192772811 /nfs/dbraw/zinc/77/28/11/1192772811.db2.gz NSHUUBMYHAHIFB-UHFFFAOYSA-N 2 1 393.919 0.304 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419079281 1192775805 /nfs/dbraw/zinc/77/58/05/1192775805.db2.gz UMKIYGMJNSZNBV-VQIMIIECSA-N 2 1 388.512 0.734 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419079281 1192775810 /nfs/dbraw/zinc/77/58/10/1192775810.db2.gz UMKIYGMJNSZNBV-VQIMIIECSA-N 2 1 388.512 0.734 20 0 GCADMP COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1=O ZINC000644895029 1192775945 /nfs/dbraw/zinc/77/59/45/1192775945.db2.gz UQFCFJMUMBJAAD-HNNXBMFYSA-N 2 1 393.488 0.179 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2cc(C[NH+]3CCCC3)on2)CC1=O ZINC000644895029 1192775947 /nfs/dbraw/zinc/77/59/47/1192775947.db2.gz UQFCFJMUMBJAAD-HNNXBMFYSA-N 2 1 393.488 0.179 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419077773 1192776088 /nfs/dbraw/zinc/77/60/88/1192776088.db2.gz JRUABXYVGFMGES-IAGOWNOFSA-N 2 1 391.520 0.281 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000419086640 1192784477 /nfs/dbraw/zinc/78/44/77/1192784477.db2.gz OGYWWEZEAJAICK-HOTGVXAUSA-N 2 1 394.560 0.981 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419120284 1192793491 /nfs/dbraw/zinc/79/34/91/1192793491.db2.gz PZLPLUGAHFNAPK-PXNSSMCTSA-N 2 1 380.533 0.452 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419120245 1192793561 /nfs/dbraw/zinc/79/35/61/1192793561.db2.gz PWSYZQMECCVTOD-QAPCUYQASA-N 2 1 382.549 0.825 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419120282 1192793589 /nfs/dbraw/zinc/79/35/89/1192793589.db2.gz PZLPLUGAHFNAPK-FXAWDEMLSA-N 2 1 380.533 0.452 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419121015 1192794341 /nfs/dbraw/zinc/79/43/41/1192794341.db2.gz RDEKRKCAFJPOBH-NJAFHUGGSA-N 2 1 382.549 0.825 20 0 GCADMP CCCN(C(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1)[C@H]1CC[NH2+]C1 ZINC000419123059 1192795538 /nfs/dbraw/zinc/79/55/38/1192795538.db2.gz UYDLUCGPFRHLKM-ROUUACIJSA-N 2 1 382.549 0.840 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419123788 1192796361 /nfs/dbraw/zinc/79/63/61/1192796361.db2.gz WJKCEPAEESIHFT-KURKYZTESA-N 2 1 398.548 0.204 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCOCC1 ZINC000419125020 1192796714 /nfs/dbraw/zinc/79/67/14/1192796714.db2.gz YNSTXIXUTPWRGQ-FGTMMUONSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)[NH+]1CCN(C)CC1 ZINC000419127602 1192797864 /nfs/dbraw/zinc/79/78/64/1192797864.db2.gz RNUUGEMEHARLFA-IBGZPJMESA-N 2 1 389.544 0.362 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCN(C)CC1 ZINC000419127671 1192798110 /nfs/dbraw/zinc/79/81/10/1192798110.db2.gz RWDDQICCXOGQLZ-ROUUACIJSA-N 2 1 381.565 0.398 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419111155 1192798297 /nfs/dbraw/zinc/79/82/97/1192798297.db2.gz CWOGDIXQXXAOMP-WMZOPIPTSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419118069 1192802639 /nfs/dbraw/zinc/80/26/39/1192802639.db2.gz NOLDMKWXYWWJJB-SQNIBIBYSA-N 2 1 380.533 0.308 20 0 GCADMP Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)[nH+]1 ZINC000419136738 1192809908 /nfs/dbraw/zinc/80/99/08/1192809908.db2.gz PNWKVRGXCMLSNM-HOCLYGCPSA-N 2 1 389.500 0.704 20 0 GCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000419153347 1192811114 /nfs/dbraw/zinc/81/11/14/1192811114.db2.gz PMYNNVQUOXDBCB-KRWDZBQOSA-N 2 1 389.544 0.553 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419160461 1192818708 /nfs/dbraw/zinc/81/87/08/1192818708.db2.gz HLBZJCHCDAMVAP-IBGZPJMESA-N 2 1 389.544 0.281 20 0 GCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419161599 1192818906 /nfs/dbraw/zinc/81/89/06/1192818906.db2.gz DMDUNJIBYBDMDA-QYZOEREBSA-N 2 1 386.496 0.214 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000419161086 1192819983 /nfs/dbraw/zinc/81/99/83/1192819983.db2.gz CTTXSNMSGOPWMR-HNNXBMFYSA-N 2 1 384.427 0.104 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161086 1192819991 /nfs/dbraw/zinc/81/99/91/1192819991.db2.gz CTTXSNMSGOPWMR-HNNXBMFYSA-N 2 1 384.427 0.104 20 0 GCADMP [NH3+]C1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419163400 1192820763 /nfs/dbraw/zinc/82/07/63/1192820763.db2.gz JTZQFSMFZLEVDQ-CTWPCTMYSA-N 2 1 388.512 0.780 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161668 1192820972 /nfs/dbraw/zinc/82/09/72/1192820972.db2.gz FAUFSADPXUNKHF-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163018 1192821628 /nfs/dbraw/zinc/82/16/28/1192821628.db2.gz IOWRXASHSHQLJO-CEXWTWQISA-N 2 1 388.512 0.637 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167288 1192823269 /nfs/dbraw/zinc/82/32/69/1192823269.db2.gz QKJRVEMHRKLNBB-RBUKOAKNSA-N 2 1 388.512 0.462 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419171369 1192826086 /nfs/dbraw/zinc/82/60/86/1192826086.db2.gz XNOKPSMUXNEQQD-SFHVURJKSA-N 2 1 390.528 0.837 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419174237 1192827146 /nfs/dbraw/zinc/82/71/46/1192827146.db2.gz VBBVHICDVCQYTC-UGKGYDQZSA-N 2 1 384.524 0.879 20 0 GCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000419176131 1192827859 /nfs/dbraw/zinc/82/78/59/1192827859.db2.gz YSMMPVHIGFRMCM-IRXDYDNUSA-N 2 1 395.548 0.069 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419167667 1192829345 /nfs/dbraw/zinc/82/93/45/1192829345.db2.gz QRYQWCLMVZCBEX-WMZOPIPTSA-N 2 1 376.501 0.365 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419167660 1192829556 /nfs/dbraw/zinc/82/95/56/1192829556.db2.gz QRYQWCLMVZCBEX-AEFFLSMTSA-N 2 1 376.501 0.365 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419196004 1192832467 /nfs/dbraw/zinc/83/24/67/1192832467.db2.gz AEFWIUKVPMTHDX-LPHOPBHVSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000419197568 1192833740 /nfs/dbraw/zinc/83/37/40/1192833740.db2.gz KKZIEMZUYKGJCB-KRWDZBQOSA-N 2 1 375.517 0.035 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419180848 1192834490 /nfs/dbraw/zinc/83/44/90/1192834490.db2.gz AVIWYDLGWLCTED-UHFFFAOYSA-N 2 1 375.517 0.116 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000419196843 1192837314 /nfs/dbraw/zinc/83/73/14/1192837314.db2.gz BDFBUQBEWHYHJW-IHRRRGAJSA-N 2 1 378.439 0.963 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000419196843 1192837319 /nfs/dbraw/zinc/83/73/19/1192837319.db2.gz BDFBUQBEWHYHJW-IHRRRGAJSA-N 2 1 378.439 0.963 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419197737 1192838169 /nfs/dbraw/zinc/83/81/69/1192838169.db2.gz CAMZGXQPCWDPPB-JTDSTZFVSA-N 2 1 388.512 0.862 20 0 GCADMP CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245862606 1192845361 /nfs/dbraw/zinc/84/53/61/1192845361.db2.gz RPGOCIBEXHKVLZ-WSTZPKSXSA-N 2 1 394.560 0.887 20 0 GCADMP CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245862606 1192845367 /nfs/dbraw/zinc/84/53/67/1192845367.db2.gz RPGOCIBEXHKVLZ-WSTZPKSXSA-N 2 1 394.560 0.887 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419204723 1192858054 /nfs/dbraw/zinc/85/80/54/1192858054.db2.gz JCHULCBXGXBWBO-CALCHBBNSA-N 2 1 390.528 0.980 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)ccn1 ZINC000893914308 1192876078 /nfs/dbraw/zinc/87/60/78/1192876078.db2.gz NJAMWYUPKLVMKR-QZTJIDSGSA-N 2 1 391.516 0.763 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419209909 1192895313 /nfs/dbraw/zinc/89/53/13/1192895313.db2.gz XDFIIDAWNIZZBJ-QXAKKESOSA-N 2 1 390.528 0.978 20 0 GCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000410773118 1192902097 /nfs/dbraw/zinc/90/20/97/1192902097.db2.gz HMVFXBCGLXFRGN-SFHVURJKSA-N 2 1 382.549 0.748 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000419213985 1192907115 /nfs/dbraw/zinc/90/71/15/1192907115.db2.gz LWZKAOUSCAEMGM-JTDSTZFVSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC1 ZINC000410848619 1192910124 /nfs/dbraw/zinc/91/01/24/1192910124.db2.gz ZMGYXPVUVYLNLK-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000410852399 1192910290 /nfs/dbraw/zinc/91/02/90/1192910290.db2.gz LEPROIMMXHSXKE-WNRNVDISSA-N 2 1 379.549 0.022 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C[C@H](C)[N@H+]1C ZINC000410852399 1192910293 /nfs/dbraw/zinc/91/02/93/1192910293.db2.gz LEPROIMMXHSXKE-WNRNVDISSA-N 2 1 379.549 0.022 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000419214985 1192915101 /nfs/dbraw/zinc/91/51/01/1192915101.db2.gz NNGIXTQZNCBNHI-JTDSTZFVSA-N 2 1 388.512 0.719 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CC[C@@H]21 ZINC000410952945 1192919656 /nfs/dbraw/zinc/91/96/56/1192919656.db2.gz JUZUDCZHURWZNI-FHWLQOOXSA-N 2 1 392.544 0.500 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000274515106 1184083641 /nfs/dbraw/zinc/08/36/41/1184083641.db2.gz MFPJTPAVTORHFL-KRWDZBQOSA-N 2 1 389.544 0.871 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2CN(C)C[C@@H](C)O2)C3)CC[N@H+]1C ZINC000969126066 1184119117 /nfs/dbraw/zinc/11/91/17/1184119117.db2.gz LFSTVIZNHBVPRG-PDCGBLAGSA-N 2 1 378.517 0.248 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C3)CC[N@@H+]1C ZINC000969126066 1184119121 /nfs/dbraw/zinc/11/91/21/1184119121.db2.gz LFSTVIZNHBVPRG-PDCGBLAGSA-N 2 1 378.517 0.248 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C3)CC[N@H+]1C ZINC000969126066 1184119125 /nfs/dbraw/zinc/11/91/25/1184119125.db2.gz LFSTVIZNHBVPRG-PDCGBLAGSA-N 2 1 378.517 0.248 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C3)CC[NH+]1C ZINC000969126066 1184119128 /nfs/dbraw/zinc/11/91/28/1184119128.db2.gz LFSTVIZNHBVPRG-PDCGBLAGSA-N 2 1 378.517 0.248 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C3)CC[NH+]1C ZINC000969126066 1184119134 /nfs/dbraw/zinc/11/91/34/1184119134.db2.gz LFSTVIZNHBVPRG-PDCGBLAGSA-N 2 1 378.517 0.248 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](S(N)(=O)=O)C3)CC2)CC1 ZINC000654815126 1184152201 /nfs/dbraw/zinc/15/22/01/1184152201.db2.gz LLBKBCQQUCULAD-KRWDZBQOSA-N 2 1 386.562 0.462 20 0 GCADMP CN(C)c1[nH+]cnc2c1cc(C(=O)NCC(=O)NCC[NH+]1CCCCC1)n2C ZINC000909320718 1184166510 /nfs/dbraw/zinc/16/65/10/1184166510.db2.gz IXHISWOLXKWKCK-UHFFFAOYSA-N 2 1 387.488 0.366 20 0 GCADMP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000579815574 1184253725 /nfs/dbraw/zinc/25/37/25/1184253725.db2.gz MCZPULDJMUJPIN-QGZVFWFLSA-N 2 1 381.908 0.750 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1C[C@@H](C)O ZINC001772505613 1184320235 /nfs/dbraw/zinc/32/02/35/1184320235.db2.gz ALDMINALDMXOFZ-BRWVUGGUSA-N 2 1 380.533 0.281 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1C[C@@H](C)O ZINC001772505613 1184320239 /nfs/dbraw/zinc/32/02/39/1184320239.db2.gz ALDMINALDMXOFZ-BRWVUGGUSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CC(C)(C)O ZINC000547728475 1184423636 /nfs/dbraw/zinc/42/36/36/1184423636.db2.gz MVUUPZFOWPIASM-LAUBAEHRSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728475 1184423639 /nfs/dbraw/zinc/42/36/39/1184423639.db2.gz MVUUPZFOWPIASM-LAUBAEHRSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@H]1CN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728475 1184423646 /nfs/dbraw/zinc/42/36/46/1184423646.db2.gz MVUUPZFOWPIASM-LAUBAEHRSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1CC(C)(C)O ZINC000547728477 1184424435 /nfs/dbraw/zinc/42/44/35/1184424435.db2.gz MVUUPZFOWPIASM-UWJYYQICSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728477 1184424442 /nfs/dbraw/zinc/42/44/42/1184424442.db2.gz MVUUPZFOWPIASM-UWJYYQICSA-N 2 1 375.513 0.927 20 0 GCADMP C[C@H]1CN(C(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1CC(C)(C)O ZINC000547728477 1184424445 /nfs/dbraw/zinc/42/44/45/1184424445.db2.gz MVUUPZFOWPIASM-UWJYYQICSA-N 2 1 375.513 0.927 20 0 GCADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000274981669 1184444806 /nfs/dbraw/zinc/44/48/06/1184444806.db2.gz KGIQUIQXZPHAMO-FQEVSTJZSA-N 2 1 399.539 0.622 20 0 GCADMP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000274981673 1184444965 /nfs/dbraw/zinc/44/49/65/1184444965.db2.gz KGIQUIQXZPHAMO-HXUWFJFHSA-N 2 1 399.539 0.622 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)CC3)[C@@H](O)C2)CC[N@H+]1C ZINC000970075567 1184510395 /nfs/dbraw/zinc/51/03/95/1184510395.db2.gz OVBIAHWVPXETRO-MLHJIOFPSA-N 2 1 380.533 0.137 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077075 1184510658 /nfs/dbraw/zinc/51/06/58/1184510658.db2.gz QNMDRBYRHDQQBN-LZQZEXGQSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c2)CCO1 ZINC000419077075 1184510662 /nfs/dbraw/zinc/51/06/62/1184510662.db2.gz QNMDRBYRHDQQBN-LZQZEXGQSA-N 2 1 388.512 0.910 20 0 GCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171794 1184572581 /nfs/dbraw/zinc/57/25/81/1184572581.db2.gz YFYYHOPCOBYFFD-QYZOEREBSA-N 2 1 388.512 0.780 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557265 1184573125 /nfs/dbraw/zinc/57/31/25/1184573125.db2.gz UATBXRLEXYWPOU-UYAOXDASSA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557265 1184573130 /nfs/dbraw/zinc/57/31/30/1184573130.db2.gz UATBXRLEXYWPOU-UYAOXDASSA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557265 1184573137 /nfs/dbraw/zinc/57/31/37/1184573137.db2.gz UATBXRLEXYWPOU-UYAOXDASSA-N 2 1 379.549 0.520 20 0 GCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250342 1184575151 /nfs/dbraw/zinc/57/51/51/1184575151.db2.gz UUBDAUUDDAWSMH-IEBWSBKVSA-N 2 1 379.549 0.166 20 0 GCADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001707870228 1184636576 /nfs/dbraw/zinc/63/65/76/1184636576.db2.gz CHXAEHXNFHNFLS-YTQUADARSA-N 2 1 392.548 0.590 20 0 GCADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@@H]1CCC[N@H+]1CCCO ZINC001707870228 1184636578 /nfs/dbraw/zinc/63/65/78/1184636578.db2.gz CHXAEHXNFHNFLS-YTQUADARSA-N 2 1 392.548 0.590 20 0 GCADMP CN(C[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252082 1184667536 /nfs/dbraw/zinc/66/75/36/1184667536.db2.gz SGHLGTGHGTVQJL-RDJZCZTQSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@H](O)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252082 1184667540 /nfs/dbraw/zinc/66/75/40/1184667540.db2.gz SGHLGTGHGTVQJL-RDJZCZTQSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@H](O)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252082 1184667543 /nfs/dbraw/zinc/66/75/43/1184667543.db2.gz SGHLGTGHGTVQJL-RDJZCZTQSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252082 1184667547 /nfs/dbraw/zinc/66/75/47/1184667547.db2.gz SGHLGTGHGTVQJL-RDJZCZTQSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252082 1184667550 /nfs/dbraw/zinc/66/75/50/1184667550.db2.gz SGHLGTGHGTVQJL-RDJZCZTQSA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252082 1184667554 /nfs/dbraw/zinc/66/75/54/1184667554.db2.gz SGHLGTGHGTVQJL-RDJZCZTQSA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252082 1184667558 /nfs/dbraw/zinc/66/75/58/1184667558.db2.gz SGHLGTGHGTVQJL-RDJZCZTQSA-N 2 1 398.548 0.794 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000579928012 1184738444 /nfs/dbraw/zinc/73/84/44/1184738444.db2.gz QLKHWXLNNGJOFE-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000188444651 1184771182 /nfs/dbraw/zinc/77/11/82/1184771182.db2.gz GAZOSQLJIIBSBY-UHFFFAOYSA-N 2 1 375.395 0.782 20 0 GCADMP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000655704825 1184782358 /nfs/dbraw/zinc/78/23/58/1184782358.db2.gz MADDXEQTDSLZFO-SFHVURJKSA-N 2 1 388.516 0.358 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642729488 1184784879 /nfs/dbraw/zinc/78/48/79/1184784879.db2.gz PUDYMJCUSOWUSG-RTBURBONSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642729488 1184784886 /nfs/dbraw/zinc/78/48/86/1184784886.db2.gz PUDYMJCUSOWUSG-RTBURBONSA-N 2 1 388.512 0.650 20 0 GCADMP CCCN(C(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647019543 1184786124 /nfs/dbraw/zinc/78/61/24/1184786124.db2.gz MPKLIUSRVWRHMT-IBGZPJMESA-N 3 1 393.576 0.604 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393534 1184815074 /nfs/dbraw/zinc/81/50/74/1184815074.db2.gz LDRRVPFICFYYJT-NJAFHUGGSA-N 2 1 396.532 0.501 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393509 1184815722 /nfs/dbraw/zinc/81/57/22/1184815722.db2.gz LBHDKAZELOJQFS-DJIMGWMZSA-N 2 1 382.505 0.110 20 0 GCADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c2ccccc2)CC1 ZINC000579956550 1184823876 /nfs/dbraw/zinc/82/38/76/1184823876.db2.gz LYVWHBCGQFLYPH-VQTJNVASSA-N 2 1 397.527 0.889 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000579996607 1184896168 /nfs/dbraw/zinc/89/61/68/1184896168.db2.gz FBNFITLDXVRAOV-KCITZHQASA-N 2 1 394.560 0.717 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000642754570 1184907894 /nfs/dbraw/zinc/90/78/94/1184907894.db2.gz SYOBNMYCWODOPH-GGPKGHCWSA-N 2 1 399.539 0.524 20 0 GCADMP C[NH+](C)CC[C@@H](N)C(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000653116696 1184956152 /nfs/dbraw/zinc/95/61/52/1184956152.db2.gz PGJAMJNLNUHRIY-ZWKOTPCHSA-N 2 1 375.517 0.279 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656027587 1184962817 /nfs/dbraw/zinc/96/28/17/1184962817.db2.gz DNOAJUHTZFRYGQ-YDZRNGNQSA-N 2 1 392.544 0.864 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1Oc1cn[nH]c1 ZINC000926078719 1185007042 /nfs/dbraw/zinc/00/70/42/1185007042.db2.gz ZIMKCLQPUVFGPM-JQHSSLGASA-N 2 1 394.520 0.613 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000118897942 1185037983 /nfs/dbraw/zinc/03/79/83/1185037983.db2.gz FAVXFDGTCRLBGQ-SFHVURJKSA-N 2 1 387.528 0.831 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000580062609 1185039131 /nfs/dbraw/zinc/03/91/31/1185039131.db2.gz GWQKKADSTWDKAC-DOTOQJQBSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000580062609 1185039137 /nfs/dbraw/zinc/03/91/37/1185039137.db2.gz GWQKKADSTWDKAC-DOTOQJQBSA-N 2 1 394.560 0.527 20 0 GCADMP C[NH+](C)C1CCC(NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000580061665 1185040032 /nfs/dbraw/zinc/04/00/32/1185040032.db2.gz AQVAVSQETDYFPU-DAWZGUTISA-N 2 1 380.533 0.689 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)CCC(F)(F)F ZINC000580122513 1185072276 /nfs/dbraw/zinc/07/22/76/1185072276.db2.gz CJQPFBQZXVLADO-UONOGXRCSA-N 2 1 378.439 0.930 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)CCC(F)(F)F ZINC000580122513 1185072280 /nfs/dbraw/zinc/07/22/80/1185072280.db2.gz CJQPFBQZXVLADO-UONOGXRCSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)CCC(F)(F)F ZINC000580122513 1185072285 /nfs/dbraw/zinc/07/22/85/1185072285.db2.gz CJQPFBQZXVLADO-UONOGXRCSA-N 2 1 378.439 0.930 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)CCC(F)(F)F ZINC000580122513 1185072292 /nfs/dbraw/zinc/07/22/92/1185072292.db2.gz CJQPFBQZXVLADO-UONOGXRCSA-N 2 1 378.439 0.930 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000683814689 1185073324 /nfs/dbraw/zinc/07/33/24/1185073324.db2.gz ZXJMEJILFNVHAT-UHFFFAOYSA-N 2 1 377.493 0.482 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683816067 1185073598 /nfs/dbraw/zinc/07/35/98/1185073598.db2.gz IYDKJZNZRXYZFC-KRWDZBQOSA-N 2 1 381.565 0.907 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580172933 1185104698 /nfs/dbraw/zinc/10/46/98/1185104698.db2.gz MQMONIICODGBLH-RTBURBONSA-N 2 1 375.517 0.480 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000580173429 1185104902 /nfs/dbraw/zinc/10/49/02/1185104902.db2.gz LVIXBMOAAMEDAO-IRXDYDNUSA-N 2 1 378.517 0.206 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000580247884 1185129958 /nfs/dbraw/zinc/12/99/58/1185129958.db2.gz QVKWORZYBPMFOG-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000580247885 1185131182 /nfs/dbraw/zinc/13/11/82/1185131182.db2.gz QVKWORZYBPMFOG-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000580289857 1185140163 /nfs/dbraw/zinc/14/01/63/1185140163.db2.gz GEMOQBDAWOOZHM-OAHLLOKOSA-N 2 1 386.496 0.983 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000048395737 1185148883 /nfs/dbraw/zinc/14/88/83/1185148883.db2.gz YRZVAMLSSASJQW-UHFFFAOYSA-N 2 1 387.532 0.915 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308082 1185149012 /nfs/dbraw/zinc/14/90/12/1185149012.db2.gz SBPBCZLWUZQZDR-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308082 1185149015 /nfs/dbraw/zinc/14/90/15/1185149015.db2.gz SBPBCZLWUZQZDR-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308082 1185149018 /nfs/dbraw/zinc/14/90/18/1185149018.db2.gz SBPBCZLWUZQZDR-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000580431770 1185229857 /nfs/dbraw/zinc/22/98/57/1185229857.db2.gz BWUHZRSFODLLGI-ILOCAZANSA-N 2 1 378.517 0.155 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000580431770 1185229863 /nfs/dbraw/zinc/22/98/63/1185229863.db2.gz BWUHZRSFODLLGI-ILOCAZANSA-N 2 1 378.517 0.155 20 0 GCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000580445359 1185233404 /nfs/dbraw/zinc/23/34/04/1185233404.db2.gz UVRROIAHXHDCGY-HZPDHXFCSA-N 2 1 391.516 0.493 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000580578357 1185280153 /nfs/dbraw/zinc/28/01/53/1185280153.db2.gz WIMVYKCLCKKTIL-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000580634326 1185293172 /nfs/dbraw/zinc/29/31/72/1185293172.db2.gz LOLXZHUTPCHFOE-KURKYZTESA-N 2 1 392.544 0.545 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026498 1185306071 /nfs/dbraw/zinc/30/60/71/1185306071.db2.gz WHEWRVHWRXEZRI-LBPRGKRZSA-N 2 1 377.514 0.855 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)Nc3nc4c(s3)CCC4)C2)CC1 ZINC000684026498 1185306074 /nfs/dbraw/zinc/30/60/74/1185306074.db2.gz WHEWRVHWRXEZRI-LBPRGKRZSA-N 2 1 377.514 0.855 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730799 1185317162 /nfs/dbraw/zinc/31/71/62/1185317162.db2.gz MSCCYBVRDVNRFK-BBWFWOEESA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730799 1185317166 /nfs/dbraw/zinc/31/71/66/1185317166.db2.gz MSCCYBVRDVNRFK-BBWFWOEESA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000580730799 1185317171 /nfs/dbraw/zinc/31/71/71/1185317171.db2.gz MSCCYBVRDVNRFK-BBWFWOEESA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](C)O1 ZINC000580730800 1185317391 /nfs/dbraw/zinc/31/73/91/1185317391.db2.gz MSCCYBVRDVNRFK-BRWVUGGUSA-N 2 1 383.537 0.372 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000580752139 1185339945 /nfs/dbraw/zinc/33/99/45/1185339945.db2.gz SXTXHLCXKCJGJH-KRWDZBQOSA-N 2 1 397.564 0.681 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000580752139 1185339952 /nfs/dbraw/zinc/33/99/52/1185339952.db2.gz SXTXHLCXKCJGJH-KRWDZBQOSA-N 2 1 397.564 0.681 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000580752139 1185339960 /nfs/dbraw/zinc/33/99/60/1185339960.db2.gz SXTXHLCXKCJGJH-KRWDZBQOSA-N 2 1 397.564 0.681 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000580752139 1185339969 /nfs/dbraw/zinc/33/99/69/1185339969.db2.gz SXTXHLCXKCJGJH-KRWDZBQOSA-N 2 1 397.564 0.681 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@H]21 ZINC000580775409 1185354835 /nfs/dbraw/zinc/35/48/35/1185354835.db2.gz VHBJPQZWPFHKOA-BRSBDYLESA-N 2 1 378.517 0.286 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000413402780 1185358925 /nfs/dbraw/zinc/35/89/25/1185358925.db2.gz VWSGCZURXNAMFE-MOPGFXCFSA-N 2 1 398.548 0.353 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C[NH+]1CCN(C)CC1 ZINC000656299957 1185365465 /nfs/dbraw/zinc/36/54/65/1185365465.db2.gz FZGUJXYBQONPQO-KZNAEPCWSA-N 2 1 379.549 0.119 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCN(C)CC1 ZINC000656299958 1185365815 /nfs/dbraw/zinc/36/58/15/1185365815.db2.gz FZGUJXYBQONPQO-SQNIBIBYSA-N 2 1 379.549 0.119 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656300667 1185367664 /nfs/dbraw/zinc/36/76/64/1185367664.db2.gz SHHXXVFJSJPPKN-GUDVDZBRSA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656300667 1185367667 /nfs/dbraw/zinc/36/76/67/1185367667.db2.gz SHHXXVFJSJPPKN-GUDVDZBRSA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656300667 1185367670 /nfs/dbraw/zinc/36/76/70/1185367670.db2.gz SHHXXVFJSJPPKN-GUDVDZBRSA-N 2 1 393.576 0.509 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656308850 1185383594 /nfs/dbraw/zinc/38/35/94/1185383594.db2.gz JGXFECWSNLUSJB-QZTJIDSGSA-N 2 1 380.533 0.737 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656308851 1185383913 /nfs/dbraw/zinc/38/39/13/1185383913.db2.gz JGXFECWSNLUSJB-ROUUACIJSA-N 2 1 380.533 0.737 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(CCOC)c1 ZINC000275995222 1185391030 /nfs/dbraw/zinc/39/10/30/1185391030.db2.gz KBTUTIBSZNBLFT-QGZVFWFLSA-N 2 1 394.520 0.343 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000656316959 1185403309 /nfs/dbraw/zinc/40/33/09/1185403309.db2.gz AXFXQWSEDYIQCL-IAGOWNOFSA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000656316959 1185403312 /nfs/dbraw/zinc/40/33/12/1185403312.db2.gz AXFXQWSEDYIQCL-IAGOWNOFSA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000656316959 1185403318 /nfs/dbraw/zinc/40/33/18/1185403318.db2.gz AXFXQWSEDYIQCL-IAGOWNOFSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000656326134 1185418653 /nfs/dbraw/zinc/41/86/53/1185418653.db2.gz IQZXCUVCNHDUOV-KURKYZTESA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000656326134 1185418664 /nfs/dbraw/zinc/41/86/64/1185418664.db2.gz IQZXCUVCNHDUOV-KURKYZTESA-N 2 1 380.533 0.737 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000656353653 1185449831 /nfs/dbraw/zinc/44/98/31/1185449831.db2.gz BRVXSHFMYCBLGN-QZTJIDSGSA-N 2 1 380.533 0.425 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656357286 1185452780 /nfs/dbraw/zinc/45/27/80/1185452780.db2.gz YPJBSKQOSITGKY-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656357286 1185452784 /nfs/dbraw/zinc/45/27/84/1185452784.db2.gz YPJBSKQOSITGKY-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356457 1185456947 /nfs/dbraw/zinc/45/69/47/1185456947.db2.gz DMTIKFPNOMEVQD-NZSAHSFTSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356457 1185456951 /nfs/dbraw/zinc/45/69/51/1185456951.db2.gz DMTIKFPNOMEVQD-NZSAHSFTSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356457 1185456956 /nfs/dbraw/zinc/45/69/56/1185456956.db2.gz DMTIKFPNOMEVQD-NZSAHSFTSA-N 2 1 392.544 0.831 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356877 1185457236 /nfs/dbraw/zinc/45/72/36/1185457236.db2.gz HUZHPNAHEBGSSR-GBESFXJTSA-N 2 1 392.544 0.690 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656357591 1185460194 /nfs/dbraw/zinc/46/01/94/1185460194.db2.gz ZOLOSOBLRYEAPV-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656357591 1185460195 /nfs/dbraw/zinc/46/01/95/1185460195.db2.gz ZOLOSOBLRYEAPV-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656357591 1185460199 /nfs/dbraw/zinc/46/01/99/1185460199.db2.gz ZOLOSOBLRYEAPV-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656357592 1185460356 /nfs/dbraw/zinc/46/03/56/1185460356.db2.gz ZOLOSOBLRYEAPV-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656357592 1185460359 /nfs/dbraw/zinc/46/03/59/1185460359.db2.gz ZOLOSOBLRYEAPV-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656357592 1185460362 /nfs/dbraw/zinc/46/03/62/1185460362.db2.gz ZOLOSOBLRYEAPV-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360883 1185465279 /nfs/dbraw/zinc/46/52/79/1185465279.db2.gz WZCGCPBTOXYTIC-RTBURBONSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360881 1185466104 /nfs/dbraw/zinc/46/61/04/1185466104.db2.gz WZCGCPBTOXYTIC-OALUTQOASA-N 2 1 392.544 0.690 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000581025964 1185470886 /nfs/dbraw/zinc/47/08/86/1185470886.db2.gz NTOLIZSUJFDUGJ-LJQANCHMSA-N 2 1 387.528 0.302 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408376 1185504661 /nfs/dbraw/zinc/50/46/61/1185504661.db2.gz CPNYLXWEQWLSSA-QZTJIDSGSA-N 2 1 376.501 0.460 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408376 1185504667 /nfs/dbraw/zinc/50/46/67/1185504667.db2.gz CPNYLXWEQWLSSA-QZTJIDSGSA-N 2 1 376.501 0.460 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408372 1185504907 /nfs/dbraw/zinc/50/49/07/1185504907.db2.gz CPNYLXWEQWLSSA-MSOLQXFVSA-N 2 1 376.501 0.460 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408372 1185504914 /nfs/dbraw/zinc/50/49/14/1185504914.db2.gz CPNYLXWEQWLSSA-MSOLQXFVSA-N 2 1 376.501 0.460 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419449717 1185508756 /nfs/dbraw/zinc/50/87/56/1185508756.db2.gz KHZBPDPKYOSICQ-SQNIBIBYSA-N 2 1 387.528 0.699 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039338 1185515863 /nfs/dbraw/zinc/51/58/63/1185515863.db2.gz PCZNEOKDZSZDST-HNNXBMFYSA-N 2 1 377.489 0.903 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000581183033 1185526191 /nfs/dbraw/zinc/52/61/91/1185526191.db2.gz NWNPDQVSRGAGBS-QCSYZSNVSA-N 2 1 378.517 0.079 20 0 GCADMP CC(C)Nc1nc(N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)nc(NCCO)[nH+]1 ZINC000581208628 1185530380 /nfs/dbraw/zinc/53/03/80/1185530380.db2.gz UGDOWNAJUAQWIK-OAGGEKHMSA-N 2 1 377.537 0.782 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084295 1185557080 /nfs/dbraw/zinc/55/70/80/1185557080.db2.gz USXGDOYHZIFSDL-AWEZNQCLSA-N 2 1 378.477 0.298 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000581324614 1185595364 /nfs/dbraw/zinc/59/53/64/1185595364.db2.gz LAZILCHBMOUBMF-OALUTQOASA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000581324614 1185595373 /nfs/dbraw/zinc/59/53/73/1185595373.db2.gz LAZILCHBMOUBMF-OALUTQOASA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000581324614 1185595386 /nfs/dbraw/zinc/59/53/86/1185595386.db2.gz LAZILCHBMOUBMF-OALUTQOASA-N 2 1 393.576 0.463 20 0 GCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559579 1185596551 /nfs/dbraw/zinc/59/65/51/1185596551.db2.gz DNOIALIBOOEHEL-PBHICJAKSA-N 2 1 384.546 0.686 20 0 GCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559579 1185596562 /nfs/dbraw/zinc/59/65/62/1185596562.db2.gz DNOIALIBOOEHEL-PBHICJAKSA-N 2 1 384.546 0.686 20 0 GCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347271 1185621598 /nfs/dbraw/zinc/62/15/98/1185621598.db2.gz UOGRYWRVTLXQNP-BRSBDYLESA-N 2 1 382.549 0.647 20 0 GCADMP CC(C)N(C)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347271 1185621603 /nfs/dbraw/zinc/62/16/03/1185621603.db2.gz UOGRYWRVTLXQNP-BRSBDYLESA-N 2 1 382.549 0.647 20 0 GCADMP CCn1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001104347295 1185621625 /nfs/dbraw/zinc/62/16/25/1185621625.db2.gz VECHQUBIDBMKHR-YFHUEUNASA-N 2 1 378.521 0.591 20 0 GCADMP COc1cc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)on1 ZINC001104347350 1185621936 /nfs/dbraw/zinc/62/19/36/1185621936.db2.gz VXIQEPNAOCAIQQ-KCYZZUKISA-N 2 1 380.489 0.977 20 0 GCADMP CNS(=O)(=O)c1cc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)ccc1C ZINC000430573129 1185625701 /nfs/dbraw/zinc/62/57/01/1185625701.db2.gz PVNLQJOCQBKUAB-UHFFFAOYSA-N 2 1 398.529 0.671 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000581419026 1185665799 /nfs/dbraw/zinc/66/57/99/1185665799.db2.gz XOUYFHRUVMIQGU-BZSNNMDCSA-N 2 1 395.548 0.659 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595214 1185667273 /nfs/dbraw/zinc/66/72/73/1185667273.db2.gz HMZAFDBOAQGDOT-HOCLYGCPSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595212 1185667706 /nfs/dbraw/zinc/66/77/06/1185667706.db2.gz HMZAFDBOAQGDOT-GOEBONIOSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487032 1185670581 /nfs/dbraw/zinc/67/05/81/1185670581.db2.gz ARVNHWZNBMMSLC-KZNAEPCWSA-N 2 1 387.528 0.699 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430598349 1185676909 /nfs/dbraw/zinc/67/69/09/1185676909.db2.gz CTROUHJSVSBUIS-ZWKOTPCHSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430598347 1185677180 /nfs/dbraw/zinc/67/71/80/1185677180.db2.gz CTROUHJSVSBUIS-ROUUACIJSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000891391373 1185678121 /nfs/dbraw/zinc/67/81/21/1185678121.db2.gz DIRUWNCSBBOGLY-NVXWUHKLSA-N 2 1 389.500 0.979 20 0 GCADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430601645 1185685573 /nfs/dbraw/zinc/68/55/73/1185685573.db2.gz DXWTYDFXJSPTPU-HNNXBMFYSA-N 2 1 380.464 0.450 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000581429233 1185687399 /nfs/dbraw/zinc/68/73/99/1185687399.db2.gz CWKSZUYFBKHOID-ZWKOTPCHSA-N 2 1 389.544 0.553 20 0 GCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000581429231 1185687415 /nfs/dbraw/zinc/68/74/15/1185687415.db2.gz CWKSZUYFBKHOID-QZTJIDSGSA-N 2 1 389.544 0.553 20 0 GCADMP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C2CC2)cc1 ZINC000430607960 1185725789 /nfs/dbraw/zinc/72/57/89/1185725789.db2.gz BVTQFHPYKNPOQD-QGZVFWFLSA-N 2 1 388.512 0.973 20 0 GCADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607455 1185730508 /nfs/dbraw/zinc/73/05/08/1185730508.db2.gz CFXJUAFYDBKLIT-HOTGVXAUSA-N 2 1 393.532 0.677 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000581569266 1185765430 /nfs/dbraw/zinc/76/54/30/1185765430.db2.gz UYDNDSCNPKLIQM-UHFFFAOYSA-N 2 1 381.565 0.321 20 0 GCADMP COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1 ZINC000430613423 1185771817 /nfs/dbraw/zinc/77/18/17/1185771817.db2.gz VLGWKDYPLQQAAU-ZDUSSCGKSA-N 2 1 398.529 0.943 20 0 GCADMP COCc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430617971 1185785796 /nfs/dbraw/zinc/78/57/96/1185785796.db2.gz QIGSOVPGYKBCHY-IBGZPJMESA-N 2 1 388.512 0.593 20 0 GCADMP Cc1cccc(OCCNC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623186 1185804243 /nfs/dbraw/zinc/80/42/43/1185804243.db2.gz HEWJXBWFEPAMSX-DLBZAZTESA-N 2 1 376.501 0.665 20 0 GCADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623202 1185807004 /nfs/dbraw/zinc/80/70/04/1185807004.db2.gz HEWJXBWFEPAMSX-SJORKVTESA-N 2 1 376.501 0.665 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cc(F)cc(F)c1 ZINC000430626617 1185811446 /nfs/dbraw/zinc/81/14/46/1185811446.db2.gz RTBPEAIKRLMXFM-HNNXBMFYSA-N 2 1 380.439 0.725 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1ccc(F)cc1 ZINC000430629301 1185817244 /nfs/dbraw/zinc/81/72/44/1185817244.db2.gz WGFLOUZQFVDEQN-KRWDZBQOSA-N 2 1 376.476 0.628 20 0 GCADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633002 1185822029 /nfs/dbraw/zinc/82/20/29/1185822029.db2.gz ZTPLXYKSEWZCHR-OAGGEKHMSA-N 2 1 390.484 0.118 20 0 GCADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637662 1185837781 /nfs/dbraw/zinc/83/77/81/1185837781.db2.gz DHEMNTQWWMIKSG-QGZVFWFLSA-N 2 1 376.501 0.667 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000430641010 1185842892 /nfs/dbraw/zinc/84/28/92/1185842892.db2.gz RXHZCGCCTJROLD-GOSISDBHSA-N 2 1 394.560 0.986 20 0 GCADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648059 1185863495 /nfs/dbraw/zinc/86/34/95/1185863495.db2.gz GNELMTVTFMFEFY-SFHVURJKSA-N 2 1 390.528 0.919 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2sccc2C1 ZINC000430648175 1185865767 /nfs/dbraw/zinc/86/57/67/1185865767.db2.gz HERFAAAWPRVPQW-MRXNPFEDSA-N 2 1 376.526 0.777 20 0 GCADMP C[C@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650121 1185866232 /nfs/dbraw/zinc/86/62/32/1185866232.db2.gz JZZZECRIJCRUKA-WBVHZDCISA-N 2 1 376.476 0.974 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000656890037 1185870041 /nfs/dbraw/zinc/87/00/41/1185870041.db2.gz DPRVWJCFENFCLH-KURKYZTESA-N 2 1 391.578 0.716 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](OC)[C@@H]1CCOC1 ZINC000656890037 1185870049 /nfs/dbraw/zinc/87/00/49/1185870049.db2.gz DPRVWJCFENFCLH-KURKYZTESA-N 2 1 391.578 0.716 20 0 GCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891536896 1185910014 /nfs/dbraw/zinc/91/00/14/1185910014.db2.gz WYDZIGCTTSSNIV-BVUBDWEXSA-N 2 1 376.461 0.404 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891563295 1185921691 /nfs/dbraw/zinc/92/16/91/1185921691.db2.gz COPJBOHYYWNLFH-UYAOXDASSA-N 2 1 379.549 0.568 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891598199 1185936697 /nfs/dbraw/zinc/93/66/97/1185936697.db2.gz XTTMDZIOHPLCCX-XHSDSOJGSA-N 2 1 376.461 0.548 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419898363 1185976261 /nfs/dbraw/zinc/97/62/61/1185976261.db2.gz PLLRYSFYENKMLU-XWTMOSNGSA-N 2 1 379.549 0.390 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c2cccs2)CC1 ZINC000581934061 1185995724 /nfs/dbraw/zinc/99/57/24/1185995724.db2.gz FMRDXXOTZPUOGW-CABCVRRESA-N 2 1 379.530 0.006 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581937801 1185997934 /nfs/dbraw/zinc/99/79/34/1185997934.db2.gz RHHQSACJKWVKSC-XCDZQEORSA-N 2 1 391.560 0.199 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751533 1186008999 /nfs/dbraw/zinc/00/89/99/1186008999.db2.gz ADEMADRMJQHNMD-FHWLQOOXSA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751533 1186009004 /nfs/dbraw/zinc/00/90/04/1186009004.db2.gz ADEMADRMJQHNMD-FHWLQOOXSA-N 2 1 381.565 0.499 20 0 GCADMP COCC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@@H]1C ZINC000430710003 1186021034 /nfs/dbraw/zinc/02/10/34/1186021034.db2.gz PWPQLSPOAGPDLX-PXNSSMCTSA-N 2 1 385.512 0.980 20 0 GCADMP COCC[N@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@@H]1C ZINC000430710003 1186021038 /nfs/dbraw/zinc/02/10/38/1186021038.db2.gz PWPQLSPOAGPDLX-PXNSSMCTSA-N 2 1 385.512 0.980 20 0 GCADMP COCC[C@@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000430803978 1186032771 /nfs/dbraw/zinc/03/27/71/1186032771.db2.gz BHYCCXHXCHMYKY-XLIONFOSSA-N 2 1 375.517 0.725 20 0 GCADMP C[C@@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430931183 1186055344 /nfs/dbraw/zinc/05/53/44/1186055344.db2.gz AYIVOQOJMKEWTE-QAPCUYQASA-N 2 1 383.514 0.755 20 0 GCADMP C[C@@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000430931183 1186055352 /nfs/dbraw/zinc/05/53/52/1186055352.db2.gz AYIVOQOJMKEWTE-QAPCUYQASA-N 2 1 383.514 0.755 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000548404438 1186061190 /nfs/dbraw/zinc/06/11/90/1186061190.db2.gz MAFZYJAXNFVMSB-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000548404438 1186061196 /nfs/dbraw/zinc/06/11/96/1186061196.db2.gz MAFZYJAXNFVMSB-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960685 1186070314 /nfs/dbraw/zinc/07/03/14/1186070314.db2.gz KYUJYKMIYFZRFC-INIZCTEOSA-N 2 1 383.514 0.628 20 0 GCADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960685 1186070316 /nfs/dbraw/zinc/07/03/16/1186070316.db2.gz KYUJYKMIYFZRFC-INIZCTEOSA-N 2 1 383.514 0.628 20 0 GCADMP COc1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1S(=O)(=O)N(C)C ZINC000430966322 1186072626 /nfs/dbraw/zinc/07/26/26/1186072626.db2.gz NJADHPRCSPQHJB-ZDUSSCGKSA-N 2 1 398.529 0.943 20 0 GCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431017561 1186104346 /nfs/dbraw/zinc/10/43/46/1186104346.db2.gz RCCMXHMARZUWET-UHFFFAOYSA-N 2 1 382.486 0.357 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000933847415 1186108773 /nfs/dbraw/zinc/10/87/73/1186108773.db2.gz GRIBRIHZLLJUAC-MSOLQXFVSA-N 2 1 393.576 0.319 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000559358812 1186158387 /nfs/dbraw/zinc/15/83/87/1186158387.db2.gz KZLPJAPOISWERU-UHFFFAOYSA-N 2 1 382.549 0.986 20 0 GCADMP C[C@@H](CNC(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000891923576 1186161367 /nfs/dbraw/zinc/16/13/67/1186161367.db2.gz PAJQTZCSASXVOA-SFHVURJKSA-N 2 1 389.544 0.953 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C(F)(F)F ZINC000891952796 1186196290 /nfs/dbraw/zinc/19/62/90/1186196290.db2.gz KIQCENUWSWXPJZ-KGLIPLIRSA-N 2 1 394.438 0.646 20 0 GCADMP Cc1nnc(N2CC[N@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+]1CCOCC1 ZINC001707913150 1186269398 /nfs/dbraw/zinc/26/93/98/1186269398.db2.gz SNOLGUODGRXFMD-KRWDZBQOSA-N 2 1 392.548 0.998 20 0 GCADMP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)n1CCC[NH+]1CCOCC1 ZINC001707913150 1186269406 /nfs/dbraw/zinc/26/94/06/1186269406.db2.gz SNOLGUODGRXFMD-KRWDZBQOSA-N 2 1 392.548 0.998 20 0 GCADMP [NH3+][C@@H](CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030312 1186311977 /nfs/dbraw/zinc/31/19/77/1186311977.db2.gz GORXAFPNQNXLOV-OALUTQOASA-N 2 1 375.517 0.782 20 0 GCADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000277385559 1186357001 /nfs/dbraw/zinc/35/70/01/1186357001.db2.gz YNIQJQWAGIDSIL-QGZVFWFLSA-N 2 1 396.557 0.799 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@@H]1C(F)(F)F ZINC000892132662 1186364229 /nfs/dbraw/zinc/36/42/29/1186364229.db2.gz QXLULFXXRFERPA-PPWQZUPISA-N 2 1 377.455 0.981 20 0 GCADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431333710 1186368064 /nfs/dbraw/zinc/36/80/64/1186368064.db2.gz PMXKRFFHADOLNA-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000582060780 1186387373 /nfs/dbraw/zinc/38/73/73/1186387373.db2.gz DXCXBBICEVLBGF-GOSISDBHSA-N 2 1 387.484 0.157 20 0 GCADMP OCCN1CCC[C@H]2[C@H]1CC[NH+]2CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261316 1186389310 /nfs/dbraw/zinc/38/93/10/1186389310.db2.gz DZURJUHNFVDESR-ZDNVTZCJSA-N 2 1 394.604 0.829 20 0 GCADMP OCCN1CCC[C@H]2[C@H]1CC[N@H+]2CCCC[NH+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261316 1186389319 /nfs/dbraw/zinc/38/93/19/1186389319.db2.gz DZURJUHNFVDESR-ZDNVTZCJSA-N 2 1 394.604 0.829 20 0 GCADMP OCCN1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC[NH+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261316 1186389326 /nfs/dbraw/zinc/38/93/26/1186389326.db2.gz DZURJUHNFVDESR-ZDNVTZCJSA-N 2 1 394.604 0.829 20 0 GCADMP OCC[NH+]1CCC[C@H]2[C@H]1CCN2C/C=C\CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264653 1186391718 /nfs/dbraw/zinc/39/17/18/1186391718.db2.gz UPHMGKMWQXEGMP-NEOZMNTHSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C\CN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934264653 1186391722 /nfs/dbraw/zinc/39/17/22/1186391722.db2.gz UPHMGKMWQXEGMP-NEOZMNTHSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C\CN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934264653 1186391731 /nfs/dbraw/zinc/39/17/31/1186391731.db2.gz UPHMGKMWQXEGMP-NEOZMNTHSA-N 2 1 392.588 0.605 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000892168409 1186392774 /nfs/dbraw/zinc/39/27/74/1186392774.db2.gz JBGWRZHNOVXTLC-RBUKOAKNSA-N 2 1 376.501 0.874 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000892168409 1186392777 /nfs/dbraw/zinc/39/27/77/1186392777.db2.gz JBGWRZHNOVXTLC-RBUKOAKNSA-N 2 1 376.501 0.874 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000559506140 1186416340 /nfs/dbraw/zinc/41/63/40/1186416340.db2.gz DPRFKWDYUWKWQV-QBPKDAKJSA-N 2 1 382.549 0.979 20 0 GCADMP CC(C)C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC000511077057 1186418313 /nfs/dbraw/zinc/41/83/13/1186418313.db2.gz RIQMNXAAARZASW-ZWKOTPCHSA-N 2 1 382.549 0.792 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(S(N)(=O)=O)CC1 ZINC000582185347 1186459712 /nfs/dbraw/zinc/45/97/12/1186459712.db2.gz IHCWIALKMBTXSI-UHFFFAOYSA-N 2 1 386.562 0.462 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235128 1186481123 /nfs/dbraw/zinc/48/11/23/1186481123.db2.gz FBJGICJEBAKLSJ-NNXHMXCWSA-N 2 1 377.489 0.580 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCOCC1 ZINC000582306915 1186491808 /nfs/dbraw/zinc/49/18/08/1186491808.db2.gz LHFZNSNDKPTRGE-SFHVURJKSA-N 2 1 382.549 0.827 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000511097121 1186492549 /nfs/dbraw/zinc/49/25/49/1186492549.db2.gz VNLRNZZCHWUGES-FGTMMUONSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000511097121 1186492551 /nfs/dbraw/zinc/49/25/51/1186492551.db2.gz VNLRNZZCHWUGES-FGTMMUONSA-N 2 1 380.533 0.546 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315900 1186493063 /nfs/dbraw/zinc/49/30/63/1186493063.db2.gz NNHITOURUSDOLL-MOPGFXCFSA-N 2 1 391.560 0.404 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000582595611 1186579069 /nfs/dbraw/zinc/57/90/69/1186579069.db2.gz OKWMSHCDMPKENI-ROUUACIJSA-N 2 1 377.533 0.928 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152598687 1186666448 /nfs/dbraw/zinc/66/64/48/1186666448.db2.gz DIACXPGTBSYKHF-RDGPPVDQSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152598687 1186666450 /nfs/dbraw/zinc/66/64/50/1186666450.db2.gz DIACXPGTBSYKHF-RDGPPVDQSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152598687 1186666453 /nfs/dbraw/zinc/66/64/53/1186666453.db2.gz DIACXPGTBSYKHF-RDGPPVDQSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000152598687 1186666455 /nfs/dbraw/zinc/66/64/55/1186666455.db2.gz DIACXPGTBSYKHF-RDGPPVDQSA-N 2 1 394.560 0.885 20 0 GCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000582964791 1186737519 /nfs/dbraw/zinc/73/75/19/1186737519.db2.gz MTGDKJTUFHJXLG-OAHLLOKOSA-N 2 1 391.468 0.598 20 0 GCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000582964791 1186737520 /nfs/dbraw/zinc/73/75/20/1186737520.db2.gz MTGDKJTUFHJXLG-OAHLLOKOSA-N 2 1 391.468 0.598 20 0 GCADMP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000582965192 1186738557 /nfs/dbraw/zinc/73/85/57/1186738557.db2.gz ISBQTSNWUVVGCL-UHFFFAOYSA-N 2 1 399.539 0.600 20 0 GCADMP CCC(CC)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620381 1186739117 /nfs/dbraw/zinc/73/91/17/1186739117.db2.gz LIONOTYJLNZBJN-RBUKOAKNSA-N 2 1 394.560 0.888 20 0 GCADMP CCC(CC)[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620381 1186739119 /nfs/dbraw/zinc/73/91/19/1186739119.db2.gz LIONOTYJLNZBJN-RBUKOAKNSA-N 2 1 394.560 0.888 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000472274293 1186742056 /nfs/dbraw/zinc/74/20/56/1186742056.db2.gz DINAVSWYOXKOFZ-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C(=O)N2CCCCC2)C1 ZINC000472274293 1186742058 /nfs/dbraw/zinc/74/20/58/1186742058.db2.gz DINAVSWYOXKOFZ-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000472274301 1186742243 /nfs/dbraw/zinc/74/22/43/1186742243.db2.gz DINAVSWYOXKOFZ-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 ZINC000472274301 1186742248 /nfs/dbraw/zinc/74/22/48/1186742248.db2.gz DINAVSWYOXKOFZ-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000685080859 1186773354 /nfs/dbraw/zinc/77/33/54/1186773354.db2.gz RLWSEHCGPRTYKK-LJQANCHMSA-N 2 1 395.592 0.567 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000685080859 1186773358 /nfs/dbraw/zinc/77/33/58/1186773358.db2.gz RLWSEHCGPRTYKK-LJQANCHMSA-N 2 1 395.592 0.567 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000685080859 1186773359 /nfs/dbraw/zinc/77/33/59/1186773359.db2.gz RLWSEHCGPRTYKK-LJQANCHMSA-N 2 1 395.592 0.567 20 0 GCADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CCC[NH+]1C1CC1 ZINC000508293481 1186775234 /nfs/dbraw/zinc/77/52/34/1186775234.db2.gz SXXLIPSLCMFURF-CVAIRZPRSA-N 2 1 390.532 0.701 20 0 GCADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCC[N@@H+]1C1CC1 ZINC000508293481 1186775237 /nfs/dbraw/zinc/77/52/37/1186775237.db2.gz SXXLIPSLCMFURF-CVAIRZPRSA-N 2 1 390.532 0.701 20 0 GCADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)CCC[N@H+]1C1CC1 ZINC000508293481 1186775239 /nfs/dbraw/zinc/77/52/39/1186775239.db2.gz SXXLIPSLCMFURF-CVAIRZPRSA-N 2 1 390.532 0.701 20 0 GCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142703 1186780160 /nfs/dbraw/zinc/78/01/60/1186780160.db2.gz IYACVLRGIULPJC-FUHWJXTLSA-N 2 1 378.517 0.300 20 0 GCADMP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000583161347 1186785100 /nfs/dbraw/zinc/78/51/00/1186785100.db2.gz TVFLSJQVWCTBBS-ABHNRTSZSA-N 2 1 379.549 0.071 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000162609168 1186787020 /nfs/dbraw/zinc/78/70/20/1186787020.db2.gz XLEQBROTBCDQEX-PKOBYXMFSA-N 2 1 379.476 0.942 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(=O)n(C)c1 ZINC000124625987 1186799461 /nfs/dbraw/zinc/79/94/61/1186799461.db2.gz SFDRZONMHHXBDQ-INIZCTEOSA-N 2 1 377.489 0.198 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000156020558 1186838823 /nfs/dbraw/zinc/83/88/23/1186838823.db2.gz WJKSGXVUHYSBJY-RDJZCZTQSA-N 2 1 388.516 0.859 20 0 GCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223202 1186852935 /nfs/dbraw/zinc/85/29/35/1186852935.db2.gz ABWMRYJLUWBIKF-HZMVEIRTSA-N 2 1 381.542 0.629 20 0 GCADMP O=C(N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC[C@H]1CCS(=O)(=O)C1)C12CC[NH+](CC1)C2 ZINC001098223202 1186852944 /nfs/dbraw/zinc/85/29/44/1186852944.db2.gz ABWMRYJLUWBIKF-HZMVEIRTSA-N 2 1 381.542 0.629 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458541250 1186862185 /nfs/dbraw/zinc/86/21/85/1186862185.db2.gz AEPWPQBUWUJGFI-QRVBRYPASA-N 2 1 382.549 0.900 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000583511592 1186875742 /nfs/dbraw/zinc/87/57/42/1186875742.db2.gz OGTIQMWOWVQFHP-OALUTQOASA-N 2 1 388.512 0.257 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583554945 1186883769 /nfs/dbraw/zinc/88/37/69/1186883769.db2.gz APUFFVGFCCFBPW-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583554945 1186883772 /nfs/dbraw/zinc/88/37/72/1186883772.db2.gz APUFFVGFCCFBPW-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990830 1186895612 /nfs/dbraw/zinc/89/56/12/1186895612.db2.gz FXXIRGZUCMPJRO-QZTJIDSGSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)CC1=O ZINC000888990830 1186895616 /nfs/dbraw/zinc/89/56/16/1186895616.db2.gz FXXIRGZUCMPJRO-QZTJIDSGSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1=O ZINC000888990830 1186895619 /nfs/dbraw/zinc/89/56/19/1186895619.db2.gz FXXIRGZUCMPJRO-QZTJIDSGSA-N 2 1 379.549 0.025 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+](C2CCC2)C1 ZINC000563730643 1186902778 /nfs/dbraw/zinc/90/27/78/1186902778.db2.gz KQXSUBKILLTLCM-OAHLLOKOSA-N 2 1 376.505 0.716 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000583656878 1186912715 /nfs/dbraw/zinc/91/27/15/1186912715.db2.gz PSQNDLHCURFUFL-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000583693274 1186918515 /nfs/dbraw/zinc/91/85/15/1186918515.db2.gz INQWWKCWGHVPSB-GJZGRUSLSA-N 2 1 389.500 0.184 20 0 GCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000583693273 1186918542 /nfs/dbraw/zinc/91/85/42/1186918542.db2.gz INQWWKCWGHVPSB-CABCVRRESA-N 2 1 389.500 0.184 20 0 GCADMP COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000583725108 1186927006 /nfs/dbraw/zinc/92/70/06/1186927006.db2.gz UJJFGXZYVBPCJP-MRXNPFEDSA-N 2 1 377.489 0.003 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000635203843 1186936312 /nfs/dbraw/zinc/93/63/12/1186936312.db2.gz QQJXOZNGQBPNGP-UHFFFAOYSA-N 2 1 390.532 0.463 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010136 1186937333 /nfs/dbraw/zinc/93/73/33/1186937333.db2.gz UITUJQSKQAFGSL-APWZRJJASA-N 3 1 393.576 0.460 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010136 1186937334 /nfs/dbraw/zinc/93/73/34/1186937334.db2.gz UITUJQSKQAFGSL-APWZRJJASA-N 2 1 393.576 0.460 20 0 GCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000583802571 1186942654 /nfs/dbraw/zinc/94/26/54/1186942654.db2.gz HGQZGEUQQIDOER-INIZCTEOSA-N 2 1 395.573 0.657 20 0 GCADMP CN(CCC[NH3+])C(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000583823918 1186945957 /nfs/dbraw/zinc/94/59/57/1186945957.db2.gz MICWHCPQQIYLAV-UHFFFAOYSA-N 2 1 375.473 0.210 20 0 GCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[N@@H+](Cc4cccs4)C3)CCN2C1=O ZINC000584005911 1186979026 /nfs/dbraw/zinc/97/90/26/1186979026.db2.gz OSISKPVTTLEBLE-HLLBOEOZSA-N 2 1 391.541 0.914 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cn2)[C@H](C)C1 ZINC000685273060 1187008977 /nfs/dbraw/zinc/00/89/77/1187008977.db2.gz FKUHFMQIWONCJQ-MHORFTMASA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@@H](C)C1 ZINC000685273060 1187008978 /nfs/dbraw/zinc/00/89/78/1187008978.db2.gz FKUHFMQIWONCJQ-MHORFTMASA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@@H](C)C1 ZINC000685273060 1187008979 /nfs/dbraw/zinc/00/89/79/1187008979.db2.gz FKUHFMQIWONCJQ-MHORFTMASA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000081395166 1187045283 /nfs/dbraw/zinc/04/52/83/1187045283.db2.gz DZKLBVJDEXAHFG-GOSISDBHSA-N 2 1 375.517 0.821 20 0 GCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000584409265 1187053361 /nfs/dbraw/zinc/05/33/61/1187053361.db2.gz CFEOOTJMJFZNBM-CABCVRRESA-N 2 1 389.500 0.645 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000584409267 1187053667 /nfs/dbraw/zinc/05/36/67/1187053667.db2.gz CFEOOTJMJFZNBM-GJZGRUSLSA-N 2 1 389.500 0.645 20 0 GCADMP CO[C@@H](C[NH3+])C(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000584408558 1187054278 /nfs/dbraw/zinc/05/42/78/1187054278.db2.gz DEEROUYBYOQFEI-SFHVURJKSA-N 2 1 376.501 0.447 20 0 GCADMP COC(=O)[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@@H+](C)C1 ZINC000413555734 1187075382 /nfs/dbraw/zinc/07/53/82/1187075382.db2.gz ROIMIROLDMGRKU-INIZCTEOSA-N 2 1 393.488 0.268 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000685339132 1187102340 /nfs/dbraw/zinc/10/23/40/1187102340.db2.gz DOEWPUDUGDEWPA-IEBWSBKVSA-N 2 1 390.528 0.721 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000685339132 1187102344 /nfs/dbraw/zinc/10/23/44/1187102344.db2.gz DOEWPUDUGDEWPA-IEBWSBKVSA-N 2 1 390.528 0.721 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c1 ZINC000685339131 1187102596 /nfs/dbraw/zinc/10/25/96/1187102596.db2.gz DOEWPUDUGDEWPA-HKUYNNGSSA-N 2 1 390.528 0.721 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC000685339131 1187102604 /nfs/dbraw/zinc/10/26/04/1187102604.db2.gz DOEWPUDUGDEWPA-HKUYNNGSSA-N 2 1 390.528 0.721 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685339123 1187103222 /nfs/dbraw/zinc/10/32/22/1187103222.db2.gz HJSHIJFMHGNJCT-BURFUSLBSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685339123 1187103225 /nfs/dbraw/zinc/10/32/25/1187103225.db2.gz HJSHIJFMHGNJCT-BURFUSLBSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685339123 1187103228 /nfs/dbraw/zinc/10/32/28/1187103228.db2.gz HJSHIJFMHGNJCT-BURFUSLBSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339123 1187103230 /nfs/dbraw/zinc/10/32/30/1187103230.db2.gz HJSHIJFMHGNJCT-BURFUSLBSA-N 2 1 378.517 0.297 20 0 GCADMP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685342907 1187109608 /nfs/dbraw/zinc/10/96/08/1187109608.db2.gz OWESYPQZNNWNBQ-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCO2)CC1 ZINC000685342907 1187109613 /nfs/dbraw/zinc/10/96/13/1187109613.db2.gz OWESYPQZNNWNBQ-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000685342907 1187109616 /nfs/dbraw/zinc/10/96/16/1187109616.db2.gz OWESYPQZNNWNBQ-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000685342907 1187109619 /nfs/dbraw/zinc/10/96/19/1187109619.db2.gz OWESYPQZNNWNBQ-FUHWJXTLSA-N 2 1 382.549 0.792 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000685501421 1187138129 /nfs/dbraw/zinc/13/81/29/1187138129.db2.gz LYRYUIXQZGHKIR-IEBWSBKVSA-N 2 1 392.544 0.690 20 0 GCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685520293 1187143629 /nfs/dbraw/zinc/14/36/29/1187143629.db2.gz BOPMXQVMIRVSED-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520293 1187143636 /nfs/dbraw/zinc/14/36/36/1187143636.db2.gz BOPMXQVMIRVSED-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520293 1187143638 /nfs/dbraw/zinc/14/36/38/1187143638.db2.gz BOPMXQVMIRVSED-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000685520292 1187143699 /nfs/dbraw/zinc/14/36/99/1187143699.db2.gz BOPMXQVMIRVSED-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520292 1187143700 /nfs/dbraw/zinc/14/37/00/1187143700.db2.gz BOPMXQVMIRVSED-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)CC2)C1 ZINC000685520292 1187143701 /nfs/dbraw/zinc/14/37/01/1187143701.db2.gz BOPMXQVMIRVSED-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2O)CC[N@@H+]1C ZINC001023980557 1187213190 /nfs/dbraw/zinc/21/31/90/1187213190.db2.gz UWXXPAREQAHQSA-YLFCFFPRSA-N 2 1 391.516 0.425 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)Cn3cc[nH+]c3C(C)C)C[C@H]2O)CC[N@H+]1C ZINC001023980557 1187213193 /nfs/dbraw/zinc/21/31/93/1187213193.db2.gz UWXXPAREQAHQSA-YLFCFFPRSA-N 2 1 391.516 0.425 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000658180355 1187253340 /nfs/dbraw/zinc/25/33/40/1187253340.db2.gz XBZLFRUNDFKGTP-MSOLQXFVSA-N 2 1 379.549 0.168 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000079548698 1187263681 /nfs/dbraw/zinc/26/36/81/1187263681.db2.gz HPJMZJRHBDKSGR-ZWKOTPCHSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000079548698 1187263683 /nfs/dbraw/zinc/26/36/83/1187263683.db2.gz HPJMZJRHBDKSGR-ZWKOTPCHSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)O1 ZINC000972855921 1187282055 /nfs/dbraw/zinc/28/20/55/1187282055.db2.gz BCXDNMFRDCZULQ-BRSBDYLESA-N 2 1 390.528 0.393 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)O1 ZINC000972855921 1187282059 /nfs/dbraw/zinc/28/20/59/1187282059.db2.gz BCXDNMFRDCZULQ-BRSBDYLESA-N 2 1 390.528 0.393 20 0 GCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC000972856805 1187283501 /nfs/dbraw/zinc/28/35/01/1187283501.db2.gz XGQXKIQNHNQSBN-NCXUSEDFSA-N 2 1 392.544 0.497 20 0 GCADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)CC1 ZINC000972856805 1187283503 /nfs/dbraw/zinc/28/35/03/1187283503.db2.gz XGQXKIQNHNQSBN-NCXUSEDFSA-N 2 1 392.544 0.497 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000413586365 1187363807 /nfs/dbraw/zinc/36/38/07/1187363807.db2.gz PDWFRQSZKYTIMZ-UHFFFAOYSA-N 2 1 388.578 0.802 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612225286 1187413663 /nfs/dbraw/zinc/41/36/63/1187413663.db2.gz ZUOOBOZXEZKYQD-UHFFFAOYSA-N 2 1 387.528 0.962 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612447321 1187493329 /nfs/dbraw/zinc/49/33/29/1187493329.db2.gz PGZFAHJHQACBMB-PKOBYXMFSA-N 2 1 392.544 0.879 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612447318 1187493685 /nfs/dbraw/zinc/49/36/85/1187493685.db2.gz PGZFAHJHQACBMB-HKUYNNGSSA-N 2 1 392.544 0.879 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612484283 1187505437 /nfs/dbraw/zinc/50/54/37/1187505437.db2.gz AGKDEBIIAJLAGH-QZTJIDSGSA-N 2 1 380.533 0.404 20 0 GCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@@H]2C1 ZINC000612560053 1187524631 /nfs/dbraw/zinc/52/46/31/1187524631.db2.gz OQWCFLKWZSNVIW-BSDSXHPESA-N 2 1 390.528 0.299 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@@H]2C1 ZINC000612560053 1187524634 /nfs/dbraw/zinc/52/46/34/1187524634.db2.gz OQWCFLKWZSNVIW-BSDSXHPESA-N 2 1 390.528 0.299 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595568 1187534964 /nfs/dbraw/zinc/53/49/64/1187534964.db2.gz IVLUNMHEPCZXRS-NXHRZFHOSA-N 2 1 378.517 0.299 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595261 1187535842 /nfs/dbraw/zinc/53/58/42/1187535842.db2.gz FRBMXDXDXPOAIF-MSOLQXFVSA-N 2 1 380.533 0.689 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597774 1187536304 /nfs/dbraw/zinc/53/63/04/1187536304.db2.gz NAGZHZCTBZKZHI-KBAYOESNSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000612600585 1187539567 /nfs/dbraw/zinc/53/95/67/1187539567.db2.gz IKNVYCPDLUXQOO-JFIYKMOQSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000570234554 1187551407 /nfs/dbraw/zinc/55/14/07/1187551407.db2.gz ZFKSUYBHVSZCDP-WMZOPIPTSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc(C[NH+](C)C)cc3)C2)CC[N@H+]1C ZINC001024670126 1187569288 /nfs/dbraw/zinc/56/92/88/1187569288.db2.gz HIAVNVNPWBURPC-UTRMSSBJSA-N 2 1 388.512 0.390 20 0 GCADMP C[N@H+]1CCC[C@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870430 1187608990 /nfs/dbraw/zinc/60/89/90/1187608990.db2.gz CVFRSHPEKGDKMN-HOTGVXAUSA-N 2 1 375.521 0.803 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612875035 1187609344 /nfs/dbraw/zinc/60/93/44/1187609344.db2.gz JSPBRKFJQJIETC-MRXNPFEDSA-N 2 1 386.504 0.913 20 0 GCADMP C[C@@]1(NC(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC[NH2+]C1 ZINC000612873579 1187609496 /nfs/dbraw/zinc/60/94/96/1187609496.db2.gz ZTOIOHIFZRLXLO-HXUWFJFHSA-N 2 1 389.500 0.899 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051430 1187669089 /nfs/dbraw/zinc/66/90/89/1187669089.db2.gz MWMVDKZRRFKJEL-QZTJIDSGSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051430 1187669090 /nfs/dbraw/zinc/66/90/90/1187669090.db2.gz MWMVDKZRRFKJEL-QZTJIDSGSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000247030699 1187680663 /nfs/dbraw/zinc/68/06/63/1187680663.db2.gz QQVWILKRMYZLNO-MISYRCLQSA-N 2 1 395.592 0.937 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000892535126 1187710959 /nfs/dbraw/zinc/71/09/59/1187710959.db2.gz ARAGRJKRNOKAKY-QXAKKESOSA-N 2 1 376.501 0.953 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000892535126 1187710961 /nfs/dbraw/zinc/71/09/61/1187710961.db2.gz ARAGRJKRNOKAKY-QXAKKESOSA-N 2 1 376.501 0.953 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC000972990063 1187749760 /nfs/dbraw/zinc/74/97/60/1187749760.db2.gz NYZWFWYBJXYPDN-VDHUWJSZSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC000972990063 1187749765 /nfs/dbraw/zinc/74/97/65/1187749765.db2.gz NYZWFWYBJXYPDN-VDHUWJSZSA-N 2 1 378.517 0.107 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCN3CC[N@@H+](C)C(C)(C)C3)C2)CC1 ZINC000376389025 1187808635 /nfs/dbraw/zinc/80/86/35/1187808635.db2.gz VCLIJJNYWUNCFG-SFHVURJKSA-N 2 1 380.581 0.434 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)CC[N@@H+]1C ZINC000973038051 1187809045 /nfs/dbraw/zinc/80/90/45/1187809045.db2.gz VZJOKNMRUPEQBW-GZOSKZMVSA-N 2 1 389.500 0.749 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)CC[N@H+]1C ZINC000973038051 1187809051 /nfs/dbraw/zinc/80/90/51/1187809051.db2.gz VZJOKNMRUPEQBW-GZOSKZMVSA-N 2 1 389.500 0.749 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000892606336 1187821578 /nfs/dbraw/zinc/82/15/78/1187821578.db2.gz ZNUMRMMOYLCIFL-VBUUOAMHSA-N 2 1 377.533 0.713 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000658989802 1187832133 /nfs/dbraw/zinc/83/21/33/1187832133.db2.gz ZGDGHHCOQABTFI-OAHLLOKOSA-N 2 1 399.455 0.412 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000658989802 1187832140 /nfs/dbraw/zinc/83/21/40/1187832140.db2.gz ZGDGHHCOQABTFI-OAHLLOKOSA-N 2 1 399.455 0.412 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)CC2)C1 ZINC000659061704 1187855529 /nfs/dbraw/zinc/85/55/29/1187855529.db2.gz PTGBZMHUVWCKNI-SFHVURJKSA-N 2 1 393.576 0.558 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[N@H+](C(C)(C)C)CC3)CC2)C1 ZINC000659061700 1187855584 /nfs/dbraw/zinc/85/55/84/1187855584.db2.gz PTGBZMHUVWCKNI-GOSISDBHSA-N 2 1 393.576 0.558 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(OCC[NH+]2CCN(C)CC2)cc1 ZINC000659093428 1187875364 /nfs/dbraw/zinc/87/53/64/1187875364.db2.gz RHSBVDDLPNYRFV-UHFFFAOYSA-N 2 1 391.516 0.447 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000659110881 1187886499 /nfs/dbraw/zinc/88/64/99/1187886499.db2.gz DKXNCNBQPDFWLY-WMLDXEAASA-N 2 1 389.500 0.515 20 0 GCADMP CCCN(C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568940 1187895386 /nfs/dbraw/zinc/89/53/86/1187895386.db2.gz XQLZGNNHSGJYCC-GOSISDBHSA-N 2 1 381.565 0.414 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000647567481 1187895487 /nfs/dbraw/zinc/89/54/87/1187895487.db2.gz VZMHUUXRBDQYHF-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CCOC ZINC000647567481 1187895491 /nfs/dbraw/zinc/89/54/91/1187895491.db2.gz VZMHUUXRBDQYHF-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CCOC ZINC000647567481 1187895496 /nfs/dbraw/zinc/89/54/96/1187895496.db2.gz VZMHUUXRBDQYHF-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000647567481 1187895503 /nfs/dbraw/zinc/89/55/03/1187895503.db2.gz VZMHUUXRBDQYHF-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000584515599 1187917543 /nfs/dbraw/zinc/91/75/43/1187917543.db2.gz DLDJBZPAJJGYSD-UZLBHIALSA-N 2 1 378.517 0.252 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000584515599 1187917544 /nfs/dbraw/zinc/91/75/44/1187917544.db2.gz DLDJBZPAJJGYSD-UZLBHIALSA-N 2 1 378.517 0.252 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423716003 1187920467 /nfs/dbraw/zinc/92/04/67/1187920467.db2.gz ZXBQVTWRQLTWFZ-IBGZPJMESA-N 2 1 387.528 0.083 20 0 GCADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000650960647 1187928468 /nfs/dbraw/zinc/92/84/68/1187928468.db2.gz PLWFBOJIKYNJCH-HXUWFJFHSA-N 2 1 388.512 0.604 20 0 GCADMP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000650960647 1187928472 /nfs/dbraw/zinc/92/84/72/1187928472.db2.gz PLWFBOJIKYNJCH-HXUWFJFHSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)CC[N@H+]1C ZINC001025292301 1187938590 /nfs/dbraw/zinc/93/85/90/1187938590.db2.gz OVBIAHWVPXETRO-BSDSXHPESA-N 2 1 380.533 0.137 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345149 1187945486 /nfs/dbraw/zinc/94/54/86/1187945486.db2.gz DAMVUSZAYXRWFN-RBUKOAKNSA-N 2 1 391.560 0.312 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345054 1187945587 /nfs/dbraw/zinc/94/55/87/1187945587.db2.gz VRMHIKUHLRQYKK-HKUYNNGSSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345054 1187945589 /nfs/dbraw/zinc/94/55/89/1187945589.db2.gz VRMHIKUHLRQYKK-HKUYNNGSSA-N 2 1 393.576 0.602 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344796 1187945898 /nfs/dbraw/zinc/94/58/98/1187945898.db2.gz KVPRJRITFFEGSP-ZWKOTPCHSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344796 1187945901 /nfs/dbraw/zinc/94/59/01/1187945901.db2.gz KVPRJRITFFEGSP-ZWKOTPCHSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344577 1187946484 /nfs/dbraw/zinc/94/64/84/1187946484.db2.gz GXNXPBVKHXXTIM-GOSISDBHSA-N 2 1 393.576 0.556 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344577 1187946486 /nfs/dbraw/zinc/94/64/86/1187946486.db2.gz GXNXPBVKHXXTIM-GOSISDBHSA-N 2 1 393.576 0.556 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@@H]1C ZINC000659433440 1187958527 /nfs/dbraw/zinc/95/85/27/1187958527.db2.gz KDEPEKHNMBOHBJ-LSTDLKDCSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@@H]1C ZINC000659433440 1187958528 /nfs/dbraw/zinc/95/85/28/1187958528.db2.gz KDEPEKHNMBOHBJ-LSTDLKDCSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@H]1C ZINC000659433440 1187958530 /nfs/dbraw/zinc/95/85/30/1187958530.db2.gz KDEPEKHNMBOHBJ-LSTDLKDCSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@H]1C ZINC000659433440 1187958531 /nfs/dbraw/zinc/95/85/31/1187958531.db2.gz KDEPEKHNMBOHBJ-LSTDLKDCSA-N 2 1 392.544 0.375 20 0 GCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659534512 1187967991 /nfs/dbraw/zinc/96/79/91/1187967991.db2.gz AHVXZSGCIIRURT-RXVVDRJESA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)C1 ZINC000659534512 1187967992 /nfs/dbraw/zinc/96/79/92/1187967992.db2.gz AHVXZSGCIIRURT-RXVVDRJESA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)C1 ZINC000659534512 1187967994 /nfs/dbraw/zinc/96/79/94/1187967994.db2.gz AHVXZSGCIIRURT-RXVVDRJESA-N 2 1 391.560 0.169 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)C1 ZINC000659608593 1187976070 /nfs/dbraw/zinc/97/60/70/1187976070.db2.gz DOCCJCUWPOFNHZ-BRWVUGGUSA-N 2 1 393.532 0.126 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659611577 1187976686 /nfs/dbraw/zinc/97/66/86/1187976686.db2.gz SBYOGHYRLQCWML-KZNAEPCWSA-N 2 1 377.533 0.319 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659610220 1187976696 /nfs/dbraw/zinc/97/66/96/1187976696.db2.gz MYBUQROPNAFOHT-KZNAEPCWSA-N 2 1 377.533 0.319 20 0 GCADMP CN(C(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000655468139 1187987759 /nfs/dbraw/zinc/98/77/59/1187987759.db2.gz INDSUBPVWBIRSC-NQIIRXRSSA-N 2 1 391.560 0.073 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000659678373 1187992824 /nfs/dbraw/zinc/99/28/24/1187992824.db2.gz KZDRFJOGCJPZTK-HNNXBMFYSA-N 2 1 392.500 0.590 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C2)cc(OC)c1 ZINC000659678373 1187992825 /nfs/dbraw/zinc/99/28/25/1187992825.db2.gz KZDRFJOGCJPZTK-HNNXBMFYSA-N 2 1 392.500 0.590 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680447 1187993185 /nfs/dbraw/zinc/99/31/85/1187993185.db2.gz NGFUOKNMYWUNOA-RBUKOAKNSA-N 2 1 394.560 0.698 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCCC3)c2)CCO1 ZINC000659684982 1187996375 /nfs/dbraw/zinc/99/63/75/1187996375.db2.gz MKKBFQCPJKMDDO-INIZCTEOSA-N 2 1 388.512 0.911 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCCC3)c2)CCO1 ZINC000659684982 1187996377 /nfs/dbraw/zinc/99/63/77/1187996377.db2.gz MKKBFQCPJKMDDO-INIZCTEOSA-N 2 1 388.512 0.911 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000659682255 1187998664 /nfs/dbraw/zinc/99/86/64/1187998664.db2.gz IGTGCMIQMCKLML-VSZNYVQBSA-N 2 1 382.549 0.825 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@H](C)C1 ZINC000659682253 1187998836 /nfs/dbraw/zinc/99/88/36/1187998836.db2.gz IGTGCMIQMCKLML-BDXSIMOUSA-N 2 1 382.549 0.825 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000659697975 1187999198 /nfs/dbraw/zinc/99/91/98/1187999198.db2.gz MINLTHGFOGVDJW-QGZVFWFLSA-N 2 1 375.517 0.035 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659698339 1187999584 /nfs/dbraw/zinc/99/95/84/1187999584.db2.gz IPSGBAPQXKPCED-INIZCTEOSA-N 2 1 375.517 0.509 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000659699097 1188004247 /nfs/dbraw/zinc/00/42/47/1188004247.db2.gz LDZJYEGXIZBLMH-QGZVFWFLSA-N 2 1 387.528 0.701 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)c2cccs2)CC1 ZINC000659733178 1188019344 /nfs/dbraw/zinc/01/93/44/1188019344.db2.gz WLQCXRMJWQONNX-OAHLLOKOSA-N 2 1 393.557 0.541 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NCCN3CC[NH2+]CC3)cc2)C1 ZINC000415328349 1188039328 /nfs/dbraw/zinc/03/93/28/1188039328.db2.gz LTYAQJSDGWEOLY-KRWDZBQOSA-N 2 1 387.528 0.878 20 0 GCADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000584530785 1188043019 /nfs/dbraw/zinc/04/30/19/1188043019.db2.gz HXKROCDUGYRHFU-IAGOWNOFSA-N 2 1 380.533 0.594 20 0 GCADMP Cc1ccccc1CN1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000565046721 1188060748 /nfs/dbraw/zinc/06/07/48/1188060748.db2.gz QASXMNJXWZDOIK-NRFANRHFSA-N 2 1 385.556 0.619 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415414064 1188074817 /nfs/dbraw/zinc/07/48/17/1188074817.db2.gz FGAMFLVJJFFNOB-OAHLLOKOSA-N 2 1 387.484 0.718 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415429396 1188079363 /nfs/dbraw/zinc/07/93/63/1188079363.db2.gz PZBGQDQFHRKARS-SFHVURJKSA-N 2 1 376.501 0.989 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CC1 ZINC000415535772 1188100583 /nfs/dbraw/zinc/10/05/83/1188100583.db2.gz DBBUNKOKUYCXIG-SFHVURJKSA-N 2 1 399.495 0.766 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415560431 1188106937 /nfs/dbraw/zinc/10/69/37/1188106937.db2.gz FQDXOHKCELVGTN-HNNXBMFYSA-N 2 1 387.484 0.766 20 0 GCADMP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893052972 1188121454 /nfs/dbraw/zinc/12/14/54/1188121454.db2.gz IZQFVIRWOUCBBH-MOPGFXCFSA-N 2 1 381.565 0.766 20 0 GCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)c1 ZINC000415604603 1188121557 /nfs/dbraw/zinc/12/15/57/1188121557.db2.gz MYWXHDLCTSCRPN-QGZVFWFLSA-N 2 1 387.484 0.110 20 0 GCADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893052973 1188121849 /nfs/dbraw/zinc/12/18/49/1188121849.db2.gz IZQFVIRWOUCBBH-OALUTQOASA-N 2 1 381.565 0.766 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2C1 ZINC000415720764 1188151238 /nfs/dbraw/zinc/15/12/38/1188151238.db2.gz FNNYVFRIQILSDR-KRWDZBQOSA-N 2 1 385.512 0.857 20 0 GCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)c2C1 ZINC000415720764 1188151239 /nfs/dbraw/zinc/15/12/39/1188151239.db2.gz FNNYVFRIQILSDR-KRWDZBQOSA-N 2 1 385.512 0.857 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415825259 1189371860 /nfs/dbraw/zinc/37/18/60/1189371860.db2.gz YXGFEFKWTZVTCE-INIZCTEOSA-N 2 1 375.473 0.759 20 0 GCADMP CCOC(=O)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917282 1189373489 /nfs/dbraw/zinc/37/34/89/1189373489.db2.gz SGTBKIMLPPFYQG-RBUKOAKNSA-N 2 1 394.560 0.888 20 0 GCADMP CCOC(=O)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917282 1189373491 /nfs/dbraw/zinc/37/34/91/1189373491.db2.gz SGTBKIMLPPFYQG-RBUKOAKNSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@@H]1C[NH3+] ZINC000415839870 1189376701 /nfs/dbraw/zinc/37/67/01/1189376701.db2.gz FPPQIUSEFCDCHI-WMZOPIPTSA-N 2 1 388.512 0.943 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854943 1189382791 /nfs/dbraw/zinc/38/27/91/1189382791.db2.gz NTPTZJINQIAIHJ-APWZRJJASA-N 2 1 387.528 0.877 20 0 GCADMP C[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)CC[NH3+])c1 ZINC000415877205 1189392957 /nfs/dbraw/zinc/39/29/57/1189392957.db2.gz HMUHEIATMMFNEN-ZDUSSCGKSA-N 2 1 393.463 0.994 20 0 GCADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)CC[NH3+])c1 ZINC000415877205 1189392962 /nfs/dbraw/zinc/39/29/62/1189392962.db2.gz HMUHEIATMMFNEN-ZDUSSCGKSA-N 2 1 393.463 0.994 20 0 GCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000378154337 1189430746 /nfs/dbraw/zinc/43/07/46/1189430746.db2.gz XHOBCGSQOTYKAE-OALUTQOASA-N 2 1 381.565 0.955 20 0 GCADMP C[C@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313770 1189472108 /nfs/dbraw/zinc/47/21/08/1189472108.db2.gz GULIXYUHUWRJPY-LPHOPBHVSA-N 2 1 396.557 0.671 20 0 GCADMP C[C@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313770 1189472113 /nfs/dbraw/zinc/47/21/13/1189472113.db2.gz GULIXYUHUWRJPY-LPHOPBHVSA-N 2 1 396.557 0.671 20 0 GCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cn1 ZINC000570428933 1189571028 /nfs/dbraw/zinc/57/10/28/1189571028.db2.gz OXVURAHMTFKEIS-GOSISDBHSA-N 2 1 378.521 0.889 20 0 GCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cn1 ZINC000570428933 1189571031 /nfs/dbraw/zinc/57/10/31/1189571031.db2.gz OXVURAHMTFKEIS-GOSISDBHSA-N 2 1 378.521 0.889 20 0 GCADMP O=C(NC1C[NH2+]C1)C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000584581007 1189580870 /nfs/dbraw/zinc/58/08/70/1189580870.db2.gz AZOVPVRLLXYPNV-UHFFFAOYSA-N 2 1 376.460 0.989 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000660113743 1189593067 /nfs/dbraw/zinc/59/30/67/1189593067.db2.gz FOVBORCLYCJPQP-ZWKOTPCHSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000660113743 1189593070 /nfs/dbraw/zinc/59/30/70/1189593070.db2.gz FOVBORCLYCJPQP-ZWKOTPCHSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660113743 1189593074 /nfs/dbraw/zinc/59/30/74/1189593074.db2.gz FOVBORCLYCJPQP-ZWKOTPCHSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660113743 1189593078 /nfs/dbraw/zinc/59/30/78/1189593078.db2.gz FOVBORCLYCJPQP-ZWKOTPCHSA-N 2 1 379.549 0.023 20 0 GCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000151985557 1189593307 /nfs/dbraw/zinc/59/33/07/1189593307.db2.gz HLYPUBAKFKGTKC-OWCLPIDISA-N 2 1 378.521 0.866 20 0 GCADMP [NH3+]CC[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416942844 1189596409 /nfs/dbraw/zinc/59/64/09/1189596409.db2.gz DXQIXOQIEQSTSA-KRWDZBQOSA-N 2 1 375.521 0.759 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[C@@H]1CCC[NH2+]C1 ZINC000416943364 1189596553 /nfs/dbraw/zinc/59/65/53/1189596553.db2.gz FLWCKOOFHVWUAS-KRWDZBQOSA-N 2 1 375.521 0.678 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416942471 1189597095 /nfs/dbraw/zinc/59/70/95/1189597095.db2.gz BBGDOQSIDPEOIO-QZTJIDSGSA-N 2 1 397.564 0.620 20 0 GCADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416942468 1189597162 /nfs/dbraw/zinc/59/71/62/1189597162.db2.gz BBGDOQSIDPEOIO-MSOLQXFVSA-N 2 1 397.564 0.620 20 0 GCADMP CCCN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000416954691 1189598446 /nfs/dbraw/zinc/59/84/46/1189598446.db2.gz IQWDDMLPXSAGJJ-KRWDZBQOSA-N 2 1 375.521 0.772 20 0 GCADMP CC(C)C[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416944987 1189599430 /nfs/dbraw/zinc/59/94/30/1189599430.db2.gz VTNXEYYKHDEFBZ-DLBZAZTESA-N 2 1 383.537 0.230 20 0 GCADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963480 1189601016 /nfs/dbraw/zinc/60/10/16/1189601016.db2.gz ZGCZPEHBDFEMMB-IAGOWNOFSA-N 2 1 375.521 0.805 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015986 1189607577 /nfs/dbraw/zinc/60/75/77/1189607577.db2.gz HUFRISQLJBBFQV-OALUTQOASA-N 2 1 375.517 0.734 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015986 1189607583 /nfs/dbraw/zinc/60/75/83/1189607583.db2.gz HUFRISQLJBBFQV-OALUTQOASA-N 2 1 375.517 0.734 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417015986 1189607586 /nfs/dbraw/zinc/60/75/86/1189607586.db2.gz HUFRISQLJBBFQV-OALUTQOASA-N 2 1 375.517 0.734 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014822 1189608364 /nfs/dbraw/zinc/60/83/64/1189608364.db2.gz FYHUKMSCIUXZKW-RTBURBONSA-N 2 1 375.517 0.653 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014822 1189608369 /nfs/dbraw/zinc/60/83/69/1189608369.db2.gz FYHUKMSCIUXZKW-RTBURBONSA-N 2 1 375.517 0.653 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014822 1189608373 /nfs/dbraw/zinc/60/83/73/1189608373.db2.gz FYHUKMSCIUXZKW-RTBURBONSA-N 2 1 375.517 0.653 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NCCN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000417026188 1189609711 /nfs/dbraw/zinc/60/97/11/1189609711.db2.gz SMXDSOQXERCLSB-HXUWFJFHSA-N 2 1 388.560 0.570 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)NCCN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000417026188 1189609717 /nfs/dbraw/zinc/60/97/17/1189609717.db2.gz SMXDSOQXERCLSB-HXUWFJFHSA-N 2 1 388.560 0.570 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)NCCN2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000417026188 1189609720 /nfs/dbraw/zinc/60/97/20/1189609720.db2.gz SMXDSOQXERCLSB-HXUWFJFHSA-N 2 1 388.560 0.570 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000417040608 1189611079 /nfs/dbraw/zinc/61/10/79/1189611079.db2.gz LPWAKHBWEGBHKW-SFHVURJKSA-N 2 1 379.480 0.707 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000417044289 1189612341 /nfs/dbraw/zinc/61/23/41/1189612341.db2.gz XVQKXSWLYVQBMX-FGTMMUONSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000417044289 1189612346 /nfs/dbraw/zinc/61/23/46/1189612346.db2.gz XVQKXSWLYVQBMX-FGTMMUONSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048364 1189612552 /nfs/dbraw/zinc/61/25/52/1189612552.db2.gz WSPHTVQLITWDCN-MJGOQNOKSA-N 2 1 375.517 0.956 20 0 GCADMP Cc1ccc(NCCCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)[nH+]c1 ZINC000417072316 1189614741 /nfs/dbraw/zinc/61/47/41/1189614741.db2.gz XGPSGPWAXBFSCO-APWZRJJASA-N 2 1 388.516 1.138 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000417158757 1189626340 /nfs/dbraw/zinc/62/63/40/1189626340.db2.gz OFQKCRZHKGWDGH-HXUWFJFHSA-N 2 1 389.544 0.954 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCCN3CC[NH2+]CC3)c2)CCO1 ZINC000417266652 1189638704 /nfs/dbraw/zinc/63/87/04/1189638704.db2.gz FHDANQRHOSBGQQ-KRWDZBQOSA-N 2 1 375.517 0.612 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCN3CC[NH2+]CC3)c2)CCO1 ZINC000417266652 1189638708 /nfs/dbraw/zinc/63/87/08/1189638708.db2.gz FHDANQRHOSBGQQ-KRWDZBQOSA-N 2 1 375.517 0.612 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736700 1189644103 /nfs/dbraw/zinc/64/41/03/1189644103.db2.gz CGWRKKAAUVTUHH-OALUTQOASA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000584736700 1189644106 /nfs/dbraw/zinc/64/41/06/1189644106.db2.gz CGWRKKAAUVTUHH-OALUTQOASA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000584736700 1189644109 /nfs/dbraw/zinc/64/41/09/1189644109.db2.gz CGWRKKAAUVTUHH-OALUTQOASA-N 2 1 388.512 0.462 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000417462721 1189668552 /nfs/dbraw/zinc/66/85/52/1189668552.db2.gz YERQAJXQDHYIAV-GOSISDBHSA-N 2 1 380.489 0.513 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488262 1189672067 /nfs/dbraw/zinc/67/20/67/1189672067.db2.gz CHLAWDUGOCOOHN-OALUTQOASA-N 2 1 377.533 0.899 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)NCC(F)(F)C[NH3+])c2)C1 ZINC000417542963 1189679369 /nfs/dbraw/zinc/67/93/69/1189679369.db2.gz FKMBXYSMIHXJAJ-HNNXBMFYSA-N 2 1 383.443 0.777 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NCC(F)(F)C[NH3+])c2)C1 ZINC000417542963 1189679372 /nfs/dbraw/zinc/67/93/72/1189679372.db2.gz FKMBXYSMIHXJAJ-HNNXBMFYSA-N 2 1 383.443 0.777 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@H]21 ZINC000584825493 1189682388 /nfs/dbraw/zinc/68/23/88/1189682388.db2.gz AXDRPHZHRDKRSS-RTBURBONSA-N 2 1 392.544 0.500 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1)[NH+](C)C ZINC000584850340 1189691687 /nfs/dbraw/zinc/69/16/87/1189691687.db2.gz OVTBKZMXYBNNEJ-KBMXLJTQSA-N 2 1 375.473 0.251 20 0 GCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000417667771 1189694604 /nfs/dbraw/zinc/69/46/04/1189694604.db2.gz IYFUUCTVQQZJGQ-UHFFFAOYSA-N 2 1 391.516 0.266 20 0 GCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NCCN1CC[NH2+]CC1)CC2 ZINC000417667771 1189694607 /nfs/dbraw/zinc/69/46/07/1189694607.db2.gz IYFUUCTVQQZJGQ-UHFFFAOYSA-N 2 1 391.516 0.266 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@@H]1C ZINC000660260614 1189695122 /nfs/dbraw/zinc/69/51/22/1189695122.db2.gz AGTBDYHUYGCIDI-OKZBNKHCSA-N 2 1 380.533 0.641 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417705522 1189698408 /nfs/dbraw/zinc/69/84/08/1189698408.db2.gz MBELAKOYEYYTKZ-WDYCEAGBSA-N 2 1 377.533 0.949 20 0 GCADMP COC[C@]1(CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000417742361 1189703166 /nfs/dbraw/zinc/70/31/66/1189703166.db2.gz KBPKWEBHFVYNGS-FXAWDEMLSA-N 2 1 390.532 0.660 20 0 GCADMP CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900911 1189707320 /nfs/dbraw/zinc/70/73/20/1189707320.db2.gz VJZVWXMGBUNXRQ-HSALFYBXSA-N 2 1 389.544 0.869 20 0 GCADMP CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900911 1189707323 /nfs/dbraw/zinc/70/73/23/1189707323.db2.gz VJZVWXMGBUNXRQ-HSALFYBXSA-N 2 1 389.544 0.869 20 0 GCADMP CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900913 1189707367 /nfs/dbraw/zinc/70/73/67/1189707367.db2.gz VJZVWXMGBUNXRQ-UFYCRDLUSA-N 2 1 389.544 0.869 20 0 GCADMP CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900913 1189707370 /nfs/dbraw/zinc/70/73/70/1189707370.db2.gz VJZVWXMGBUNXRQ-UFYCRDLUSA-N 2 1 389.544 0.869 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000418179252 1189734469 /nfs/dbraw/zinc/73/44/69/1189734469.db2.gz XKHSIODIMOVKQH-AWEZNQCLSA-N 2 1 394.486 0.148 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418296080 1189750511 /nfs/dbraw/zinc/75/05/11/1189750511.db2.gz IXGPCYKGMBTMTF-HXUWFJFHSA-N 2 1 375.517 0.170 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000364331907 1189751492 /nfs/dbraw/zinc/75/14/92/1189751492.db2.gz MVFVDFAGNHWICO-MSOLQXFVSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCCO1 ZINC000364331907 1189751498 /nfs/dbraw/zinc/75/14/98/1189751498.db2.gz MVFVDFAGNHWICO-MSOLQXFVSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000364331907 1189751501 /nfs/dbraw/zinc/75/15/01/1189751501.db2.gz MVFVDFAGNHWICO-MSOLQXFVSA-N 2 1 395.548 0.435 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418295185 1189751632 /nfs/dbraw/zinc/75/16/32/1189751632.db2.gz HOYUYEZNJOSYOH-OALUTQOASA-N 2 1 375.517 0.074 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000418299476 1189753106 /nfs/dbraw/zinc/75/31/06/1189753106.db2.gz OAZXMZDFHFCIAB-UHFFFAOYSA-N 2 1 388.560 0.351 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418297907 1189753424 /nfs/dbraw/zinc/75/34/24/1189753424.db2.gz LIXGMOISUXHFTH-VQTJNVASSA-N 2 1 389.544 0.464 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418297910 1189753649 /nfs/dbraw/zinc/75/36/49/1189753649.db2.gz LIXGMOISUXHFTH-WOJBJXKFSA-N 2 1 389.544 0.464 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC000652693963 1189798735 /nfs/dbraw/zinc/79/87/35/1189798735.db2.gz KMRMESINJGFDRR-DZVNLGKHSA-N 2 1 378.517 0.474 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC000652693965 1189799063 /nfs/dbraw/zinc/79/90/63/1189799063.db2.gz KMRMESINJGFDRR-ZBRFXRBCSA-N 2 1 378.517 0.474 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500430797 1189849989 /nfs/dbraw/zinc/84/99/89/1189849989.db2.gz YWORJZCBURZUDC-BBWFWOEESA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500430797 1189849995 /nfs/dbraw/zinc/84/99/95/1189849995.db2.gz YWORJZCBURZUDC-BBWFWOEESA-N 2 1 380.533 0.687 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000670805133 1189881180 /nfs/dbraw/zinc/88/11/80/1189881180.db2.gz PIYDLTXSRFOWDB-IBGZPJMESA-N 2 1 393.576 0.461 20 0 GCADMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000616995293 1189894693 /nfs/dbraw/zinc/89/46/93/1189894693.db2.gz OPMMHSZKYBVGLJ-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000616995293 1189894696 /nfs/dbraw/zinc/89/46/96/1189894696.db2.gz OPMMHSZKYBVGLJ-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652125543 1189902293 /nfs/dbraw/zinc/90/22/93/1189902293.db2.gz XUANIMWEWOGYKI-SCTDSRPQSA-N 2 1 381.565 0.940 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000660586556 1189911554 /nfs/dbraw/zinc/91/15/54/1189911554.db2.gz ZADGWFXBKZRIQQ-SFHVURJKSA-N 2 1 379.549 0.995 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC000975210803 1189926918 /nfs/dbraw/zinc/92/69/18/1189926918.db2.gz OPXKJZZCZMDMLK-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC000975210803 1189926920 /nfs/dbraw/zinc/92/69/20/1189926920.db2.gz OPXKJZZCZMDMLK-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC000975210803 1189926923 /nfs/dbraw/zinc/92/69/23/1189926923.db2.gz OPXKJZZCZMDMLK-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC000975210803 1189926925 /nfs/dbraw/zinc/92/69/25/1189926925.db2.gz OPXKJZZCZMDMLK-BRSBDYLESA-N 2 1 392.544 0.497 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000660709555 1189941410 /nfs/dbraw/zinc/94/14/10/1189941410.db2.gz FQOKQNZWXJVSAZ-KRWDZBQOSA-N 2 1 379.549 0.960 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000660709555 1189941416 /nfs/dbraw/zinc/94/14/16/1189941416.db2.gz FQOKQNZWXJVSAZ-KRWDZBQOSA-N 2 1 379.549 0.960 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864836 1189959298 /nfs/dbraw/zinc/95/92/98/1189959298.db2.gz PLGMIFXWMYCSRX-WOJBJXKFSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864836 1189959299 /nfs/dbraw/zinc/95/92/99/1189959299.db2.gz PLGMIFXWMYCSRX-WOJBJXKFSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864836 1189959304 /nfs/dbraw/zinc/95/93/04/1189959304.db2.gz PLGMIFXWMYCSRX-WOJBJXKFSA-N 2 1 393.576 0.814 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@@H]32)CC[N@@H+]1C ZINC000975812354 1189981408 /nfs/dbraw/zinc/98/14/08/1189981408.db2.gz XNOPIEVRGCEWTE-HCXYKTFWSA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@@H]32)CC[N@H+]1C ZINC000975812354 1189981414 /nfs/dbraw/zinc/98/14/14/1189981414.db2.gz XNOPIEVRGCEWTE-HCXYKTFWSA-N 2 1 392.544 0.498 20 0 GCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000661085307 1189989718 /nfs/dbraw/zinc/98/97/18/1189989718.db2.gz VAPWPRDDLNAFBW-GOSISDBHSA-N 2 1 381.565 0.415 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC[N@@H+]1CCOC ZINC000661214234 1190016436 /nfs/dbraw/zinc/01/64/36/1190016436.db2.gz WPVMBWCQJPEIQN-ROUUACIJSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC[N@H+]1CCOC ZINC000661214234 1190016440 /nfs/dbraw/zinc/01/64/40/1190016440.db2.gz WPVMBWCQJPEIQN-ROUUACIJSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC[N@@H+]1CCOC ZINC000661214231 1190016906 /nfs/dbraw/zinc/01/69/06/1190016906.db2.gz WPVMBWCQJPEIQN-MSOLQXFVSA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC[N@H+]1CCOC ZINC000661214231 1190016909 /nfs/dbraw/zinc/01/69/09/1190016909.db2.gz WPVMBWCQJPEIQN-MSOLQXFVSA-N 2 1 382.549 0.935 20 0 GCADMP CN(C(=O)[C@H]1[NH2+]CCC1(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662792709 1190031853 /nfs/dbraw/zinc/03/18/53/1190031853.db2.gz XOGUZBJDZHBSNZ-GOSISDBHSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C(=O)c1cccc2c1C[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791251 1190032255 /nfs/dbraw/zinc/03/22/55/1190032255.db2.gz PLGGSOPDYGPGNO-UHFFFAOYSA-N 2 1 399.539 0.600 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@H]2C1 ZINC000661403655 1190042846 /nfs/dbraw/zinc/04/28/46/1190042846.db2.gz YAIQTOPSSKTITP-ROUUACIJSA-N 2 1 378.517 0.110 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419223864 1193722505 /nfs/dbraw/zinc/72/25/05/1193722505.db2.gz YSHQNQIYIGLSPW-GOSISDBHSA-N 2 1 376.501 0.719 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000411033680 1193724431 /nfs/dbraw/zinc/72/44/31/1193724431.db2.gz WIWPZMDQBAWFIN-HKUYNNGSSA-N 2 1 393.576 0.554 20 0 GCADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCCC[C@H]1C ZINC000512665133 1193729551 /nfs/dbraw/zinc/72/95/51/1193729551.db2.gz DQSSIXKYNKTWTE-RTBURBONSA-N 2 1 383.581 0.939 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419228679 1193734796 /nfs/dbraw/zinc/73/47/96/1193734796.db2.gz MRMXPRGGLMUJEV-BHIYHBOVSA-N 2 1 388.512 0.589 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCNC[C@H]1c1cccnc1 ZINC000419232338 1193741975 /nfs/dbraw/zinc/74/19/75/1193741975.db2.gz UMIJONYREROOOS-MOPGFXCFSA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419232338 1193741981 /nfs/dbraw/zinc/74/19/81/1193741981.db2.gz UMIJONYREROOOS-MOPGFXCFSA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000419232338 1193741983 /nfs/dbraw/zinc/74/19/83/1193741983.db2.gz UMIJONYREROOOS-MOPGFXCFSA-N 2 1 385.512 0.935 20 0 GCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419231217 1193742191 /nfs/dbraw/zinc/74/21/91/1193742191.db2.gz RPKNPKOCFUENLZ-QGZVFWFLSA-N 2 1 380.533 0.724 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419235081 1193746439 /nfs/dbraw/zinc/74/64/39/1193746439.db2.gz YOWQYKBWYSLJGI-FNPVLLODSA-N 2 1 384.524 0.937 20 0 GCADMP CC(C)OC[C@H](CO)N(C)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000433153090 1193767322 /nfs/dbraw/zinc/76/73/22/1193767322.db2.gz OFQGHRVLCUOVHR-SFHVURJKSA-N 2 1 385.549 0.855 20 0 GCADMP CCc1ccc([C@H](CNC(=O)C(=O)NCCC[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000549882694 1193774770 /nfs/dbraw/zinc/77/47/70/1193774770.db2.gz UWZFLLJRNOUSGQ-IBGZPJMESA-N 2 1 390.528 0.806 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419267701 1193775583 /nfs/dbraw/zinc/77/55/83/1193775583.db2.gz KESCWLKRIFSGKH-SFHVURJKSA-N 2 1 376.501 0.769 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419266644 1193777356 /nfs/dbraw/zinc/77/73/56/1193777356.db2.gz HHSSCMMUGVNJBR-RTBURBONSA-N 2 1 386.496 0.203 20 0 GCADMP C[C@@]1(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000419269927 1193778338 /nfs/dbraw/zinc/77/83/38/1193778338.db2.gz PVDZXBVTCMYBMN-OAQYLSRUSA-N 2 1 388.512 0.641 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419272692 1193778940 /nfs/dbraw/zinc/77/89/40/1193778940.db2.gz VUKGLDCRKGZYNQ-VQIMIIECSA-N 2 1 388.512 0.721 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419275537 1193779579 /nfs/dbraw/zinc/77/95/79/1193779579.db2.gz YWYHIDSZFOQICL-UHFFFAOYSA-N 2 1 376.501 0.769 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419275657 1193779672 /nfs/dbraw/zinc/77/96/72/1193779672.db2.gz ZBWTXWNEJSNGHY-OAQYLSRUSA-N 2 1 386.496 0.347 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000419273240 1193780211 /nfs/dbraw/zinc/78/02/11/1193780211.db2.gz WQVIWYPUCHSTRK-LJQANCHMSA-N 2 1 388.512 0.769 20 0 GCADMP CCCN(C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000419273214 1193780338 /nfs/dbraw/zinc/78/03/38/1193780338.db2.gz WPEZYCHULDFVQW-LJQANCHMSA-N 2 1 388.512 0.736 20 0 GCADMP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000509822286 1193790292 /nfs/dbraw/zinc/79/02/92/1193790292.db2.gz FMZIQNQJTJQMHN-HNNXBMFYSA-N 2 1 389.500 0.469 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+]1CCCOCC1 ZINC000458835041 1193791062 /nfs/dbraw/zinc/79/10/62/1193791062.db2.gz CGROBUAYAQIYCK-NRFANRHFSA-N 2 1 390.528 0.987 20 0 GCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458835041 1193791066 /nfs/dbraw/zinc/79/10/66/1193791066.db2.gz CGROBUAYAQIYCK-NRFANRHFSA-N 2 1 390.528 0.987 20 0 GCADMP CN(C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+]1CCCOCC1 ZINC000458835041 1193791070 /nfs/dbraw/zinc/79/10/70/1193791070.db2.gz CGROBUAYAQIYCK-NRFANRHFSA-N 2 1 390.528 0.987 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000419305847 1193798341 /nfs/dbraw/zinc/79/83/41/1193798341.db2.gz XMOBCAAJPPQKRG-JCGIZDLHSA-N 2 1 392.475 0.163 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000419305095 1193799119 /nfs/dbraw/zinc/79/91/19/1193799119.db2.gz WESHIKMPVLKPBS-ROUUACIJSA-N 2 1 385.468 0.578 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664063316 1193799997 /nfs/dbraw/zinc/79/99/97/1193799997.db2.gz PQVVAOIOMZTKEP-SFHVURJKSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000428754821 1193819248 /nfs/dbraw/zinc/81/92/48/1193819248.db2.gz VVXXSXACVAXZEG-DOTOQJQBSA-N 2 1 381.521 0.221 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000428754821 1193819250 /nfs/dbraw/zinc/81/92/50/1193819250.db2.gz VVXXSXACVAXZEG-DOTOQJQBSA-N 2 1 381.521 0.221 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000428754821 1193819251 /nfs/dbraw/zinc/81/92/51/1193819251.db2.gz VVXXSXACVAXZEG-DOTOQJQBSA-N 2 1 381.521 0.221 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000576227199 1193822193 /nfs/dbraw/zinc/82/21/93/1193822193.db2.gz KIUNJHOTOOQVSX-IRXDYDNUSA-N 2 1 391.516 0.375 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H]([NH2+]C)C3)cc2)CC1 ZINC000419329970 1193822432 /nfs/dbraw/zinc/82/24/32/1193822432.db2.gz FQOSCAMFSLTIQY-IBGZPJMESA-N 2 1 387.528 0.261 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000419335793 1193828014 /nfs/dbraw/zinc/82/80/14/1193828014.db2.gz KCEXMLAAMPAHCZ-MRXNPFEDSA-N 2 1 375.517 0.294 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433450999 1193843047 /nfs/dbraw/zinc/84/30/47/1193843047.db2.gz AUAGZTGDVDDITD-DLBZAZTESA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433450999 1193843051 /nfs/dbraw/zinc/84/30/51/1193843051.db2.gz AUAGZTGDVDDITD-DLBZAZTESA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433450999 1193843053 /nfs/dbraw/zinc/84/30/53/1193843053.db2.gz AUAGZTGDVDDITD-DLBZAZTESA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433450999 1193843056 /nfs/dbraw/zinc/84/30/56/1193843056.db2.gz AUAGZTGDVDDITD-DLBZAZTESA-N 2 1 384.521 0.766 20 0 GCADMP Cn1ccnc1[C@@H](NC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)(C)CO ZINC000664129326 1193856965 /nfs/dbraw/zinc/85/69/65/1193856965.db2.gz FEOWXOOWELQFBC-DOTOQJQBSA-N 2 1 392.548 0.947 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652703968 1193863755 /nfs/dbraw/zinc/86/37/55/1193863755.db2.gz CHSWTTCOKLNPOC-IYWMVGAKSA-N 2 1 384.524 0.876 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H](Cc2ccccc2)C1 ZINC000652703968 1193863761 /nfs/dbraw/zinc/86/37/61/1193863761.db2.gz CHSWTTCOKLNPOC-IYWMVGAKSA-N 2 1 384.524 0.876 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399059 1193871569 /nfs/dbraw/zinc/87/15/69/1193871569.db2.gz FIKXOBLNGBAOJY-GDBMZVCRSA-N 2 1 379.505 0.335 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399059 1193871574 /nfs/dbraw/zinc/87/15/74/1193871574.db2.gz FIKXOBLNGBAOJY-GDBMZVCRSA-N 2 1 379.505 0.335 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419387734 1193897078 /nfs/dbraw/zinc/89/70/78/1193897078.db2.gz CYIVZXNIKCCBCI-IRXDYDNUSA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419387734 1193897082 /nfs/dbraw/zinc/89/70/82/1193897082.db2.gz CYIVZXNIKCCBCI-IRXDYDNUSA-N 2 1 376.526 0.574 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@H]1[NH3+] ZINC000419388454 1193898216 /nfs/dbraw/zinc/89/82/16/1193898216.db2.gz DRGZDFAPXMWUIK-DJIMGWMZSA-N 2 1 376.526 0.526 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C[C@H]1[NH3+] ZINC000419388454 1193898219 /nfs/dbraw/zinc/89/82/19/1193898219.db2.gz DRGZDFAPXMWUIK-DJIMGWMZSA-N 2 1 376.526 0.526 20 0 GCADMP C[N@@H+](CCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1)C1CCOCC1 ZINC000262505137 1193949619 /nfs/dbraw/zinc/94/96/19/1193949619.db2.gz LGRXUHLBOZONTM-IEBWSBKVSA-N 2 1 377.485 0.515 20 0 GCADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000458843117 1193960761 /nfs/dbraw/zinc/96/07/61/1193960761.db2.gz MMWCEEUTOZHMLB-RTBURBONSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000458843117 1193960763 /nfs/dbraw/zinc/96/07/63/1193960763.db2.gz MMWCEEUTOZHMLB-RTBURBONSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000458843117 1193960764 /nfs/dbraw/zinc/96/07/64/1193960764.db2.gz MMWCEEUTOZHMLB-RTBURBONSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000458843115 1193960973 /nfs/dbraw/zinc/96/09/73/1193960973.db2.gz MMWCEEUTOZHMLB-OALUTQOASA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000458843115 1193960974 /nfs/dbraw/zinc/96/09/74/1193960974.db2.gz MMWCEEUTOZHMLB-OALUTQOASA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000458843115 1193960977 /nfs/dbraw/zinc/96/09/77/1193960977.db2.gz MMWCEEUTOZHMLB-OALUTQOASA-N 2 1 376.501 0.643 20 0 GCADMP C[C@@H]1C[NH+](CCO)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)n1 ZINC000894234099 1193968568 /nfs/dbraw/zinc/96/85/68/1193968568.db2.gz RWOBENAUYLGVJW-VSZNYVQBSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)n1 ZINC000894234099 1193968569 /nfs/dbraw/zinc/96/85/69/1193968569.db2.gz RWOBENAUYLGVJW-VSZNYVQBSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)n1 ZINC000894234099 1193968570 /nfs/dbraw/zinc/96/85/70/1193968570.db2.gz RWOBENAUYLGVJW-VSZNYVQBSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419400634 1194019000 /nfs/dbraw/zinc/01/90/00/1194019000.db2.gz MWRVQDXVOWUDAK-JQHSSLGASA-N 2 1 390.553 0.916 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419400634 1194019005 /nfs/dbraw/zinc/01/90/05/1194019005.db2.gz MWRVQDXVOWUDAK-JQHSSLGASA-N 2 1 390.553 0.916 20 0 GCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400891 1194019389 /nfs/dbraw/zinc/01/93/89/1194019389.db2.gz NXMYQQSCHPNUBX-AEFFLSMTSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400891 1194019391 /nfs/dbraw/zinc/01/93/91/1194019391.db2.gz NXMYQQSCHPNUBX-AEFFLSMTSA-N 2 1 390.553 0.836 20 0 GCADMP CC[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419404048 1194021044 /nfs/dbraw/zinc/02/10/44/1194021044.db2.gz FGPYXGRVNRNNIE-RTBURBONSA-N 2 1 388.512 0.434 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419404598 1194021306 /nfs/dbraw/zinc/02/13/06/1194021306.db2.gz UBYQXNMAHTYESU-NJAFHUGGSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419404598 1194021309 /nfs/dbraw/zinc/02/13/09/1194021309.db2.gz UBYQXNMAHTYESU-NJAFHUGGSA-N 2 1 390.553 0.916 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419407123 1194021675 /nfs/dbraw/zinc/02/16/75/1194021675.db2.gz XTFVEXWAZAUSIY-KRWDZBQOSA-N 2 1 378.542 0.788 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419407123 1194021679 /nfs/dbraw/zinc/02/16/79/1194021679.db2.gz XTFVEXWAZAUSIY-KRWDZBQOSA-N 2 1 378.542 0.788 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419630 1194022811 /nfs/dbraw/zinc/02/28/11/1194022811.db2.gz SDRAOHSVLHXIAY-FHWLQOOXSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419630 1194022814 /nfs/dbraw/zinc/02/28/14/1194022814.db2.gz SDRAOHSVLHXIAY-FHWLQOOXSA-N 2 1 388.512 0.650 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419420457 1194023281 /nfs/dbraw/zinc/02/32/81/1194023281.db2.gz NAPOKKONPBTGPU-IEBWSBKVSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419420457 1194023285 /nfs/dbraw/zinc/02/32/85/1194023285.db2.gz NAPOKKONPBTGPU-IEBWSBKVSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419420457 1194023291 /nfs/dbraw/zinc/02/32/91/1194023291.db2.gz NAPOKKONPBTGPU-IEBWSBKVSA-N 2 1 389.544 0.453 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423599 1194024505 /nfs/dbraw/zinc/02/45/05/1194024505.db2.gz YRFGZYFTBFQXCQ-GBESFXJTSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423599 1194024510 /nfs/dbraw/zinc/02/45/10/1194024510.db2.gz YRFGZYFTBFQXCQ-GBESFXJTSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423600 1194025658 /nfs/dbraw/zinc/02/56/58/1194025658.db2.gz YRFGZYFTBFQXCQ-GUDVDZBRSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423600 1194025663 /nfs/dbraw/zinc/02/56/63/1194025663.db2.gz YRFGZYFTBFQXCQ-GUDVDZBRSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427511 1194026660 /nfs/dbraw/zinc/02/66/60/1194026660.db2.gz ZBSIBXOAFLWOPK-FUHWJXTLSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419427511 1194026662 /nfs/dbraw/zinc/02/66/62/1194026662.db2.gz ZBSIBXOAFLWOPK-FUHWJXTLSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419427511 1194026665 /nfs/dbraw/zinc/02/66/65/1194026665.db2.gz ZBSIBXOAFLWOPK-FUHWJXTLSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427142 1194027355 /nfs/dbraw/zinc/02/73/55/1194027355.db2.gz YOICSTYSWLJREV-SJLPKXTDSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419427142 1194027360 /nfs/dbraw/zinc/02/73/60/1194027360.db2.gz YOICSTYSWLJREV-SJLPKXTDSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419427142 1194027365 /nfs/dbraw/zinc/02/73/65/1194027365.db2.gz YOICSTYSWLJREV-SJLPKXTDSA-N 2 1 375.517 0.192 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411316 1194029622 /nfs/dbraw/zinc/02/96/22/1194029622.db2.gz HNBOLXWPYBMXNA-ROUUACIJSA-N 2 1 376.501 0.637 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411316 1194029627 /nfs/dbraw/zinc/02/96/27/1194029627.db2.gz HNBOLXWPYBMXNA-ROUUACIJSA-N 2 1 376.501 0.637 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000419414854 1194030595 /nfs/dbraw/zinc/03/05/95/1194030595.db2.gz HHFMNHHOLIIRJH-MOPGFXCFSA-N 2 1 387.528 0.302 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000419414854 1194030603 /nfs/dbraw/zinc/03/06/03/1194030603.db2.gz HHFMNHHOLIIRJH-MOPGFXCFSA-N 2 1 387.528 0.302 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411953 1194030839 /nfs/dbraw/zinc/03/08/39/1194030839.db2.gz CJHGETAAOQRYBA-RBUKOAKNSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411953 1194030844 /nfs/dbraw/zinc/03/08/44/1194030844.db2.gz CJHGETAAOQRYBA-RBUKOAKNSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419411953 1194030847 /nfs/dbraw/zinc/03/08/47/1194030847.db2.gz CJHGETAAOQRYBA-RBUKOAKNSA-N 2 1 387.528 0.335 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419455604 1194032956 /nfs/dbraw/zinc/03/29/56/1194032956.db2.gz XJOZGAQGCOPPOU-ROUUACIJSA-N 2 1 387.528 0.381 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419448534 1194036169 /nfs/dbraw/zinc/03/61/69/1194036169.db2.gz IYZBWDGMKOJBAH-SQNIBIBYSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419446034 1194036274 /nfs/dbraw/zinc/03/62/74/1194036274.db2.gz FOZQLGCCYAHJGH-AOCRQIFASA-N 2 1 387.528 0.699 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419448410 1194036564 /nfs/dbraw/zinc/03/65/64/1194036564.db2.gz IMBHAZMWDFKECH-IEBWSBKVSA-N 2 1 387.528 0.524 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419449993 1194036847 /nfs/dbraw/zinc/03/68/47/1194036847.db2.gz KZHMECJTTZFBDM-QGZVFWFLSA-N 2 1 375.517 0.381 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419452404 1194037810 /nfs/dbraw/zinc/03/78/10/1194037810.db2.gz PIMXXZTVTFWGCC-MSOLQXFVSA-N 2 1 389.544 0.947 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503423 1194046584 /nfs/dbraw/zinc/04/65/84/1194046584.db2.gz HMBCQSIJSWKZHD-ROUUACIJSA-N 2 1 387.528 0.381 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000501064265 1194046881 /nfs/dbraw/zinc/04/68/81/1194046881.db2.gz PLZBACTYJAPIJC-SFHVURJKSA-N 2 1 375.517 0.623 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505648 1194047945 /nfs/dbraw/zinc/04/79/45/1194047945.db2.gz MEEIEYMJUWUDAP-IAGOWNOFSA-N 2 1 375.517 0.285 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000419508177 1194048522 /nfs/dbraw/zinc/04/85/22/1194048522.db2.gz QNZCBUDXKPGHBC-MRXNPFEDSA-N 2 1 392.500 0.080 20 0 GCADMP COc1ccc(COC[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000501053090 1194048930 /nfs/dbraw/zinc/04/89/30/1194048930.db2.gz MSBDXIHELQXJMQ-IBGZPJMESA-N 2 1 394.512 0.732 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511614 1194050966 /nfs/dbraw/zinc/05/09/66/1194050966.db2.gz VZQVVRMINDLWTR-OTWHNJEPSA-N 2 1 399.539 0.666 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000419515290 1194051640 /nfs/dbraw/zinc/05/16/40/1194051640.db2.gz RCDUEFMVZGICAM-ZACQAIPSSA-N 2 1 392.500 0.806 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000419557794 1194054268 /nfs/dbraw/zinc/05/42/68/1194054268.db2.gz LQXBSCUMBPOMMT-GOEBONIOSA-N 2 1 382.530 0.599 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419535502 1194055236 /nfs/dbraw/zinc/05/52/36/1194055236.db2.gz LFKBIBDJIVNROP-UHOSZYNNSA-N 2 1 390.528 0.926 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000419536405 1194055284 /nfs/dbraw/zinc/05/52/84/1194055284.db2.gz MFCZXYKGWWDNPB-ZWKOTPCHSA-N 2 1 376.501 0.762 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419549406 1194057356 /nfs/dbraw/zinc/05/73/56/1194057356.db2.gz VQBVIVAPXWXBTB-OTWHNJEPSA-N 2 1 388.512 0.490 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419549306 1194057525 /nfs/dbraw/zinc/05/75/25/1194057525.db2.gz VLFCHEUAGNZLCW-AEFFLSMTSA-N 2 1 376.501 0.633 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419596023 1194067881 /nfs/dbraw/zinc/06/78/81/1194067881.db2.gz XKMWBJGADKRYNQ-KURKYZTESA-N 2 1 380.533 0.722 20 0 GCADMP COc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)ccc1OCC[NH+](C)C ZINC000419691786 1194086314 /nfs/dbraw/zinc/08/63/14/1194086314.db2.gz FZQZLLDDOKMFBJ-OAHLLOKOSA-N 2 1 378.473 0.785 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000419717117 1194091786 /nfs/dbraw/zinc/09/17/86/1194091786.db2.gz AMICZTRCYTZWRL-QGZVFWFLSA-N 2 1 380.439 0.899 20 0 GCADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419721169 1194092841 /nfs/dbraw/zinc/09/28/41/1194092841.db2.gz JFASKQSXBXTOBI-HNNXBMFYSA-N 2 1 380.439 0.914 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000419738633 1194099871 /nfs/dbraw/zinc/09/98/71/1194099871.db2.gz VBCDTEGGCJLBPR-UHFFFAOYSA-N 2 1 389.544 0.554 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419764203 1194101684 /nfs/dbraw/zinc/10/16/84/1194101684.db2.gz VURHRHAISDDDRJ-BBRMVZONSA-N 2 1 380.464 0.603 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769817 1194102301 /nfs/dbraw/zinc/10/23/01/1194102301.db2.gz WDQJGFFFPCSUJQ-MOPGFXCFSA-N 2 1 388.512 0.508 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419768627 1194102308 /nfs/dbraw/zinc/10/23/08/1194102308.db2.gz CTUMLGVTUUTLHO-CVEARBPZSA-N 2 1 391.520 0.137 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419801025 1194105686 /nfs/dbraw/zinc/10/56/86/1194105686.db2.gz IYMPMFGISVYOPJ-HDICACEKSA-N 2 1 393.576 0.781 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419802819 1194106729 /nfs/dbraw/zinc/10/67/29/1194106729.db2.gz AWRLUSPUKYYZMG-SFHVURJKSA-N 2 1 395.592 0.805 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]2C[NH3+])C[C@@H](C)O1 ZINC000419805942 1194107528 /nfs/dbraw/zinc/10/75/28/1194107528.db2.gz FDSYPTFPTQRKGF-MDZRGWNJSA-N 2 1 388.512 0.862 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419819035 1194109222 /nfs/dbraw/zinc/10/92/22/1194109222.db2.gz LQOXUHZJNYWNAI-HZPDHXFCSA-N 2 1 376.501 0.638 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419809973 1194112126 /nfs/dbraw/zinc/11/21/26/1194112126.db2.gz GSVPUFLQTIVVFV-MDZRGWNJSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810430 1194112701 /nfs/dbraw/zinc/11/27/01/1194112701.db2.gz HCDYAUSFWZMEAJ-OAGGEKHMSA-N 2 1 376.501 0.718 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810430 1194112706 /nfs/dbraw/zinc/11/27/06/1194112706.db2.gz HCDYAUSFWZMEAJ-OAGGEKHMSA-N 2 1 376.501 0.718 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419829211 1194115541 /nfs/dbraw/zinc/11/55/41/1194115541.db2.gz SMVOLNHYLNSVAS-IYBDPMFKSA-N 2 1 376.501 0.638 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419829211 1194115546 /nfs/dbraw/zinc/11/55/46/1194115546.db2.gz SMVOLNHYLNSVAS-IYBDPMFKSA-N 2 1 376.501 0.638 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000419846175 1194120278 /nfs/dbraw/zinc/12/02/78/1194120278.db2.gz PDRRHKZQFVULGE-CALCHBBNSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419856549 1194123014 /nfs/dbraw/zinc/12/30/14/1194123014.db2.gz JBZKNKHIAKEUOA-JZXOWHBKSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000419861056 1194123932 /nfs/dbraw/zinc/12/39/32/1194123932.db2.gz DBTYTRMXGWTEAS-MSOLQXFVSA-N 2 1 387.528 0.129 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000419861056 1194123935 /nfs/dbraw/zinc/12/39/35/1194123935.db2.gz DBTYTRMXGWTEAS-MSOLQXFVSA-N 2 1 387.528 0.129 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419874519 1194129581 /nfs/dbraw/zinc/12/95/81/1194129581.db2.gz ZUEUGJOLNSCQLH-ZIFCJYIRSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419884533 1194132830 /nfs/dbraw/zinc/13/28/30/1194132830.db2.gz OBNSWDGVWOWNJH-GOSISDBHSA-N 2 1 393.576 0.511 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419896714 1194135827 /nfs/dbraw/zinc/13/58/27/1194135827.db2.gz QCJJGUHEBYEGOS-HZPDHXFCSA-N 2 1 378.542 0.939 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419904105 1194137289 /nfs/dbraw/zinc/13/72/89/1194137289.db2.gz PJKZIGRBIFAYFP-NEWSRXKRSA-N 3 1 393.576 0.650 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000419903028 1194137523 /nfs/dbraw/zinc/13/75/23/1194137523.db2.gz URCRJIBRPFQDAS-RTBURBONSA-N 2 1 388.512 0.811 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419907473 1194140913 /nfs/dbraw/zinc/14/09/13/1194140913.db2.gz GBJUMGXCKAVWED-CALCHBBNSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419964235 1194148513 /nfs/dbraw/zinc/14/85/13/1194148513.db2.gz WZODVKCWBZBCON-NJAFHUGGSA-N 2 1 381.565 0.493 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419972847 1194150388 /nfs/dbraw/zinc/15/03/88/1194150388.db2.gz ZTPNXRCZCGOHEZ-CRAIPNDOSA-N 2 1 380.533 0.722 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419992822 1194154123 /nfs/dbraw/zinc/15/41/23/1194154123.db2.gz IBPRQDONTQMKKE-YLJYHZDGSA-N 2 1 376.501 0.181 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419995097 1194154451 /nfs/dbraw/zinc/15/44/51/1194154451.db2.gz HSAOJBCPZJIZCJ-SCTDSRPQSA-N 2 1 394.560 0.983 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000420000276 1194155618 /nfs/dbraw/zinc/15/56/18/1194155618.db2.gz SXJZYJBZRHNPOZ-BBTUJRGHSA-N 2 1 388.512 0.325 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000420055994 1194163318 /nfs/dbraw/zinc/16/33/18/1194163318.db2.gz LXTNDDNSPCDUJI-UHFFFAOYSA-N 2 1 382.549 0.720 20 0 GCADMP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420046367 1194168219 /nfs/dbraw/zinc/16/82/19/1194168219.db2.gz AAOGJNJDFBJKGB-DLBZAZTESA-N 2 1 381.565 0.636 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000420044797 1194168268 /nfs/dbraw/zinc/16/82/68/1194168268.db2.gz UEUKTPDXDQTJIC-DZGCQCFKSA-N 2 1 377.489 0.430 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420055375 1194171062 /nfs/dbraw/zinc/17/10/62/1194171062.db2.gz GNHYXYKCPDKFCK-DAYGRLMNSA-N 2 1 380.533 0.578 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420084512 1194174297 /nfs/dbraw/zinc/17/42/97/1194174297.db2.gz ABKOXTUYQZTDHU-ROUUACIJSA-N 2 1 393.576 0.780 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000420109875 1194181437 /nfs/dbraw/zinc/18/14/37/1194181437.db2.gz FEGAAMJMSXSXOC-IMBTUZDBSA-N 2 1 394.560 0.839 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC000420096541 1194183666 /nfs/dbraw/zinc/18/36/66/1194183666.db2.gz UZWGNLQLABAMNY-UHFFFAOYSA-N 2 1 379.464 0.958 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC[NH2+]1 ZINC000420136975 1194184855 /nfs/dbraw/zinc/18/48/55/1194184855.db2.gz WPNIVUVAPNGNRA-VXIBKDFQSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000420118066 1194186472 /nfs/dbraw/zinc/18/64/72/1194186472.db2.gz JVHVKQYNYSVPKC-HDICACEKSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420119169 1194187088 /nfs/dbraw/zinc/18/70/88/1194187088.db2.gz NEXKAVFMLUFYCT-HGHGUNKESA-N 2 1 388.512 0.196 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000420142149 1194192373 /nfs/dbraw/zinc/19/23/73/1194192373.db2.gz ZVUSTYJQBBCRNQ-AEFFLSMTSA-N 2 1 388.512 0.986 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000420142149 1194192375 /nfs/dbraw/zinc/19/23/75/1194192375.db2.gz ZVUSTYJQBBCRNQ-AEFFLSMTSA-N 2 1 388.512 0.986 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420140744 1194192467 /nfs/dbraw/zinc/19/24/67/1194192467.db2.gz HASRVJKOWYORLG-SOLBZPMBSA-N 2 1 382.549 0.968 20 0 GCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000420140903 1194192487 /nfs/dbraw/zinc/19/24/87/1194192487.db2.gz QPIKVEJXIYAETD-UHFFFAOYSA-N 2 1 392.422 0.136 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420178965 1194196135 /nfs/dbraw/zinc/19/61/35/1194196135.db2.gz BKOOMHRUCXSPAX-LMMKCTJWSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420178965 1194196138 /nfs/dbraw/zinc/19/61/38/1194196138.db2.gz BKOOMHRUCXSPAX-LMMKCTJWSA-N 2 1 388.512 0.603 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1)CC1CC1 ZINC000420183504 1194197685 /nfs/dbraw/zinc/19/76/85/1194197685.db2.gz HAGHUUULMMXCRE-LJQANCHMSA-N 2 1 394.560 0.842 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420183098 1194197705 /nfs/dbraw/zinc/19/77/05/1194197705.db2.gz LETIATVLJOFSBG-SJORKVTESA-N 2 1 376.501 0.460 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420183098 1194197707 /nfs/dbraw/zinc/19/77/07/1194197707.db2.gz LETIATVLJOFSBG-SJORKVTESA-N 2 1 376.501 0.460 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000420184720 1194198213 /nfs/dbraw/zinc/19/82/13/1194198213.db2.gz BAQYTMTTZRHGLT-ZWKOTPCHSA-N 2 1 382.549 0.827 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000420186101 1194198815 /nfs/dbraw/zinc/19/88/15/1194198815.db2.gz PSYKULHVABOENH-PKOBYXMFSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@@H](C)O1 ZINC000420169348 1194199990 /nfs/dbraw/zinc/19/99/90/1194199990.db2.gz VMKYEMFBZKOXGC-JFIYKMOQSA-N 2 1 378.517 0.513 20 0 GCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170532 1194200045 /nfs/dbraw/zinc/20/00/45/1194200045.db2.gz SDRNCZYCZYXQQS-ZWKOTPCHSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000420174321 1194201009 /nfs/dbraw/zinc/20/10/09/1194201009.db2.gz YMTKWVHLDVKFFW-ZJPYXAASSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420174317 1194201238 /nfs/dbraw/zinc/20/12/38/1194201238.db2.gz YMTKWVHLDVKFFW-MHORFTMASA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420174317 1194201241 /nfs/dbraw/zinc/20/12/41/1194201241.db2.gz YMTKWVHLDVKFFW-MHORFTMASA-N 2 1 394.560 0.981 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420174610 1194201319 /nfs/dbraw/zinc/20/13/19/1194201319.db2.gz UAULAHPMVALDMU-UZLBHIALSA-N 2 1 376.501 0.196 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420202350 1194203595 /nfs/dbraw/zinc/20/35/95/1194203595.db2.gz PCHJKBHZZGFVHG-WMZOPIPTSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420207232 1194205467 /nfs/dbraw/zinc/20/54/67/1194205467.db2.gz TWMBLNAJHBIYHP-BHIYHBOVSA-N 2 1 388.512 0.603 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501595718 1194207850 /nfs/dbraw/zinc/20/78/50/1194207850.db2.gz HEICCQYDWMHLRO-VQIMIIECSA-N 2 1 392.544 0.737 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000501622158 1194209565 /nfs/dbraw/zinc/20/95/65/1194209565.db2.gz IIERKONUVIOOBA-ZHALLVOQSA-N 2 1 394.560 0.983 20 0 GCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624369 1194210108 /nfs/dbraw/zinc/21/01/08/1194210108.db2.gz NSCIUXJPHZHAPA-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501624367 1194210141 /nfs/dbraw/zinc/21/01/41/1194210141.db2.gz NSCIUXJPHZHAPA-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420215461 1194214044 /nfs/dbraw/zinc/21/40/44/1194214044.db2.gz WHFIENRCJDXAIF-QZTJIDSGSA-N 2 1 388.512 0.973 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420215461 1194214048 /nfs/dbraw/zinc/21/40/48/1194214048.db2.gz WHFIENRCJDXAIF-QZTJIDSGSA-N 2 1 388.512 0.973 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501621239 1194215301 /nfs/dbraw/zinc/21/53/01/1194215301.db2.gz GEDAMAZVEJYKQP-WMZOPIPTSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501621239 1194215305 /nfs/dbraw/zinc/21/53/05/1194215305.db2.gz GEDAMAZVEJYKQP-WMZOPIPTSA-N 2 1 380.533 0.402 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501634549 1194216139 /nfs/dbraw/zinc/21/61/39/1194216139.db2.gz DNJMGCNNQCBWMZ-QZTJIDSGSA-N 2 1 394.560 0.794 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1C[C@H](C)O ZINC000501641545 1194217869 /nfs/dbraw/zinc/21/78/69/1194217869.db2.gz PPQQYUWYCIUDHY-YTQUADARSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C[C@H](C)O ZINC000501641545 1194217872 /nfs/dbraw/zinc/21/78/72/1194217872.db2.gz PPQQYUWYCIUDHY-YTQUADARSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C[C@H](C)O ZINC000501641545 1194217877 /nfs/dbraw/zinc/21/78/77/1194217877.db2.gz PPQQYUWYCIUDHY-YTQUADARSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C[C@H](C)O ZINC000501641545 1194217881 /nfs/dbraw/zinc/21/78/81/1194217881.db2.gz PPQQYUWYCIUDHY-YTQUADARSA-N 2 1 394.560 0.671 20 0 GCADMP Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@]2(O)CC[NH+](C)C2)cn1 ZINC000501650563 1194220068 /nfs/dbraw/zinc/22/00/68/1194220068.db2.gz PFTRDVXYEQHLRH-URVUXULASA-N 2 1 397.523 0.819 20 0 GCADMP Cn1cc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@]2(O)CC[N@H+](C)C2)cn1 ZINC000501650563 1194220071 /nfs/dbraw/zinc/22/00/71/1194220071.db2.gz PFTRDVXYEQHLRH-URVUXULASA-N 2 1 397.523 0.819 20 0 GCADMP Cn1cc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)cn1 ZINC000501650563 1194220074 /nfs/dbraw/zinc/22/00/74/1194220074.db2.gz PFTRDVXYEQHLRH-URVUXULASA-N 2 1 397.523 0.819 20 0 GCADMP C[N@@H+](CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C[C@@H](O)C[NH3+] ZINC000420358745 1194223733 /nfs/dbraw/zinc/22/37/33/1194223733.db2.gz UUQHDXOIBKOHAZ-HNNXBMFYSA-N 2 1 384.502 0.051 20 0 GCADMP CS(=O)(=O)N(CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000420375611 1194227006 /nfs/dbraw/zinc/22/70/06/1194227006.db2.gz JBDRUKOKXSMCSH-GOSISDBHSA-N 2 1 392.529 0.836 20 0 GCADMP CS(=O)(=O)N(CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000420375611 1194227010 /nfs/dbraw/zinc/22/70/10/1194227010.db2.gz JBDRUKOKXSMCSH-GOSISDBHSA-N 2 1 392.529 0.836 20 0 GCADMP CS(=O)(=O)N(CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000420375612 1194227155 /nfs/dbraw/zinc/22/71/55/1194227155.db2.gz JBDRUKOKXSMCSH-SFHVURJKSA-N 2 1 392.529 0.836 20 0 GCADMP CS(=O)(=O)N(CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000420375612 1194227160 /nfs/dbraw/zinc/22/71/60/1194227160.db2.gz JBDRUKOKXSMCSH-SFHVURJKSA-N 2 1 392.529 0.836 20 0 GCADMP [NH3+]CC1(O)CC[NH+](CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000420410048 1194229378 /nfs/dbraw/zinc/22/93/78/1194229378.db2.gz ZOCDXAPQVLLKCV-UHFFFAOYSA-N 2 1 375.391 0.986 20 0 GCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123218 1194229674 /nfs/dbraw/zinc/22/96/74/1194229674.db2.gz IOCPRQUURVCGQK-IXDOHACOSA-N 2 1 383.537 0.324 20 0 GCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123218 1194229677 /nfs/dbraw/zinc/22/96/77/1194229677.db2.gz IOCPRQUURVCGQK-IXDOHACOSA-N 2 1 383.537 0.324 20 0 GCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123218 1194229682 /nfs/dbraw/zinc/22/96/82/1194229682.db2.gz IOCPRQUURVCGQK-IXDOHACOSA-N 2 1 383.537 0.324 20 0 GCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123218 1194229687 /nfs/dbraw/zinc/22/96/87/1194229687.db2.gz IOCPRQUURVCGQK-IXDOHACOSA-N 2 1 383.537 0.324 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000501827335 1194232438 /nfs/dbraw/zinc/23/24/38/1194232438.db2.gz KPHWRQWMBIZOOF-FUHIMQAGSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000501827335 1194232442 /nfs/dbraw/zinc/23/24/42/1194232442.db2.gz KPHWRQWMBIZOOF-FUHIMQAGSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C)C1 ZINC000501827335 1194232444 /nfs/dbraw/zinc/23/24/44/1194232444.db2.gz KPHWRQWMBIZOOF-FUHIMQAGSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000421125056 1194296916 /nfs/dbraw/zinc/29/69/16/1194296916.db2.gz GONHZRRHRPTCNV-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000421125056 1194296919 /nfs/dbraw/zinc/29/69/19/1194296919.db2.gz GONHZRRHRPTCNV-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652727395 1194362329 /nfs/dbraw/zinc/36/23/29/1194362329.db2.gz POKIRYIEQKRMMS-FJIDUMEYSA-N 2 1 380.533 0.532 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652727397 1194362887 /nfs/dbraw/zinc/36/28/87/1194362887.db2.gz POKIRYIEQKRMMS-XLAORIBOSA-N 2 1 380.533 0.532 20 0 GCADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000502851570 1194363020 /nfs/dbraw/zinc/36/30/20/1194363020.db2.gz OTXFVLHCLMRIBA-SJORKVTESA-N 2 1 380.533 0.642 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(NS(C)(=O)=O)c1 ZINC000502929935 1194368436 /nfs/dbraw/zinc/36/84/36/1194368436.db2.gz WBWYAHBKVZQFLK-QGZVFWFLSA-N 2 1 397.545 0.941 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000549957452 1194382485 /nfs/dbraw/zinc/38/24/85/1194382485.db2.gz VJCKAUFQPKVYNV-MRXNPFEDSA-N 2 1 380.489 0.568 20 0 GCADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422116776 1194394274 /nfs/dbraw/zinc/39/42/74/1194394274.db2.gz LFIFWUSSUPKTSZ-KRWDZBQOSA-N 2 1 382.549 0.888 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000422123199 1194396400 /nfs/dbraw/zinc/39/64/00/1194396400.db2.gz XPCWBQDPQMZLOP-IBGZPJMESA-N 2 1 393.576 0.558 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272274775 1194445683 /nfs/dbraw/zinc/44/56/83/1194445683.db2.gz BZWNFNPCMOIKTB-YOEHRIQHSA-N 2 1 387.484 0.678 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272274775 1194445686 /nfs/dbraw/zinc/44/56/86/1194445686.db2.gz BZWNFNPCMOIKTB-YOEHRIQHSA-N 2 1 387.484 0.678 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1)C[NH+]1CCOCC1 ZINC000422281799 1194600394 /nfs/dbraw/zinc/60/03/94/1194600394.db2.gz KANBCGGPIWPECT-INIZCTEOSA-N 2 1 396.557 0.723 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422382587 1194630520 /nfs/dbraw/zinc/63/05/20/1194630520.db2.gz UQNFLJCAAIHCDS-UHFFFAOYSA-N 2 1 395.592 0.853 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000422408049 1194639577 /nfs/dbraw/zinc/63/95/77/1194639577.db2.gz ZZYVYTCZNFRUNZ-QGZVFWFLSA-N 2 1 388.516 0.731 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000422408049 1194639581 /nfs/dbraw/zinc/63/95/81/1194639581.db2.gz ZZYVYTCZNFRUNZ-QGZVFWFLSA-N 2 1 388.516 0.731 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497877 1194652495 /nfs/dbraw/zinc/65/24/95/1194652495.db2.gz WLJLGJBNOGBYKQ-MSOLQXFVSA-N 2 1 380.533 0.405 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000422499108 1194652992 /nfs/dbraw/zinc/65/29/92/1194652992.db2.gz YTXNENPQAVYGLD-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490167 1194656542 /nfs/dbraw/zinc/65/65/42/1194656542.db2.gz MKAKOHRXVJFVDB-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)O1 ZINC000414681448 1194687151 /nfs/dbraw/zinc/68/71/51/1194687151.db2.gz PGRUDPIZTCMDBZ-GASCZTMLSA-N 2 1 378.473 0.578 20 0 GCADMP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000414695811 1194701573 /nfs/dbraw/zinc/70/15/73/1194701573.db2.gz FJTPXQWPYJCOKH-HXUWFJFHSA-N 2 1 396.491 0.880 20 0 GCADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1)Cc1ccccc1 ZINC000414704575 1194709063 /nfs/dbraw/zinc/70/90/63/1194709063.db2.gz WERDKJHCTNQQHR-NRFANRHFSA-N 3 1 387.572 0.933 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000422975341 1194714611 /nfs/dbraw/zinc/71/46/11/1194714611.db2.gz SOCYCDZOYQBFRP-WDSOQIARSA-N 2 1 388.512 0.810 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000423049570 1194724768 /nfs/dbraw/zinc/72/47/68/1194724768.db2.gz KGHWUMGNNGYYIL-APWZRJJASA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)cc1 ZINC000423049570 1194724772 /nfs/dbraw/zinc/72/47/72/1194724772.db2.gz KGHWUMGNNGYYIL-APWZRJJASA-N 2 1 388.512 0.925 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423051549 1194725121 /nfs/dbraw/zinc/72/51/21/1194725121.db2.gz OKMWXIWHAJYVKL-GOSISDBHSA-N 2 1 388.512 0.940 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423051549 1194725126 /nfs/dbraw/zinc/72/51/26/1194725126.db2.gz OKMWXIWHAJYVKL-GOSISDBHSA-N 2 1 388.512 0.940 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCCO1 ZINC000423113226 1194730811 /nfs/dbraw/zinc/73/08/11/1194730811.db2.gz KQCABONPSLEYIP-HNNXBMFYSA-N 2 1 380.514 0.011 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423183961 1194734176 /nfs/dbraw/zinc/73/41/76/1194734176.db2.gz HAKPIQBOIUMEHH-XYJFISCASA-N 2 1 380.533 0.545 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423194976 1194738362 /nfs/dbraw/zinc/73/83/62/1194738362.db2.gz ZVQSZMHCDKKAPY-KBPBESRZSA-N 2 1 394.438 0.295 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000423370987 1194750142 /nfs/dbraw/zinc/75/01/42/1194750142.db2.gz ABPNXVCZPPCPOL-INIZCTEOSA-N 2 1 380.533 0.546 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423396777 1194753271 /nfs/dbraw/zinc/75/32/71/1194753271.db2.gz SNPXCMCIRPCGNK-ICSRJNTNSA-N 2 1 399.539 0.477 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423393880 1194753400 /nfs/dbraw/zinc/75/34/00/1194753400.db2.gz RBZJYAXFIIODJK-ZWKOTPCHSA-N 2 1 387.528 0.463 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397506 1194753655 /nfs/dbraw/zinc/75/36/55/1194753655.db2.gz SLZGZQPHPVDVFG-SJORKVTESA-N 2 1 380.533 0.533 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423399018 1194753697 /nfs/dbraw/zinc/75/36/97/1194753697.db2.gz VUMRBPNFWRYZQM-LPHOPBHVSA-N 2 1 392.544 0.689 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423407296 1194754770 /nfs/dbraw/zinc/75/47/70/1194754770.db2.gz ZSPPMGKIWQRZAZ-SFHVURJKSA-N 2 1 387.528 0.477 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423407295 1194754814 /nfs/dbraw/zinc/75/48/14/1194754814.db2.gz ZSPPMGKIWQRZAZ-GOSISDBHSA-N 2 1 387.528 0.477 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423442874 1194755454 /nfs/dbraw/zinc/75/54/54/1194755454.db2.gz KEELHLORFMKPKH-HDICACEKSA-N 2 1 380.533 0.261 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423446986 1194756269 /nfs/dbraw/zinc/75/62/69/1194756269.db2.gz OLPHPIGNCKOAAR-FQEVSTJZSA-N 2 1 382.549 0.781 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503141 1194760189 /nfs/dbraw/zinc/76/01/89/1194760189.db2.gz MPZZXVZCBDBFCP-SOLBZPMBSA-N 2 1 380.533 0.545 20 0 GCADMP [NH3+][C@@H]1CN(C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1c1ccccc1 ZINC000423490372 1194760760 /nfs/dbraw/zinc/76/07/60/1194760760.db2.gz XOWBGSUXWVGCSF-YTQUADARSA-N 2 1 386.496 0.120 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423528518 1194761035 /nfs/dbraw/zinc/76/10/35/1194761035.db2.gz NKDDLLNERRLJBB-RBUKOAKNSA-N 2 1 395.592 0.850 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@@H+]1CCOC ZINC000423528913 1194761086 /nfs/dbraw/zinc/76/10/86/1194761086.db2.gz PBPLPMVWNLLLHR-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@H+]1CCOC ZINC000423528913 1194761089 /nfs/dbraw/zinc/76/10/89/1194761089.db2.gz PBPLPMVWNLLLHR-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423495092 1194761183 /nfs/dbraw/zinc/76/11/83/1194761183.db2.gz BPNWPBHLZIMUFB-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H]([NH2+]C[C@@H]1CNCCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517684 1194762174 /nfs/dbraw/zinc/76/21/74/1194762174.db2.gz OFQDXRKDUWVIHA-WMZOPIPTSA-N 2 1 397.589 0.471 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423535634 1194762558 /nfs/dbraw/zinc/76/25/58/1194762558.db2.gz DVNMZYJMINBGFQ-RYQLBKOJSA-N 2 1 388.512 0.243 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423535634 1194762559 /nfs/dbraw/zinc/76/25/59/1194762559.db2.gz DVNMZYJMINBGFQ-RYQLBKOJSA-N 2 1 388.512 0.243 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000423559403 1194764106 /nfs/dbraw/zinc/76/41/06/1194764106.db2.gz DTXABFXRXBZRAH-LEWJYISDSA-N 2 1 388.512 0.279 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000423575775 1194769259 /nfs/dbraw/zinc/76/92/59/1194769259.db2.gz WTVNPDQAIOAWMO-PLMTUMEDSA-N 2 1 388.512 0.278 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423595014 1194774663 /nfs/dbraw/zinc/77/46/63/1194774663.db2.gz OXAADTYIQHHNSC-LJQANCHMSA-N 2 1 387.528 0.477 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[C@H](C[NH3+])C1 ZINC000423628637 1194775519 /nfs/dbraw/zinc/77/55/19/1194775519.db2.gz AOJAIDOSNJXPAD-JKSUJKDBSA-N 2 1 380.489 0.525 20 0 GCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423641137 1194776970 /nfs/dbraw/zinc/77/69/70/1194776970.db2.gz HEJGRMATMOXVOZ-BBWFWOEESA-N 2 1 396.532 0.053 20 0 GCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423641137 1194776972 /nfs/dbraw/zinc/77/69/72/1194776972.db2.gz HEJGRMATMOXVOZ-BBWFWOEESA-N 2 1 396.532 0.053 20 0 GCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423625335 1194778735 /nfs/dbraw/zinc/77/87/35/1194778735.db2.gz QZQXHBAPKBNLGC-CQSZACIVSA-N 2 1 394.438 0.439 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423649270 1194779046 /nfs/dbraw/zinc/77/90/46/1194779046.db2.gz HAWWDZWPQGRTDD-RBUKOAKNSA-N 2 1 389.544 0.282 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)CC[NH+](C)C ZINC000423649270 1194779047 /nfs/dbraw/zinc/77/90/47/1194779047.db2.gz HAWWDZWPQGRTDD-RBUKOAKNSA-N 2 1 389.544 0.282 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423657175 1194780433 /nfs/dbraw/zinc/78/04/33/1194780433.db2.gz VOOSRINULMWEHA-MSOLQXFVSA-N 2 1 387.528 0.463 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423659218 1194780768 /nfs/dbraw/zinc/78/07/68/1194780768.db2.gz ZAHGXUYYCLIJSU-MMOPVJDHSA-N 2 1 388.512 0.278 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423659220 1194780772 /nfs/dbraw/zinc/78/07/72/1194780772.db2.gz ZAHGXUYYCLIJSU-PLMTUMEDSA-N 2 1 388.512 0.278 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423701157 1194783786 /nfs/dbraw/zinc/78/37/86/1194783786.db2.gz WAWAONLOUVARNC-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000423701283 1194783855 /nfs/dbraw/zinc/78/38/55/1194783855.db2.gz VHZLSLXWUHEFJW-SFHVURJKSA-N 2 1 388.512 0.968 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000423719057 1194788319 /nfs/dbraw/zinc/78/83/19/1194788319.db2.gz BRVBNVXGOAHYPD-RBUKOAKNSA-N 2 1 395.592 0.709 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)CC[NH+](C)C ZINC000423719057 1194788321 /nfs/dbraw/zinc/78/83/21/1194788321.db2.gz BRVBNVXGOAHYPD-RBUKOAKNSA-N 2 1 395.592 0.709 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000423719052 1194788536 /nfs/dbraw/zinc/78/85/36/1194788536.db2.gz BRVBNVXGOAHYPD-MOPGFXCFSA-N 2 1 395.592 0.709 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)CC[NH+](C)C ZINC000423719052 1194788538 /nfs/dbraw/zinc/78/85/38/1194788538.db2.gz BRVBNVXGOAHYPD-MOPGFXCFSA-N 2 1 395.592 0.709 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C[C@H]1[NH3+] ZINC000423737496 1194792666 /nfs/dbraw/zinc/79/26/66/1194792666.db2.gz GHKBZLDPESULTL-YZGWKJHDSA-N 2 1 399.539 0.211 20 0 GCADMP C[NH+](C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1=O ZINC000473559024 1194796948 /nfs/dbraw/zinc/79/69/48/1194796948.db2.gz CYXFGDGVIFCJKK-SLFFLAALSA-N 2 1 384.524 0.987 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)S(C)(=O)=O ZINC000424292125 1194807342 /nfs/dbraw/zinc/80/73/42/1194807342.db2.gz OCHIUOFQUVDAFY-MRXNPFEDSA-N 2 1 388.578 0.627 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000424446008 1194812378 /nfs/dbraw/zinc/81/23/78/1194812378.db2.gz GPSLSNYKYMQEJU-OAHLLOKOSA-N 2 1 375.473 0.096 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000424461242 1194813393 /nfs/dbraw/zinc/81/33/93/1194813393.db2.gz CULDBGFIRFQCSR-UHFFFAOYSA-N 2 1 375.517 0.877 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000424461242 1194813394 /nfs/dbraw/zinc/81/33/94/1194813394.db2.gz CULDBGFIRFQCSR-UHFFFAOYSA-N 2 1 375.517 0.877 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000424454848 1194815126 /nfs/dbraw/zinc/81/51/26/1194815126.db2.gz MIXVBVBDFNQJFP-QGZVFWFLSA-N 2 1 387.484 0.157 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491518 1194816540 /nfs/dbraw/zinc/81/65/40/1194816540.db2.gz DSFNXJSDAHTZEX-QGZVFWFLSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491518 1194816542 /nfs/dbraw/zinc/81/65/42/1194816542.db2.gz DSFNXJSDAHTZEX-QGZVFWFLSA-N 2 1 393.576 0.461 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCO1 ZINC000424494845 1194817209 /nfs/dbraw/zinc/81/72/09/1194817209.db2.gz OLNNWYKTMHPOBG-GBESFXJTSA-N 2 1 386.496 0.296 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000424494408 1194817579 /nfs/dbraw/zinc/81/75/79/1194817579.db2.gz NHBHXXNIFQAMBE-UHFFFAOYSA-N 2 1 390.528 0.933 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000424500583 1194818420 /nfs/dbraw/zinc/81/84/20/1194818420.db2.gz CVVSYWAYIIENFG-AYOQOUSVSA-N 2 1 398.511 0.310 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)CC[NH2+]CC2 ZINC000424536885 1194819971 /nfs/dbraw/zinc/81/99/71/1194819971.db2.gz BCHGMYYZCANKGQ-MRXNPFEDSA-N 2 1 379.549 0.119 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424518240 1194821423 /nfs/dbraw/zinc/82/14/23/1194821423.db2.gz HOKWXSWDBYTMJA-ROUUACIJSA-N 2 1 393.576 0.367 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424519642 1194821443 /nfs/dbraw/zinc/82/14/43/1194821443.db2.gz JWSUDNXWWHOXEI-SFHVURJKSA-N 2 1 393.576 0.511 20 0 GCADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647938722 1194839535 /nfs/dbraw/zinc/83/95/35/1194839535.db2.gz SPUFXQKJUFWFEJ-YSVLISHTSA-N 2 1 382.530 0.440 20 0 GCADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1[NH3+] ZINC000647938722 1194839538 /nfs/dbraw/zinc/83/95/38/1194839538.db2.gz SPUFXQKJUFWFEJ-YSVLISHTSA-N 2 1 382.530 0.440 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434450580 1194845470 /nfs/dbraw/zinc/84/54/70/1194845470.db2.gz QRLDVHWOQOORHS-RTBURBONSA-N 2 1 392.544 0.833 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434450580 1194845472 /nfs/dbraw/zinc/84/54/72/1194845472.db2.gz QRLDVHWOQOORHS-RTBURBONSA-N 2 1 392.544 0.833 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664447096 1194869174 /nfs/dbraw/zinc/86/91/74/1194869174.db2.gz IOBILWFAJNISQB-QRVBRYPASA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664447096 1194869178 /nfs/dbraw/zinc/86/91/78/1194869178.db2.gz IOBILWFAJNISQB-QRVBRYPASA-N 2 1 380.533 0.870 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)C[C@H]3CSCC[NH2+]3)cc2)CC1 ZINC000434860545 1194874950 /nfs/dbraw/zinc/87/49/50/1194874950.db2.gz HDUZBUQQPOMGBR-KRWDZBQOSA-N 2 1 376.526 0.786 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693987 1194895154 /nfs/dbraw/zinc/89/51/54/1194895154.db2.gz UKWTYYLCXXIZMC-IEBWSBKVSA-N 2 1 391.560 0.380 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000514791539 1194909614 /nfs/dbraw/zinc/90/96/14/1194909614.db2.gz SBUYIBKQLVDQBE-IEBWSBKVSA-N 2 1 394.560 0.935 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000514780379 1194910814 /nfs/dbraw/zinc/91/08/14/1194910814.db2.gz SMRNYSUORCUSQL-RBUKOAKNSA-N 2 1 391.560 0.310 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3CC[N@H+]4CCCC[C@H]4C3)C2)CC1 ZINC000514780379 1194910816 /nfs/dbraw/zinc/91/08/16/1194910816.db2.gz SMRNYSUORCUSQL-RBUKOAKNSA-N 2 1 391.560 0.310 20 0 GCADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322874 1194914775 /nfs/dbraw/zinc/91/47/75/1194914775.db2.gz UFOXHKSJZQUHSU-JKSUJKDBSA-N 2 1 377.489 0.049 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322874 1194914777 /nfs/dbraw/zinc/91/47/77/1194914777.db2.gz UFOXHKSJZQUHSU-JKSUJKDBSA-N 2 1 377.489 0.049 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000514886529 1194925394 /nfs/dbraw/zinc/92/53/94/1194925394.db2.gz DRNJGTDGXNMSLG-ZAWLATJESA-N 2 1 391.560 0.070 20 0 GCADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000435387511 1194926431 /nfs/dbraw/zinc/92/64/31/1194926431.db2.gz ALQUPSFWSBOUHJ-QGZVFWFLSA-N 2 1 377.485 0.974 20 0 GCADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000435387511 1194926434 /nfs/dbraw/zinc/92/64/34/1194926434.db2.gz ALQUPSFWSBOUHJ-QGZVFWFLSA-N 2 1 377.485 0.974 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435377349 1194926916 /nfs/dbraw/zinc/92/69/16/1194926916.db2.gz APBNBAVCEVGKHI-GOSISDBHSA-N 2 1 388.512 0.879 20 0 GCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425381260 1194933019 /nfs/dbraw/zinc/93/30/19/1194933019.db2.gz FSEGBILRUMKQJC-DLBZAZTESA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@@H]1C ZINC000425381260 1194933021 /nfs/dbraw/zinc/93/30/21/1194933021.db2.gz FSEGBILRUMKQJC-DLBZAZTESA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425381267 1194933050 /nfs/dbraw/zinc/93/30/50/1194933050.db2.gz FSEGBILRUMKQJC-SJORKVTESA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C[C@H]1C ZINC000425381267 1194933051 /nfs/dbraw/zinc/93/30/51/1194933051.db2.gz FSEGBILRUMKQJC-SJORKVTESA-N 2 1 382.549 0.887 20 0 GCADMP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000425387785 1194935847 /nfs/dbraw/zinc/93/58/47/1194935847.db2.gz NTCFSSVTQJSBMJ-UJWQCDCRSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@@H](C)O1 ZINC000425387785 1194935849 /nfs/dbraw/zinc/93/58/49/1194935849.db2.gz NTCFSSVTQJSBMJ-UJWQCDCRSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387792 1194935992 /nfs/dbraw/zinc/93/59/92/1194935992.db2.gz NTCFSSVTQJSBMJ-ZWJWXYIHSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387792 1194935995 /nfs/dbraw/zinc/93/59/95/1194935995.db2.gz NTCFSSVTQJSBMJ-ZWJWXYIHSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387792 1194935997 /nfs/dbraw/zinc/93/59/97/1194935997.db2.gz NTCFSSVTQJSBMJ-ZWJWXYIHSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C[C@H](C)O1 ZINC000425387792 1194936000 /nfs/dbraw/zinc/93/60/00/1194936000.db2.gz NTCFSSVTQJSBMJ-ZWJWXYIHSA-N 2 1 392.544 0.639 20 0 GCADMP COc1cc(C[NH+]2CC[C@@H](CO)[C@@H](O)C2)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988571 1194937696 /nfs/dbraw/zinc/93/76/96/1194937696.db2.gz BFUITVAIQWISEN-GHSBBIOCSA-N 2 1 394.512 0.045 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000514988571 1194937698 /nfs/dbraw/zinc/93/76/98/1194937698.db2.gz BFUITVAIQWISEN-GHSBBIOCSA-N 2 1 394.512 0.045 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000514988571 1194937701 /nfs/dbraw/zinc/93/77/01/1194937701.db2.gz BFUITVAIQWISEN-GHSBBIOCSA-N 2 1 394.512 0.045 20 0 GCADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Cc1ccccc1 ZINC000515047767 1194943786 /nfs/dbraw/zinc/94/37/86/1194943786.db2.gz SEJZYHDRNLCLCH-LJQANCHMSA-N 2 1 387.528 0.972 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CC1 ZINC000515391414 1194971064 /nfs/dbraw/zinc/97/10/64/1194971064.db2.gz PCIUYSXREPCUDW-QZTJIDSGSA-N 2 1 393.576 0.604 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000515474431 1194977357 /nfs/dbraw/zinc/97/73/57/1194977357.db2.gz SDIHKBPQVHACAW-SFHVURJKSA-N 2 1 382.549 0.938 20 0 GCADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436060564 1194982949 /nfs/dbraw/zinc/98/29/49/1194982949.db2.gz RDITWXBNTLVAAY-CQSZACIVSA-N 2 1 384.502 0.032 20 0 GCADMP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062703 1194983471 /nfs/dbraw/zinc/98/34/71/1194983471.db2.gz JMUHSRBTJGPORP-INIZCTEOSA-N 2 1 394.491 0.982 20 0 GCADMP CN(CCOc1ccccc1F)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062703 1194983472 /nfs/dbraw/zinc/98/34/72/1194983472.db2.gz JMUHSRBTJGPORP-INIZCTEOSA-N 2 1 394.491 0.982 20 0 GCADMP COCc1cccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436053695 1194983979 /nfs/dbraw/zinc/98/39/79/1194983979.db2.gz GDNVVMSNZJGDPV-SFHVURJKSA-N 2 1 376.501 0.769 20 0 GCADMP COCc1cccc(CNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436053695 1194983980 /nfs/dbraw/zinc/98/39/80/1194983980.db2.gz GDNVVMSNZJGDPV-SFHVURJKSA-N 2 1 376.501 0.769 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCC(=O)NC(=O)NCc1ccccc1 ZINC000436066621 1194983992 /nfs/dbraw/zinc/98/39/92/1194983992.db2.gz ZMJITXTXNFNTOC-QGZVFWFLSA-N 2 1 389.500 0.722 20 0 GCADMP C[C@H]1CN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000436142549 1194987290 /nfs/dbraw/zinc/98/72/90/1194987290.db2.gz FKAYTOGPCXRDCM-INIZCTEOSA-N 2 1 397.564 0.416 20 0 GCADMP Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)CC2)nc(C)[nH+]1 ZINC000515673319 1194990342 /nfs/dbraw/zinc/99/03/42/1194990342.db2.gz UXGQLEZIUOWBGM-CVEARBPZSA-N 2 1 387.488 0.016 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000505773974 1194990653 /nfs/dbraw/zinc/99/06/53/1194990653.db2.gz ULVIBRRBCCXSCS-MRXNPFEDSA-N 2 1 395.548 0.972 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000414883669 1195002836 /nfs/dbraw/zinc/00/28/36/1195002836.db2.gz NVOKUNAFCSOBJM-ZDUSSCGKSA-N 2 1 388.390 0.940 20 0 GCADMP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000286477201 1195004133 /nfs/dbraw/zinc/00/41/33/1195004133.db2.gz LGLLSELBLOUXOQ-SFHVURJKSA-N 2 1 389.544 0.723 20 0 GCADMP CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000516207895 1195033099 /nfs/dbraw/zinc/03/30/99/1195033099.db2.gz AFSKHVULIPJREH-OAHLLOKOSA-N 2 1 395.529 0.834 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000516206916 1195033271 /nfs/dbraw/zinc/03/32/71/1195033271.db2.gz GLJVHARGNHCCOK-UHFFFAOYSA-N 2 1 386.456 0.637 20 0 GCADMP C[C@H](C(=O)N(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)n1cccn1 ZINC000516207602 1195033305 /nfs/dbraw/zinc/03/33/05/1195033305.db2.gz BTRQOMRYIGAZST-OAHLLOKOSA-N 2 1 385.472 0.688 20 0 GCADMP C[C@@H](C(=O)N(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)n1cccn1 ZINC000516207601 1195033425 /nfs/dbraw/zinc/03/34/25/1195033425.db2.gz BTRQOMRYIGAZST-HNNXBMFYSA-N 2 1 385.472 0.688 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000516558912 1195066861 /nfs/dbraw/zinc/06/68/61/1195066861.db2.gz FZNHRUXBPANXLQ-LZLYRXPVSA-N 2 1 380.533 0.687 20 0 GCADMP Cc1ncsc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CCO)CCO ZINC001270175469 1195073820 /nfs/dbraw/zinc/07/38/20/1195073820.db2.gz GCEFJBXSZUGWRE-MQVJKMGUSA-N 2 1 382.530 0.350 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000437130381 1195074913 /nfs/dbraw/zinc/07/49/13/1195074913.db2.gz YRVRORHEBZTTFS-ROUUACIJSA-N 2 1 380.533 0.500 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000437130381 1195074916 /nfs/dbraw/zinc/07/49/16/1195074916.db2.gz YRVRORHEBZTTFS-ROUUACIJSA-N 2 1 380.533 0.500 20 0 GCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)C2)C1 ZINC000652734245 1195078218 /nfs/dbraw/zinc/07/82/18/1195078218.db2.gz BSIAFYADOUJSAD-CLWJZODNSA-N 2 1 378.517 0.286 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CN1CCOCC1 ZINC000516882019 1195108852 /nfs/dbraw/zinc/10/88/52/1195108852.db2.gz LYXYJAUIWZACKO-CEXWTWQISA-N 2 1 396.576 0.945 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000516882019 1195108855 /nfs/dbraw/zinc/10/88/55/1195108855.db2.gz LYXYJAUIWZACKO-CEXWTWQISA-N 2 1 396.576 0.945 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000516882019 1195108857 /nfs/dbraw/zinc/10/88/57/1195108857.db2.gz LYXYJAUIWZACKO-CEXWTWQISA-N 2 1 396.576 0.945 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C[NH+]1CCOCC1 ZINC000516882024 1195108923 /nfs/dbraw/zinc/10/89/23/1195108923.db2.gz LYXYJAUIWZACKO-GUDVDZBRSA-N 2 1 396.576 0.945 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000516976237 1195119421 /nfs/dbraw/zinc/11/94/21/1195119421.db2.gz AXKPJWARCHYGCZ-SOLBZPMBSA-N 2 1 380.533 0.674 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000516976237 1195119422 /nfs/dbraw/zinc/11/94/22/1195119422.db2.gz AXKPJWARCHYGCZ-SOLBZPMBSA-N 2 1 380.533 0.674 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCN(C(C)(C)C(N)=O)CC3)CC2)CC1 ZINC000516980283 1195120021 /nfs/dbraw/zinc/12/00/21/1195120021.db2.gz XOFUGAXGXSJLHZ-UHFFFAOYSA-N 2 1 393.576 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1=CC[N@H+](C)CC1 ZINC000517043977 1195128594 /nfs/dbraw/zinc/12/85/94/1195128594.db2.gz FCJHRBGQIALBHI-QGZVFWFLSA-N 2 1 392.544 0.904 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000517043977 1195128597 /nfs/dbraw/zinc/12/85/97/1195128597.db2.gz FCJHRBGQIALBHI-QGZVFWFLSA-N 2 1 392.544 0.904 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000425863443 1195140935 /nfs/dbraw/zinc/14/09/35/1195140935.db2.gz LXGNUKZANCERSY-UHFFFAOYSA-N 2 1 390.528 0.934 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186885 1195151043 /nfs/dbraw/zinc/15/10/43/1195151043.db2.gz KSBWTIPNROVLJM-QYZOEREBSA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186885 1195151054 /nfs/dbraw/zinc/15/10/54/1195151054.db2.gz KSBWTIPNROVLJM-QYZOEREBSA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186885 1195151055 /nfs/dbraw/zinc/15/10/55/1195151055.db2.gz KSBWTIPNROVLJM-QYZOEREBSA-N 2 1 393.576 0.317 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425886502 1195152768 /nfs/dbraw/zinc/15/27/68/1195152768.db2.gz MPJJIVCTZVUTSL-SLFFLAALSA-N 2 1 399.539 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425886502 1195152769 /nfs/dbraw/zinc/15/27/69/1195152769.db2.gz MPJJIVCTZVUTSL-SLFFLAALSA-N 2 1 399.539 0.081 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1 ZINC000517395885 1195178649 /nfs/dbraw/zinc/17/86/49/1195178649.db2.gz UCMNRMUIXFLEOX-VQTJNVASSA-N 2 1 399.539 0.273 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000517539494 1195189090 /nfs/dbraw/zinc/18/90/90/1195189090.db2.gz HGENZKHLQDHOLL-ZWKOTPCHSA-N 2 1 377.558 0.807 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000517539494 1195189092 /nfs/dbraw/zinc/18/90/92/1195189092.db2.gz HGENZKHLQDHOLL-ZWKOTPCHSA-N 2 1 377.558 0.807 20 0 GCADMP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000517567658 1195193952 /nfs/dbraw/zinc/19/39/52/1195193952.db2.gz YUYQDGLVUBYTIZ-CQSZACIVSA-N 2 1 376.457 0.223 20 0 GCADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000517567658 1195193954 /nfs/dbraw/zinc/19/39/54/1195193954.db2.gz YUYQDGLVUBYTIZ-CQSZACIVSA-N 2 1 376.457 0.223 20 0 GCADMP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000517567657 1195194034 /nfs/dbraw/zinc/19/40/34/1195194034.db2.gz YUYQDGLVUBYTIZ-AWEZNQCLSA-N 2 1 376.457 0.223 20 0 GCADMP COC(=O)c1ccccc1N(C)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000517567657 1195194036 /nfs/dbraw/zinc/19/40/36/1195194036.db2.gz YUYQDGLVUBYTIZ-AWEZNQCLSA-N 2 1 376.457 0.223 20 0 GCADMP CN1CCN(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)[C@@H](C[NH3+])C1 ZINC000517719632 1195209773 /nfs/dbraw/zinc/20/97/73/1195209773.db2.gz GJUAGZSUHSRPNM-SFHVURJKSA-N 2 1 394.951 0.746 20 0 GCADMP CN(C(=O)c1cnc2cccnn12)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000517748130 1195213879 /nfs/dbraw/zinc/21/38/79/1195213879.db2.gz DENZHISPOQPICF-UHFFFAOYSA-N 2 1 399.499 0.040 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866906 1195226202 /nfs/dbraw/zinc/22/62/02/1195226202.db2.gz FILMLTIOWDMXSC-MSOLQXFVSA-N 2 1 397.564 0.620 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866906 1195226203 /nfs/dbraw/zinc/22/62/03/1195226203.db2.gz FILMLTIOWDMXSC-MSOLQXFVSA-N 2 1 397.564 0.620 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CSCC(=O)N2CCOCC2)CC1 ZINC000517930923 1195229670 /nfs/dbraw/zinc/22/96/70/1195229670.db2.gz AGGOLBVLLJDCND-UHFFFAOYSA-N 2 1 393.513 0.364 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000518016838 1195238746 /nfs/dbraw/zinc/23/87/46/1195238746.db2.gz UOFYBQCTKYLION-CEXWTWQISA-N 2 1 381.565 0.907 20 0 GCADMP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000414975453 1195277472 /nfs/dbraw/zinc/27/74/72/1195277472.db2.gz LRCLHQMGKPLTNT-RHSMWYFYSA-N 2 1 387.484 0.410 20 0 GCADMP C[C@@H](c1ccc(NC(=O)NCC(=O)N2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000518339441 1195281961 /nfs/dbraw/zinc/28/19/61/1195281961.db2.gz NBTYSTWMQRZUHB-HNNXBMFYSA-N 2 1 375.473 0.633 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1)N1CCOCC1 ZINC000518406040 1195288716 /nfs/dbraw/zinc/28/87/16/1195288716.db2.gz PQTWHDFZRBYPFW-IBGZPJMESA-N 2 1 394.560 0.794 20 0 GCADMP C[C@H](CO)[NH+](Cc1cc(C[N@H+](C[C@H](C)O)[C@H](C)CO)ccc1F)C[C@H](C)O ZINC000295969329 1195294461 /nfs/dbraw/zinc/29/44/61/1195294461.db2.gz KDAAHJWHXWNVKP-NCOADZHNSA-N 2 1 386.508 0.953 20 0 GCADMP C[C@H](CO)[NH+](Cc1ccc(F)c(C[N@H+](C[C@H](C)O)[C@H](C)CO)c1)C[C@H](C)O ZINC000295969329 1195294466 /nfs/dbraw/zinc/29/44/66/1195294466.db2.gz KDAAHJWHXWNVKP-NCOADZHNSA-N 2 1 386.508 0.953 20 0 GCADMP C[C@H](CO)[NH+](Cc1ccc(F)c(C[N@@H+](C[C@H](C)O)[C@H](C)CO)c1)C[C@H](C)O ZINC000295969329 1195294467 /nfs/dbraw/zinc/29/44/67/1195294467.db2.gz KDAAHJWHXWNVKP-NCOADZHNSA-N 2 1 386.508 0.953 20 0 GCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000439215895 1195297788 /nfs/dbraw/zinc/29/77/88/1195297788.db2.gz NGORTQUFRSZRCW-UHFFFAOYSA-N 2 1 375.473 0.679 20 0 GCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccccc2F)CC1 ZINC000518542133 1195301354 /nfs/dbraw/zinc/30/13/54/1195301354.db2.gz KSJJIPYYKARVKT-QGZVFWFLSA-N 2 1 375.492 0.454 20 0 GCADMP CC(C)(O)CN1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000550016270 1195314991 /nfs/dbraw/zinc/31/49/91/1195314991.db2.gz PLFQLHZNKNHASE-SFHVURJKSA-N 2 1 388.512 0.292 20 0 GCADMP C[NH+]1CCC[C@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434373 1195334761 /nfs/dbraw/zinc/33/47/61/1195334761.db2.gz YEYOOPHIGMTGQN-SJORKVTESA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@@H]1CNC(=O)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434373 1195334766 /nfs/dbraw/zinc/33/47/66/1195334766.db2.gz YEYOOPHIGMTGQN-SJORKVTESA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@@H]1CNC(=O)CC1(C(=O)NC[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434373 1195334772 /nfs/dbraw/zinc/33/47/72/1195334772.db2.gz YEYOOPHIGMTGQN-SJORKVTESA-N 2 1 380.533 0.594 20 0 GCADMP O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000518947278 1195351090 /nfs/dbraw/zinc/35/10/90/1195351090.db2.gz WUJMDHOZSNFKGQ-OAHLLOKOSA-N 2 1 381.498 0.764 20 0 GCADMP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)[NH+](C)C)c1 ZINC000550029560 1195408286 /nfs/dbraw/zinc/40/82/86/1195408286.db2.gz RFWMZZRDYVQELJ-MAUKXSAKSA-N 2 1 376.501 0.967 20 0 GCADMP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000550030328 1195415196 /nfs/dbraw/zinc/41/51/96/1195415196.db2.gz GDVKRIVZHMHJOS-LJQANCHMSA-N 2 1 399.539 0.273 20 0 GCADMP Cc1cn(CC(=O)NCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC2CC2)c(=O)[nH]c1=O ZINC001167970855 1195432330 /nfs/dbraw/zinc/43/23/30/1195432330.db2.gz OSANUYZRHWXJND-ALOPSCKCSA-N 2 1 389.500 0.369 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000550094584 1195433540 /nfs/dbraw/zinc/43/35/40/1195433540.db2.gz CJOHUHYITFDZKH-KRWDZBQOSA-N 2 1 391.516 0.351 20 0 GCADMP CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000550094584 1195433543 /nfs/dbraw/zinc/43/35/43/1195433543.db2.gz CJOHUHYITFDZKH-KRWDZBQOSA-N 2 1 391.516 0.351 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)COCC(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000110997908 1195434300 /nfs/dbraw/zinc/43/43/00/1195434300.db2.gz FFVBEBCKTHNQFN-HDICACEKSA-N 2 1 382.549 0.984 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000110997908 1195434302 /nfs/dbraw/zinc/43/43/02/1195434302.db2.gz FFVBEBCKTHNQFN-HDICACEKSA-N 2 1 382.549 0.984 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)COCC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000110997908 1195434305 /nfs/dbraw/zinc/43/43/05/1195434305.db2.gz FFVBEBCKTHNQFN-HDICACEKSA-N 2 1 382.549 0.984 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550096826 1195435434 /nfs/dbraw/zinc/43/54/34/1195435434.db2.gz LPKKOCQETDGRMH-KZNAEPCWSA-N 2 1 398.548 0.075 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550096827 1195435640 /nfs/dbraw/zinc/43/56/40/1195435640.db2.gz LPKKOCQETDGRMH-OKZBNKHCSA-N 2 1 398.548 0.075 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000550099459 1195437109 /nfs/dbraw/zinc/43/71/09/1195437109.db2.gz USYGONWMSDZLDC-SFHVURJKSA-N 2 1 382.549 0.698 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000550135899 1195446520 /nfs/dbraw/zinc/44/65/20/1195446520.db2.gz UUXHANVGNTVJRZ-KRWDZBQOSA-N 2 1 395.548 0.036 20 0 GCADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)CC[N@H+](C2CC2)C1 ZINC000655557012 1195464381 /nfs/dbraw/zinc/46/43/81/1195464381.db2.gz ATLWMNBHXWWJNO-ZWKOTPCHSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557012 1195464385 /nfs/dbraw/zinc/46/43/85/1195464385.db2.gz ATLWMNBHXWWJNO-ZWKOTPCHSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC[NH+](C2CC2)C1 ZINC000655557012 1195464388 /nfs/dbraw/zinc/46/43/88/1195464388.db2.gz ATLWMNBHXWWJNO-ZWKOTPCHSA-N 2 1 379.549 0.519 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519593359 1195501907 /nfs/dbraw/zinc/50/19/07/1195501907.db2.gz UUZMQRRNPCSZJA-WMZOPIPTSA-N 2 1 377.533 0.857 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000507408164 1195517727 /nfs/dbraw/zinc/51/77/27/1195517727.db2.gz YMIBZILZWCHIOE-UHFFFAOYSA-N 2 1 394.491 0.711 20 0 GCADMP COC(CNC(=O)[C@@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427467851 1195542945 /nfs/dbraw/zinc/54/29/45/1195542945.db2.gz XAZIKTWYMNDFBS-ROUUACIJSA-N 2 1 378.517 0.487 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614257 1195543219 /nfs/dbraw/zinc/54/32/19/1195543219.db2.gz YBTMPRNLPOKBOI-GNBUJSLZSA-N 2 1 392.544 0.674 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000519634869 1195560971 /nfs/dbraw/zinc/56/09/71/1195560971.db2.gz CEJRCFYEDSAQSS-KURKYZTESA-N 2 1 390.528 0.347 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000519704550 1195563955 /nfs/dbraw/zinc/56/39/55/1195563955.db2.gz DXMRXOHGCRNAKT-DLBZAZTESA-N 2 1 380.533 0.452 20 0 GCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000519718872 1195565933 /nfs/dbraw/zinc/56/59/33/1195565933.db2.gz CXAKBGRLYRSKOB-UHFFFAOYSA-N 2 1 380.533 0.548 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707428 1195566366 /nfs/dbraw/zinc/56/63/66/1195566366.db2.gz AHZDJTBEOCGWEM-KGLIPLIRSA-N 2 1 378.473 0.776 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707428 1195566370 /nfs/dbraw/zinc/56/63/70/1195566370.db2.gz AHZDJTBEOCGWEM-KGLIPLIRSA-N 2 1 378.473 0.776 20 0 GCADMP Cn1cc([C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CCN2C(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000544318710 1195601315 /nfs/dbraw/zinc/60/13/15/1195601315.db2.gz HZJHCMMZHXWKEM-KZNAEPCWSA-N 2 1 388.516 0.320 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)[C@H]3CCC[NH+]3C)CCN2C(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000544318709 1195601362 /nfs/dbraw/zinc/60/13/62/1195601362.db2.gz HZJHCMMZHXWKEM-KURKYZTESA-N 2 1 388.516 0.320 20 0 GCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000520187267 1195606283 /nfs/dbraw/zinc/60/62/83/1195606283.db2.gz VVMDPWYOBWBBLW-QGZVFWFLSA-N 2 1 396.576 0.869 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000520187267 1195606284 /nfs/dbraw/zinc/60/62/84/1195606284.db2.gz VVMDPWYOBWBBLW-QGZVFWFLSA-N 2 1 396.576 0.869 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000520187267 1195606285 /nfs/dbraw/zinc/60/62/85/1195606285.db2.gz VVMDPWYOBWBBLW-QGZVFWFLSA-N 2 1 396.576 0.869 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000520187267 1195606286 /nfs/dbraw/zinc/60/62/86/1195606286.db2.gz VVMDPWYOBWBBLW-QGZVFWFLSA-N 2 1 396.576 0.869 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000520335132 1195622100 /nfs/dbraw/zinc/62/21/00/1195622100.db2.gz DYPXYVLFBIXQCB-CEXWTWQISA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000520335132 1195622103 /nfs/dbraw/zinc/62/21/03/1195622103.db2.gz DYPXYVLFBIXQCB-CEXWTWQISA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520335222 1195622119 /nfs/dbraw/zinc/62/21/19/1195622119.db2.gz JVJDCUVJCIBWCR-ZWKOTPCHSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520335222 1195622122 /nfs/dbraw/zinc/62/21/22/1195622122.db2.gz JVJDCUVJCIBWCR-ZWKOTPCHSA-N 2 1 380.533 0.548 20 0 GCADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)C ZINC000550352798 1195640528 /nfs/dbraw/zinc/64/05/28/1195640528.db2.gz OOCDFLKABSNUKU-UHFFFAOYSA-N 2 1 383.581 0.706 20 0 GCADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(C)C ZINC000550352798 1195640532 /nfs/dbraw/zinc/64/05/32/1195640532.db2.gz OOCDFLKABSNUKU-UHFFFAOYSA-N 2 1 383.581 0.706 20 0 GCADMP C[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000550372776 1195646465 /nfs/dbraw/zinc/64/64/65/1195646465.db2.gz PCUOYDBZXCUKLJ-UHFFFAOYSA-N 2 1 394.438 0.310 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000550367681 1195646813 /nfs/dbraw/zinc/64/68/13/1195646813.db2.gz HQGMEFKEMVVSKU-SZMVWBNQSA-N 2 1 388.512 0.967 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000550367681 1195646815 /nfs/dbraw/zinc/64/68/15/1195646815.db2.gz HQGMEFKEMVVSKU-SZMVWBNQSA-N 2 1 388.512 0.967 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000550380857 1195648560 /nfs/dbraw/zinc/64/85/60/1195648560.db2.gz BJZVTUJMMLBMOD-ZWKOTPCHSA-N 2 1 397.608 0.857 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000331047534 1195718097 /nfs/dbraw/zinc/71/80/97/1195718097.db2.gz IYXSOHTUDNQWCN-GOSISDBHSA-N 2 1 394.541 0.675 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000331047535 1195718325 /nfs/dbraw/zinc/71/83/25/1195718325.db2.gz IYXSOHTUDNQWCN-SFHVURJKSA-N 2 1 394.541 0.675 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520447352 1195730941 /nfs/dbraw/zinc/73/09/41/1195730941.db2.gz DENLSXRNUPCJSZ-IEBWSBKVSA-N 2 1 390.528 0.802 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520447352 1195730944 /nfs/dbraw/zinc/73/09/44/1195730944.db2.gz DENLSXRNUPCJSZ-IEBWSBKVSA-N 2 1 390.528 0.802 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000536356032 1195744913 /nfs/dbraw/zinc/74/49/13/1195744913.db2.gz QTVDYFHVINKMPS-GUDVDZBRSA-N 2 1 375.517 0.167 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000536356032 1195744916 /nfs/dbraw/zinc/74/49/16/1195744916.db2.gz QTVDYFHVINKMPS-GUDVDZBRSA-N 2 1 375.517 0.167 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550410587 1195747479 /nfs/dbraw/zinc/74/74/79/1195747479.db2.gz XKOUDYUUJVVZNC-XYJFISCASA-N 2 1 380.533 0.687 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729496638 1195749511 /nfs/dbraw/zinc/74/95/11/1195749511.db2.gz JZEVJMRPUAPATJ-WOJBJXKFSA-N 2 1 387.528 0.971 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729496638 1195749512 /nfs/dbraw/zinc/74/95/12/1195749512.db2.gz JZEVJMRPUAPATJ-WOJBJXKFSA-N 2 1 387.528 0.971 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000550413786 1195754879 /nfs/dbraw/zinc/75/48/79/1195754879.db2.gz ZDFNURAEIHCNAC-MJGOQNOKSA-N 2 1 390.528 0.360 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551493 1195784722 /nfs/dbraw/zinc/78/47/22/1195784722.db2.gz DHGKSMCZAFMCAD-SJORKVTESA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551493 1195784726 /nfs/dbraw/zinc/78/47/26/1195784726.db2.gz DHGKSMCZAFMCAD-SJORKVTESA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551493 1195784730 /nfs/dbraw/zinc/78/47/30/1195784730.db2.gz DHGKSMCZAFMCAD-SJORKVTESA-N 2 1 383.537 0.230 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000520617761 1195802660 /nfs/dbraw/zinc/80/26/60/1195802660.db2.gz AVKKNIRFPTUTSX-UHFFFAOYSA-N 2 1 386.504 0.883 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000520654943 1195814468 /nfs/dbraw/zinc/81/44/68/1195814468.db2.gz RMKBSXOXBBBNCJ-LZLYRXPVSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000520654943 1195814477 /nfs/dbraw/zinc/81/44/77/1195814477.db2.gz RMKBSXOXBBBNCJ-LZLYRXPVSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654943 1195814481 /nfs/dbraw/zinc/81/44/81/1195814481.db2.gz RMKBSXOXBBBNCJ-LZLYRXPVSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654943 1195814485 /nfs/dbraw/zinc/81/44/85/1195814485.db2.gz RMKBSXOXBBBNCJ-LZLYRXPVSA-N 2 1 380.533 0.687 20 0 GCADMP CC1(C)C[N@H+](C2(CNC(=O)C(=O)NCCn3ccnc3)CCCCC2)CCO1 ZINC000550428814 1195817205 /nfs/dbraw/zinc/81/72/05/1195817205.db2.gz KBWNFSSJKLXUHL-UHFFFAOYSA-N 2 1 391.516 0.929 20 0 GCADMP Cc1cccc(N2CCC(NC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)CC2)[nH+]1 ZINC000417708484 1195820418 /nfs/dbraw/zinc/82/04/18/1195820418.db2.gz YYHNXVMLWJGHQA-INIZCTEOSA-N 2 1 388.516 0.855 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000520747493 1195843553 /nfs/dbraw/zinc/84/35/53/1195843553.db2.gz XQVBGOMCGMOFKB-LJQANCHMSA-N 2 1 389.544 0.955 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000520747493 1195843556 /nfs/dbraw/zinc/84/35/56/1195843556.db2.gz XQVBGOMCGMOFKB-LJQANCHMSA-N 2 1 389.544 0.955 20 0 GCADMP C[C@@H]1CCC[NH+](CCNC(=O)COCC(=O)NCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000129611276 1195851620 /nfs/dbraw/zinc/85/16/20/1195851620.db2.gz OOUSVMLGHDXHGO-HDICACEKSA-N 2 1 382.549 0.699 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)COCC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000129611276 1195851623 /nfs/dbraw/zinc/85/16/23/1195851623.db2.gz OOUSVMLGHDXHGO-HDICACEKSA-N 2 1 382.549 0.699 20 0 GCADMP C[C@@H]1CCC[N@H+](CCNC(=O)COCC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000129611276 1195851624 /nfs/dbraw/zinc/85/16/24/1195851624.db2.gz OOUSVMLGHDXHGO-HDICACEKSA-N 2 1 382.549 0.699 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771809 1195852312 /nfs/dbraw/zinc/85/23/12/1195852312.db2.gz BSONHHSLKYSYML-MOPGFXCFSA-N 2 1 385.512 0.821 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1)N1CCOCC1 ZINC000428031136 1195906025 /nfs/dbraw/zinc/90/60/25/1195906025.db2.gz JXTVBOLTZVJJQD-VQIMIIECSA-N 2 1 395.525 0.770 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1)N1CCOCC1 ZINC000428031136 1195906026 /nfs/dbraw/zinc/90/60/26/1195906026.db2.gz JXTVBOLTZVJJQD-VQIMIIECSA-N 2 1 395.525 0.770 20 0 GCADMP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474027807 1195933340 /nfs/dbraw/zinc/93/33/40/1195933340.db2.gz AESCSUPTULZNRQ-QGZVFWFLSA-N 2 1 396.580 0.289 20 0 GCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474027807 1195933342 /nfs/dbraw/zinc/93/33/42/1195933342.db2.gz AESCSUPTULZNRQ-QGZVFWFLSA-N 2 1 396.580 0.289 20 0 GCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474027807 1195933346 /nfs/dbraw/zinc/93/33/46/1195933346.db2.gz AESCSUPTULZNRQ-QGZVFWFLSA-N 2 1 396.580 0.289 20 0 GCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000441983620 1195938573 /nfs/dbraw/zinc/93/85/73/1195938573.db2.gz ZJGSOVASYRAUDX-INIZCTEOSA-N 2 1 387.484 0.868 20 0 GCADMP COc1cc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc(Cl)c1OCC(N)=O ZINC000520960265 1195942377 /nfs/dbraw/zinc/94/23/77/1195942377.db2.gz WSTXXDHHXWSERV-UHFFFAOYSA-N 2 1 398.891 0.466 20 0 GCADMP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989980 1195947841 /nfs/dbraw/zinc/94/78/41/1195947841.db2.gz LQMHDJGEBCDRKQ-FUHWJXTLSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989980 1195947845 /nfs/dbraw/zinc/94/78/45/1195947845.db2.gz LQMHDJGEBCDRKQ-FUHWJXTLSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989980 1195947847 /nfs/dbraw/zinc/94/78/47/1195947847.db2.gz LQMHDJGEBCDRKQ-FUHWJXTLSA-N 2 1 392.544 0.377 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000521036011 1195955632 /nfs/dbraw/zinc/95/56/32/1195955632.db2.gz JEJPIWFXMLSWDD-GJZGRUSLSA-N 2 1 379.530 0.021 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000550455602 1195964575 /nfs/dbraw/zinc/96/45/75/1195964575.db2.gz ASXGPYGAANSZHI-KSZLIROESA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000550455602 1195964576 /nfs/dbraw/zinc/96/45/76/1195964576.db2.gz ASXGPYGAANSZHI-KSZLIROESA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000550455602 1195964579 /nfs/dbraw/zinc/96/45/79/1195964579.db2.gz ASXGPYGAANSZHI-KSZLIROESA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455719 1195966080 /nfs/dbraw/zinc/96/60/80/1195966080.db2.gz CFQKZGANIGAMBG-ROUUACIJSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550455719 1195966082 /nfs/dbraw/zinc/96/60/82/1195966082.db2.gz CFQKZGANIGAMBG-ROUUACIJSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550455719 1195966083 /nfs/dbraw/zinc/96/60/83/1195966083.db2.gz CFQKZGANIGAMBG-ROUUACIJSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)([NH3+])c1noc(CN2C(=O)N[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)n1 ZINC000521432173 1195996208 /nfs/dbraw/zinc/99/62/08/1195996208.db2.gz QNOMBRHQIVYTQL-LJQANCHMSA-N 2 1 384.440 0.960 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761046 1196001356 /nfs/dbraw/zinc/00/13/56/1196001356.db2.gz OTOSBVNFKUUPRK-JKSUJKDBSA-N 2 1 383.514 0.755 20 0 GCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642179 1196008068 /nfs/dbraw/zinc/00/80/68/1196008068.db2.gz XIXKRFBCDONWPG-FCHUYYIVSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000521642179 1196008069 /nfs/dbraw/zinc/00/80/69/1196008069.db2.gz XIXKRFBCDONWPG-FCHUYYIVSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000521642179 1196008070 /nfs/dbraw/zinc/00/80/70/1196008070.db2.gz XIXKRFBCDONWPG-FCHUYYIVSA-N 2 1 390.572 0.818 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061372 1196017739 /nfs/dbraw/zinc/01/77/39/1196017739.db2.gz RJTHDRDIEDXEID-ZBFHGGJFSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC000521964150 1196027930 /nfs/dbraw/zinc/02/79/30/1196027930.db2.gz VMAPISAYYIDPHI-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000522014942 1196034208 /nfs/dbraw/zinc/03/42/08/1196034208.db2.gz RSPHNEXLOGGOED-OWYHZJEWSA-N 2 1 385.512 0.850 20 0 GCADMP Cn1c(=O)c(C(=O)C[NH+]2CCC(CC[NH3+])CC2)c(N)n(Cc2ccccc2)c1=O ZINC000522008173 1196035391 /nfs/dbraw/zinc/03/53/91/1196035391.db2.gz OHYDZUXHZHIZKS-UHFFFAOYSA-N 2 1 399.495 0.421 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000522035980 1196038235 /nfs/dbraw/zinc/03/82/35/1196038235.db2.gz ILATXBHUWYTKIQ-MRXNPFEDSA-N 2 1 392.544 0.689 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000550490038 1196056032 /nfs/dbraw/zinc/05/60/32/1196056032.db2.gz UWIUURGWBFUHNO-UHFFFAOYSA-N 2 1 395.592 0.709 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CC1 ZINC000550490038 1196056035 /nfs/dbraw/zinc/05/60/35/1196056035.db2.gz UWIUURGWBFUHNO-UHFFFAOYSA-N 2 1 395.592 0.709 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000550518600 1196072838 /nfs/dbraw/zinc/07/28/38/1196072838.db2.gz HIMLTRPXMUQAOG-UHFFFAOYSA-N 2 1 379.549 0.215 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000550533042 1196078966 /nfs/dbraw/zinc/07/89/66/1196078966.db2.gz GYKWWKZGKDMXSI-UHFFFAOYSA-N 2 1 390.528 0.982 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C(C)C ZINC000550533042 1196078969 /nfs/dbraw/zinc/07/89/69/1196078969.db2.gz GYKWWKZGKDMXSI-UHFFFAOYSA-N 2 1 390.528 0.982 20 0 GCADMP C[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)(N2CCOCC2)CC1 ZINC000895333952 1196083220 /nfs/dbraw/zinc/08/32/20/1196083220.db2.gz MJPBEJOLPWSGFM-QZTJIDSGSA-N 2 1 379.549 0.661 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@H]1C ZINC000487437594 1196085565 /nfs/dbraw/zinc/08/55/65/1196085565.db2.gz YFXYTWWDBHGEHS-AKHDSKFASA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487437594 1196085567 /nfs/dbraw/zinc/08/55/67/1196085567.db2.gz YFXYTWWDBHGEHS-AKHDSKFASA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487437594 1196085568 /nfs/dbraw/zinc/08/55/68/1196085568.db2.gz YFXYTWWDBHGEHS-AKHDSKFASA-N 2 1 396.576 0.752 20 0 GCADMP O=C(NC1CC[NH+](C2CCCC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000550562624 1196086424 /nfs/dbraw/zinc/08/64/24/1196086424.db2.gz AAAVSQFMJZVDAU-QGZVFWFLSA-N 2 1 392.544 0.690 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550574896 1196090988 /nfs/dbraw/zinc/09/09/88/1196090988.db2.gz JMHHBWYXRLGDMA-YESZJQIVSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550574896 1196090991 /nfs/dbraw/zinc/09/09/91/1196090991.db2.gz JMHHBWYXRLGDMA-YESZJQIVSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000550574896 1196090995 /nfs/dbraw/zinc/09/09/95/1196090995.db2.gz JMHHBWYXRLGDMA-YESZJQIVSA-N 2 1 382.549 0.839 20 0 GCADMP Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262228170 1196091542 /nfs/dbraw/zinc/09/15/42/1196091542.db2.gz VCMQCMHWDAOCCV-SFHVURJKSA-N 2 1 388.512 0.728 20 0 GCADMP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000550580013 1196092707 /nfs/dbraw/zinc/09/27/07/1196092707.db2.gz CBKGUHOPSZGQQT-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000550580013 1196092710 /nfs/dbraw/zinc/09/27/10/1196092710.db2.gz CBKGUHOPSZGQQT-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000550580013 1196092712 /nfs/dbraw/zinc/09/27/12/1196092712.db2.gz CBKGUHOPSZGQQT-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580014 1196092751 /nfs/dbraw/zinc/09/27/51/1196092751.db2.gz CBKGUHOPSZGQQT-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580014 1196092752 /nfs/dbraw/zinc/09/27/52/1196092752.db2.gz CBKGUHOPSZGQQT-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580014 1196092754 /nfs/dbraw/zinc/09/27/54/1196092754.db2.gz CBKGUHOPSZGQQT-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580014 1196092756 /nfs/dbraw/zinc/09/27/56/1196092756.db2.gz CBKGUHOPSZGQQT-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580014 1196092757 /nfs/dbraw/zinc/09/27/57/1196092757.db2.gz CBKGUHOPSZGQQT-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1Cc1ccccc1 ZINC000653425887 1196110442 /nfs/dbraw/zinc/11/04/42/1196110442.db2.gz GELUEBFDXFUMDP-AHRSYUTCSA-N 2 1 384.524 0.971 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000895739758 1196110478 /nfs/dbraw/zinc/11/04/78/1196110478.db2.gz JAKURJGWCNLSQU-NMWPEEMBSA-N 2 1 378.525 0.939 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@H]2C)n1 ZINC000895739758 1196110480 /nfs/dbraw/zinc/11/04/80/1196110480.db2.gz JAKURJGWCNLSQU-NMWPEEMBSA-N 2 1 378.525 0.939 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@H]2C)n1 ZINC000895739758 1196110482 /nfs/dbraw/zinc/11/04/82/1196110482.db2.gz JAKURJGWCNLSQU-NMWPEEMBSA-N 2 1 378.525 0.939 20 0 GCADMP COc1c[nH+]ccc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000474410325 1196115558 /nfs/dbraw/zinc/11/55/58/1196115558.db2.gz MTDHRKBPLTVDON-MRXNPFEDSA-N 2 1 390.488 0.262 20 0 GCADMP C[N@H+]1C[C@@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)[C@H](c2ccccc2)C1 ZINC000895968392 1196120286 /nfs/dbraw/zinc/12/02/86/1196120286.db2.gz MNEMQZQNZNDSKD-QYZOEREBSA-N 2 1 387.528 0.971 20 0 GCADMP C[NH+]1C[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H](c2ccccc2)C1 ZINC000895968392 1196120288 /nfs/dbraw/zinc/12/02/88/1196120288.db2.gz MNEMQZQNZNDSKD-QYZOEREBSA-N 2 1 387.528 0.971 20 0 GCADMP C[NH+]1C[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@H](c2ccccc2)C1 ZINC000895968392 1196120290 /nfs/dbraw/zinc/12/02/90/1196120290.db2.gz MNEMQZQNZNDSKD-QYZOEREBSA-N 2 1 387.528 0.971 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000102675260 1196151748 /nfs/dbraw/zinc/15/17/48/1196151748.db2.gz INYNLVXRSGUVAJ-AWEZNQCLSA-N 2 1 382.530 0.927 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000102675260 1196151752 /nfs/dbraw/zinc/15/17/52/1196151752.db2.gz INYNLVXRSGUVAJ-AWEZNQCLSA-N 2 1 382.530 0.927 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153912 /nfs/dbraw/zinc/15/39/12/1196153912.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153914 /nfs/dbraw/zinc/15/39/14/1196153914.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)[C@@H](c2cnn(C)c2)C1 ZINC000896532874 1196153918 /nfs/dbraw/zinc/15/39/18/1196153918.db2.gz NBGGMGMRUHQUHP-MTFMMBMASA-N 2 1 390.576 0.985 20 0 GCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000329187391 1196174027 /nfs/dbraw/zinc/17/40/27/1196174027.db2.gz GUKAHCHOYJMMFR-IEWDOMPSSA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C[C@H](O)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000329187391 1196174030 /nfs/dbraw/zinc/17/40/30/1196174030.db2.gz GUKAHCHOYJMMFR-IEWDOMPSSA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C[C@H](O)CC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000329187391 1196174032 /nfs/dbraw/zinc/17/40/32/1196174032.db2.gz GUKAHCHOYJMMFR-IEWDOMPSSA-N 2 1 392.544 0.518 20 0 GCADMP C[NH+]1CC[C@]2(CCN(C(=O)COCC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C2)C1 ZINC000329234801 1196178995 /nfs/dbraw/zinc/17/89/95/1196178995.db2.gz MYNWQLVSRHZWFH-PMACEKPBSA-N 2 1 378.517 0.111 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329238688 1196179053 /nfs/dbraw/zinc/17/90/53/1196179053.db2.gz LIXGMRHSVLYJNE-PKOBYXMFSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@@H](C)C[N@H+]1CCO ZINC000665461503 1196187563 /nfs/dbraw/zinc/18/75/63/1196187563.db2.gz PAIMYLHQBNVFFA-SJORKVTESA-N 2 1 382.549 0.974 20 0 GCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329359405 1196188891 /nfs/dbraw/zinc/18/88/91/1196188891.db2.gz BVRMXNOGJZUAPU-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329359405 1196188893 /nfs/dbraw/zinc/18/88/93/1196188893.db2.gz BVRMXNOGJZUAPU-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329358042 1196188930 /nfs/dbraw/zinc/18/89/30/1196188930.db2.gz GCIOEQQHKCVMTD-GUDVDZBRSA-N 2 1 392.544 0.785 20 0 GCADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329452203 1196197480 /nfs/dbraw/zinc/19/74/80/1196197480.db2.gz LUCPWBLDKVFOMC-CEXWTWQISA-N 2 1 392.544 0.785 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC000329461375 1196198507 /nfs/dbraw/zinc/19/85/07/1196198507.db2.gz SQAHGEBIQMUTQR-SQNIBIBYSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@H]2C1 ZINC000329461375 1196198510 /nfs/dbraw/zinc/19/85/10/1196198510.db2.gz SQAHGEBIQMUTQR-SQNIBIBYSA-N 2 1 378.517 0.252 20 0 GCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011299 1196216751 /nfs/dbraw/zinc/21/67/51/1196216751.db2.gz HPUFFCAVRVFJMM-YSTOQKLRSA-N 2 1 389.544 0.999 20 0 GCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011299 1196216754 /nfs/dbraw/zinc/21/67/54/1196216754.db2.gz HPUFFCAVRVFJMM-YSTOQKLRSA-N 2 1 389.544 0.999 20 0 GCADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011299 1196216756 /nfs/dbraw/zinc/21/67/56/1196216756.db2.gz HPUFFCAVRVFJMM-YSTOQKLRSA-N 2 1 389.544 0.999 20 0 GCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088011299 1196216758 /nfs/dbraw/zinc/21/67/58/1196216758.db2.gz HPUFFCAVRVFJMM-YSTOQKLRSA-N 2 1 389.544 0.999 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)N1CCOCC1 ZINC000330346825 1196296136 /nfs/dbraw/zinc/29/61/36/1196296136.db2.gz HBAYSLXNUVONOO-UHFFFAOYSA-N 2 1 388.578 0.692 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000985055368 1196336174 /nfs/dbraw/zinc/33/61/74/1196336174.db2.gz CXDJUZWGWYMHOM-BZZMCLGOSA-N 2 1 380.533 0.686 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC000985055368 1196336177 /nfs/dbraw/zinc/33/61/77/1196336177.db2.gz CXDJUZWGWYMHOM-BZZMCLGOSA-N 2 1 380.533 0.686 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000985055368 1196336180 /nfs/dbraw/zinc/33/61/80/1196336180.db2.gz CXDJUZWGWYMHOM-BZZMCLGOSA-N 2 1 380.533 0.686 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+](C)C1CCC1 ZINC000985055368 1196336185 /nfs/dbraw/zinc/33/61/85/1196336185.db2.gz CXDJUZWGWYMHOM-BZZMCLGOSA-N 2 1 380.533 0.686 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC1(C)C ZINC000281962725 1196353122 /nfs/dbraw/zinc/35/31/22/1196353122.db2.gz LMFYYMKSPUZKFU-UHFFFAOYSA-N 2 1 384.484 0.953 20 0 GCADMP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000444167407 1196354669 /nfs/dbraw/zinc/35/46/69/1196354669.db2.gz MTCJYOYBJSQOKK-KXBFYZLASA-N 2 1 392.504 0.128 20 0 GCADMP CNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115833 1196367030 /nfs/dbraw/zinc/36/70/30/1196367030.db2.gz PRJCRGRNFSEODT-WCIQWLHISA-N 2 1 384.524 0.858 20 0 GCADMP CNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3c3ccccc3)C[C@@H]2C1 ZINC001088115833 1196367036 /nfs/dbraw/zinc/36/70/36/1196367036.db2.gz PRJCRGRNFSEODT-WCIQWLHISA-N 2 1 384.524 0.858 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000522974438 1196372180 /nfs/dbraw/zinc/37/21/80/1196372180.db2.gz NBBOGVWPKGYSKY-KRWDZBQOSA-N 2 1 395.548 0.518 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccco1 ZINC000103297802 1196374610 /nfs/dbraw/zinc/37/46/10/1196374610.db2.gz CBNUTQBXIQLTOC-MRXNPFEDSA-N 2 1 377.489 0.832 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000103601909 1196376629 /nfs/dbraw/zinc/37/66/29/1196376629.db2.gz KCYQVDNFBSPISZ-UHFFFAOYSA-N 2 1 396.580 0.208 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000475125216 1196382034 /nfs/dbraw/zinc/38/20/34/1196382034.db2.gz PBFHYIVJLBCEPP-MRXNPFEDSA-N 2 1 381.521 0.080 20 0 GCADMP CCN(CCOCCNC(=O)[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1C ZINC000665594323 1196385021 /nfs/dbraw/zinc/38/50/21/1196385021.db2.gz YEYYSYBQABDWRD-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CCN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000665594323 1196385024 /nfs/dbraw/zinc/38/50/24/1196385024.db2.gz YEYYSYBQABDWRD-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CCN(CCOCCNC(=O)[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000665594323 1196385029 /nfs/dbraw/zinc/38/50/29/1196385029.db2.gz YEYYSYBQABDWRD-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000665762474 1196461440 /nfs/dbraw/zinc/46/14/40/1196461440.db2.gz FSIFUYVWYBEWQV-SZMVWBNQSA-N 2 1 380.537 0.409 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000665762474 1196461442 /nfs/dbraw/zinc/46/14/42/1196461442.db2.gz FSIFUYVWYBEWQV-SZMVWBNQSA-N 2 1 380.537 0.409 20 0 GCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000523120517 1196489567 /nfs/dbraw/zinc/48/95/67/1196489567.db2.gz RFEOADBOCPLAOK-MRXNPFEDSA-N 2 1 375.473 0.143 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208164 1196502515 /nfs/dbraw/zinc/50/25/15/1196502515.db2.gz NWIOXLDSCWFYHA-QZTJIDSGSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208164 1196502519 /nfs/dbraw/zinc/50/25/19/1196502519.db2.gz NWIOXLDSCWFYHA-QZTJIDSGSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208166 1196502601 /nfs/dbraw/zinc/50/26/01/1196502601.db2.gz NWIOXLDSCWFYHA-ZWKOTPCHSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCOCC1 ZINC000523208166 1196502603 /nfs/dbraw/zinc/50/26/03/1196502603.db2.gz NWIOXLDSCWFYHA-ZWKOTPCHSA-N 2 1 397.564 0.585 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N(C)C ZINC000523452321 1196524561 /nfs/dbraw/zinc/52/45/61/1196524561.db2.gz JPHDCPUBTVUXCA-DLBZAZTESA-N 2 1 391.516 0.937 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[NH+](C)C ZINC000523452321 1196524564 /nfs/dbraw/zinc/52/45/64/1196524564.db2.gz JPHDCPUBTVUXCA-DLBZAZTESA-N 2 1 391.516 0.937 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419718 1196594304 /nfs/dbraw/zinc/59/43/04/1196594304.db2.gz YSFHNYOBZDMLGH-OALUTQOASA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000524419718 1196594306 /nfs/dbraw/zinc/59/43/06/1196594306.db2.gz YSFHNYOBZDMLGH-OALUTQOASA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000524419718 1196594309 /nfs/dbraw/zinc/59/43/09/1196594309.db2.gz YSFHNYOBZDMLGH-OALUTQOASA-N 2 1 387.528 0.997 20 0 GCADMP C[C@@]1(CO)C[C@@H](O)CN1CC(=O)Nc1cccc(CN2CCSCC2)c1 ZINC000639852173 1196614731 /nfs/dbraw/zinc/61/47/31/1196614731.db2.gz DOPQIIVJCOHOPJ-MJGOQNOKSA-N 2 1 379.526 0.992 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000524904768 1196636211 /nfs/dbraw/zinc/63/62/11/1196636211.db2.gz BQPNCQHEEVXJAA-UHFFFAOYSA-N 2 1 397.564 0.465 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000524904768 1196636215 /nfs/dbraw/zinc/63/62/15/1196636215.db2.gz BQPNCQHEEVXJAA-UHFFFAOYSA-N 2 1 397.564 0.465 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000446365047 1196637896 /nfs/dbraw/zinc/63/78/96/1196637896.db2.gz YQNBNRNPYNQKLK-ZFCANOHDSA-N 2 1 380.533 0.578 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCCO1 ZINC000418110593 1196653473 /nfs/dbraw/zinc/65/34/73/1196653473.db2.gz FKCJOKHHPLVUKW-CABCVRRESA-N 2 1 395.470 0.623 20 0 GCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000525838336 1196715959 /nfs/dbraw/zinc/71/59/59/1196715959.db2.gz XNRFBTPSWJUBBM-HNNXBMFYSA-N 2 1 389.500 0.973 20 0 GCADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000525838337 1196716338 /nfs/dbraw/zinc/71/63/38/1196716338.db2.gz XNRFBTPSWJUBBM-OAHLLOKOSA-N 2 1 389.500 0.973 20 0 GCADMP C[C@H]([NH2+][C@H](CO)[C@H]1CCCO1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447900881 1196759855 /nfs/dbraw/zinc/75/98/55/1196759855.db2.gz FHCRRHDTJFJIEG-PWIZWCRZSA-N 2 1 391.512 0.653 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418114465 1196776446 /nfs/dbraw/zinc/77/64/46/1196776446.db2.gz LXHOCZSSCRQUTO-SCTDSRPQSA-N 2 1 377.533 0.949 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000527329901 1196779950 /nfs/dbraw/zinc/77/99/50/1196779950.db2.gz SBVFGOJBGKAVKS-AWEZNQCLSA-N 2 1 375.473 0.583 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000527329901 1196779953 /nfs/dbraw/zinc/77/99/53/1196779953.db2.gz SBVFGOJBGKAVKS-AWEZNQCLSA-N 2 1 375.473 0.583 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](CO)[C@H](CO)C2)CC1 ZINC000528607380 1196872064 /nfs/dbraw/zinc/87/20/64/1196872064.db2.gz OPHSKHIXXSJSJR-PMACEKPBSA-N 2 1 375.513 0.562 20 0 GCADMP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000529294831 1196911225 /nfs/dbraw/zinc/91/12/25/1196911225.db2.gz WNOZUHRVKLNHNT-QGZVFWFLSA-N 2 1 375.521 0.628 20 0 GCADMP CN(C(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000529374442 1196920088 /nfs/dbraw/zinc/92/00/88/1196920088.db2.gz GEGSDRQBVSKXKE-BHIYHBOVSA-N 2 1 381.565 0.953 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576819 1196996172 /nfs/dbraw/zinc/99/61/72/1196996172.db2.gz PUKOHESHLZZMNY-IFMALSPDSA-N 2 1 386.540 0.862 20 0 GCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000451674411 1197006828 /nfs/dbraw/zinc/00/68/28/1197006828.db2.gz YSBAZPZOTAYFME-MRXNPFEDSA-N 2 1 387.550 0.187 20 0 GCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000451674411 1197006832 /nfs/dbraw/zinc/00/68/32/1197006832.db2.gz YSBAZPZOTAYFME-MRXNPFEDSA-N 2 1 387.550 0.187 20 0 GCADMP Cc1cc(NC(=O)NC[C@](C)(O)C[NH+]2CCOCC2)n(C2CC[NH+](C)CC2)n1 ZINC000531189538 1197051687 /nfs/dbraw/zinc/05/16/87/1197051687.db2.gz LZLVYULAWSRFQT-IBGZPJMESA-N 2 1 394.520 0.663 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385575 1197055429 /nfs/dbraw/zinc/05/54/29/1197055429.db2.gz UYAXURXXMJEQHC-RCCFBDPRSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452385575 1197055433 /nfs/dbraw/zinc/05/54/33/1197055433.db2.gz UYAXURXXMJEQHC-RCCFBDPRSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1=O ZINC000452385575 1197055436 /nfs/dbraw/zinc/05/54/36/1197055436.db2.gz UYAXURXXMJEQHC-RCCFBDPRSA-N 2 1 380.533 0.282 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385573 1197055768 /nfs/dbraw/zinc/05/57/68/1197055768.db2.gz UYAXURXXMJEQHC-OKZBNKHCSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452385573 1197055773 /nfs/dbraw/zinc/05/57/73/1197055773.db2.gz UYAXURXXMJEQHC-OKZBNKHCSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1=O ZINC000452385573 1197055778 /nfs/dbraw/zinc/05/57/78/1197055778.db2.gz UYAXURXXMJEQHC-OKZBNKHCSA-N 2 1 380.533 0.282 20 0 GCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644959 1197089764 /nfs/dbraw/zinc/08/97/64/1197089764.db2.gz DLLZGWAINHBWED-RTBURBONSA-N 2 1 379.549 0.214 20 0 GCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644959 1197089768 /nfs/dbraw/zinc/08/97/68/1197089768.db2.gz DLLZGWAINHBWED-RTBURBONSA-N 2 1 379.549 0.214 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000531661393 1197090881 /nfs/dbraw/zinc/09/08/81/1197090881.db2.gz IOYQUPKFQNSDKR-FGTMMUONSA-N 2 1 395.548 0.516 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)C1 ZINC000531661393 1197090885 /nfs/dbraw/zinc/09/08/85/1197090885.db2.gz IOYQUPKFQNSDKR-FGTMMUONSA-N 2 1 395.548 0.516 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]3C2)O1 ZINC000986327121 1197166720 /nfs/dbraw/zinc/16/67/20/1197166720.db2.gz KCYVGPGSGRPIIL-ZJPYXAASSA-N 2 1 390.528 0.108 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C45CC[NH+](CC4)C5)C[C@H]3C2)O1 ZINC000986327121 1197166722 /nfs/dbraw/zinc/16/67/22/1197166722.db2.gz KCYVGPGSGRPIIL-ZJPYXAASSA-N 2 1 390.528 0.108 20 0 GCADMP C[C@H]1C[NH+](CC2CC[NH+](CCNS(=O)(=O)c3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000173623663 1197177629 /nfs/dbraw/zinc/17/76/29/1197177629.db2.gz DSIDVZXYPMNQKD-HOTGVXAUSA-N 2 1 399.561 0.520 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000184075873 1197210541 /nfs/dbraw/zinc/21/05/41/1197210541.db2.gz MPAFHPKTAPXSLA-IPMKNSEASA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000453928732 1197221071 /nfs/dbraw/zinc/22/10/71/1197221071.db2.gz GTEGWTRDZAYYPQ-IYBDPMFKSA-N 2 1 392.500 0.479 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C[C@H](C)[N@@H+]1CCO ZINC000453928732 1197221076 /nfs/dbraw/zinc/22/10/76/1197221076.db2.gz GTEGWTRDZAYYPQ-IYBDPMFKSA-N 2 1 392.500 0.479 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1)Cc1ccccc1 ZINC000188759702 1197233707 /nfs/dbraw/zinc/23/37/07/1197233707.db2.gz KKYHZEUXWZJZQN-UHFFFAOYSA-N 2 1 382.512 0.945 20 0 GCADMP C[N@H+](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)Cc1ccccc1 ZINC000428542525 1197236737 /nfs/dbraw/zinc/23/67/37/1197236737.db2.gz GBUPOBKQFVQYMR-UHFFFAOYSA-N 2 1 376.482 0.994 20 0 GCADMP C[N@@H+](CC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1)Cc1ccccc1 ZINC000428542525 1197236738 /nfs/dbraw/zinc/23/67/38/1197236738.db2.gz GBUPOBKQFVQYMR-UHFFFAOYSA-N 2 1 376.482 0.994 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000192148747 1197245379 /nfs/dbraw/zinc/24/53/79/1197245379.db2.gz CWABZFFCJXDPHK-UHFFFAOYSA-N 2 1 394.608 0.681 20 0 GCADMP CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001708546309 1197314763 /nfs/dbraw/zinc/31/47/63/1197314763.db2.gz JLWRQPNJPJSHTJ-DLBZAZTESA-N 2 1 380.537 0.891 20 0 GCADMP CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001708546309 1197314766 /nfs/dbraw/zinc/31/47/66/1197314766.db2.gz JLWRQPNJPJSHTJ-DLBZAZTESA-N 2 1 380.537 0.891 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319294 1197326468 /nfs/dbraw/zinc/32/64/68/1197326468.db2.gz ICXAGVSEVRSMDT-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319294 1197326473 /nfs/dbraw/zinc/32/64/73/1197326473.db2.gz ICXAGVSEVRSMDT-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319294 1197326477 /nfs/dbraw/zinc/32/64/77/1197326477.db2.gz ICXAGVSEVRSMDT-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000111663525 1197332328 /nfs/dbraw/zinc/33/23/28/1197332328.db2.gz NACZDQQQWJLHKR-MSOLQXFVSA-N 2 1 380.533 0.500 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000111663525 1197332332 /nfs/dbraw/zinc/33/23/32/1197332332.db2.gz NACZDQQQWJLHKR-MSOLQXFVSA-N 2 1 380.533 0.500 20 0 GCADMP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459207668 1197349788 /nfs/dbraw/zinc/34/97/88/1197349788.db2.gz DKUXWPSMYAKMBO-GOSISDBHSA-N 2 1 398.548 0.620 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000123942462 1197351968 /nfs/dbraw/zinc/35/19/68/1197351968.db2.gz NQZYIWDURXRQPS-QAPCUYQASA-N 2 1 377.533 0.855 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000123942462 1197351970 /nfs/dbraw/zinc/35/19/70/1197351970.db2.gz NQZYIWDURXRQPS-QAPCUYQASA-N 2 1 377.533 0.855 20 0 GCADMP C[NH+]1CCC(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000105106989 1197378454 /nfs/dbraw/zinc/37/84/54/1197378454.db2.gz GWTJFZCGXUJUKR-UHFFFAOYSA-N 2 1 375.521 0.630 20 0 GCADMP COc1cccc(COC[C@@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)c1 ZINC000359999576 1197379495 /nfs/dbraw/zinc/37/94/95/1197379495.db2.gz OMFZJUVZJUDEHJ-IBGZPJMESA-N 2 1 394.512 0.732 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139435 1197391981 /nfs/dbraw/zinc/39/19/81/1197391981.db2.gz BNIBGCBKOTYFFJ-MSOLQXFVSA-N 2 1 387.532 0.724 20 0 GCADMP C[C@](O)(CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411424 1197399306 /nfs/dbraw/zinc/39/93/06/1197399306.db2.gz QXGGVCSVZABIMY-CTNGQTDRSA-N 2 1 390.528 0.891 20 0 GCADMP C[C@](O)(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411424 1197399310 /nfs/dbraw/zinc/39/93/10/1197399310.db2.gz QXGGVCSVZABIMY-CTNGQTDRSA-N 2 1 390.528 0.891 20 0 GCADMP C(C[NH+]1CCC[C@H]1CN1CCOCC1)C[N@H+]1CCC[C@H]1CN1CCOCC1 ZINC000245455360 1197404003 /nfs/dbraw/zinc/40/40/03/1197404003.db2.gz SNNNOZHJPTWLLU-SFTDATJTSA-N 2 1 380.577 0.970 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897499535 1197413731 /nfs/dbraw/zinc/41/37/31/1197413731.db2.gz IULKDRSJKDDPHJ-XHSDSOJGSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897499535 1197413734 /nfs/dbraw/zinc/41/37/34/1197413734.db2.gz IULKDRSJKDDPHJ-XHSDSOJGSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897499535 1197413737 /nfs/dbraw/zinc/41/37/37/1197413737.db2.gz IULKDRSJKDDPHJ-XHSDSOJGSA-N 2 1 382.549 0.979 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)NCCCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000454434693 1197413817 /nfs/dbraw/zinc/41/38/17/1197413817.db2.gz CXARJWVVEZUJKC-MSOLQXFVSA-N 2 1 387.532 0.724 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419349998 1197417747 /nfs/dbraw/zinc/41/77/47/1197417747.db2.gz YYJQEDRZZOKMIU-IBGZPJMESA-N 2 1 387.528 0.294 20 0 GCADMP CCCn1c(N)c(C(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(=O)[nH]c1=O ZINC000532963651 1197422711 /nfs/dbraw/zinc/42/27/11/1197422711.db2.gz IVZMNOYHBMTBFF-CYBMUJFWSA-N 2 1 395.504 0.148 20 0 GCADMP CCCn1c(N)c(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(=O)[nH]c1=O ZINC000532963651 1197422713 /nfs/dbraw/zinc/42/27/13/1197422713.db2.gz IVZMNOYHBMTBFF-CYBMUJFWSA-N 2 1 395.504 0.148 20 0 GCADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000532950661 1197422817 /nfs/dbraw/zinc/42/28/17/1197422817.db2.gz YUZRDMWGCPXEBA-ZDUSSCGKSA-N 2 1 379.505 0.290 20 0 GCADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000532950661 1197422819 /nfs/dbraw/zinc/42/28/19/1197422819.db2.gz YUZRDMWGCPXEBA-ZDUSSCGKSA-N 2 1 379.505 0.290 20 0 GCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000246012476 1197442797 /nfs/dbraw/zinc/44/27/97/1197442797.db2.gz TZYJVWIFCAJJDG-RDJZCZTQSA-N 2 1 386.562 0.621 20 0 GCADMP COC(=O)CNC(=O)[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484700 1197454800 /nfs/dbraw/zinc/45/48/00/1197454800.db2.gz QZOFBFSWSXXBKQ-INIZCTEOSA-N 2 1 382.549 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1=O ZINC000246449108 1197470317 /nfs/dbraw/zinc/47/03/17/1197470317.db2.gz LRHCSBRNNZHAFA-CEXWTWQISA-N 2 1 392.544 0.500 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000073131149 1197470414 /nfs/dbraw/zinc/47/04/14/1197470414.db2.gz OUEKLOBFJJEQBG-SJORKVTESA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1=O ZINC000246473153 1197471603 /nfs/dbraw/zinc/47/16/03/1197471603.db2.gz QVNYAOYRDDTKNK-INDMIFKZSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(=O)N(C)C ZINC000246499026 1197472062 /nfs/dbraw/zinc/47/20/62/1197472062.db2.gz ZCLYWOVLOBXSRW-BRWVUGGUSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2([NH+](C)C)CCOCC2)CC1=O ZINC000246998680 1197474594 /nfs/dbraw/zinc/47/45/94/1197474594.db2.gz OUEKLOBFJJEQBG-DLBZAZTESA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)CN2CCOCC2)CC1=O ZINC000247244241 1197475756 /nfs/dbraw/zinc/47/57/56/1197475756.db2.gz ZKKLPKUVPWBHND-OKZBNKHCSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000247244241 1197475758 /nfs/dbraw/zinc/47/57/58/1197475758.db2.gz ZKKLPKUVPWBHND-OKZBNKHCSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000247244241 1197475761 /nfs/dbraw/zinc/47/57/61/1197475761.db2.gz ZKKLPKUVPWBHND-OKZBNKHCSA-N 2 1 380.533 0.404 20 0 GCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000666796300 1197505337 /nfs/dbraw/zinc/50/53/37/1197505337.db2.gz MZCPGBXUKTZNNA-IBGZPJMESA-N 2 1 387.528 0.973 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc(OCC[NH3+])cc3)CC2)C1 ZINC000666796291 1197505420 /nfs/dbraw/zinc/50/54/20/1197505420.db2.gz LFWXWBPYUMUACZ-QGZVFWFLSA-N 2 1 389.500 0.201 20 0 GCADMP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000666796301 1197505576 /nfs/dbraw/zinc/50/55/76/1197505576.db2.gz MZCPGBXUKTZNNA-LJQANCHMSA-N 2 1 387.528 0.973 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724283 1197512645 /nfs/dbraw/zinc/51/26/45/1197512645.db2.gz LYZWRHQUNZUXCK-IRXDYDNUSA-N 2 1 380.533 0.452 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763107 1197513637 /nfs/dbraw/zinc/51/36/37/1197513637.db2.gz GCSAOYWGBJHDHX-RDJZCZTQSA-N 2 1 393.532 0.725 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763107 1197513639 /nfs/dbraw/zinc/51/36/39/1197513639.db2.gz GCSAOYWGBJHDHX-RDJZCZTQSA-N 2 1 393.532 0.725 20 0 GCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261758284 1197513735 /nfs/dbraw/zinc/51/37/35/1197513735.db2.gz FPUCLEMEQGWPKY-RBSFLKMASA-N 2 1 381.521 0.579 20 0 GCADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000261828655 1197515886 /nfs/dbraw/zinc/51/58/86/1197515886.db2.gz YLZHIUPPKLNJHM-GOSISDBHSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000261828655 1197515890 /nfs/dbraw/zinc/51/58/90/1197515890.db2.gz YLZHIUPPKLNJHM-GOSISDBHSA-N 2 1 398.504 0.329 20 0 GCADMP COc1ccc(CN(CCC(=O)N2CCNCC2)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000261977080 1197521651 /nfs/dbraw/zinc/52/16/51/1197521651.db2.gz BTNLYOSZNPHLLY-QGZVFWFLSA-N 2 1 395.525 0.506 20 0 GCADMP CCNC(=O)COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000262129411 1197525772 /nfs/dbraw/zinc/52/57/72/1197525772.db2.gz NQSDAWIERYNUJR-QGZVFWFLSA-N 2 1 376.501 0.690 20 0 GCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000262527065 1197533432 /nfs/dbraw/zinc/53/34/32/1197533432.db2.gz NVODJJZFEDIMCJ-KRWDZBQOSA-N 2 1 378.517 0.444 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428634209 1197558249 /nfs/dbraw/zinc/55/82/49/1197558249.db2.gz ZJVVEDMHWRSJDE-RDGPPVDQSA-N 2 1 394.560 0.791 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428634209 1197558254 /nfs/dbraw/zinc/55/82/54/1197558254.db2.gz ZJVVEDMHWRSJDE-RDGPPVDQSA-N 2 1 394.560 0.791 20 0 GCADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000999562391 1198949483 /nfs/dbraw/zinc/94/94/83/1198949483.db2.gz UNGBNTQYLSXBIW-VSZNYVQBSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000999562391 1198949486 /nfs/dbraw/zinc/94/94/86/1198949486.db2.gz UNGBNTQYLSXBIW-VSZNYVQBSA-N 2 1 378.517 0.440 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC000672007058 1199000601 /nfs/dbraw/zinc/00/06/01/1199000601.db2.gz AOIWGEBVZFDTQS-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N[C@H](C)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC000672007058 1199000610 /nfs/dbraw/zinc/00/06/10/1199000610.db2.gz AOIWGEBVZFDTQS-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000672014941 1199006422 /nfs/dbraw/zinc/00/64/22/1199006422.db2.gz PLHHBPSXTSJGCU-JKSUJKDBSA-N 2 1 380.533 0.545 20 0 GCADMP C[N@H+]1C[C@H](C(=O)N[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795366 1199010908 /nfs/dbraw/zinc/01/09/08/1199010908.db2.gz XIZXVBWSZBLPOP-MHTWAQMVSA-N 2 1 387.524 0.920 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795366 1199010910 /nfs/dbraw/zinc/01/09/10/1199010910.db2.gz XIZXVBWSZBLPOP-MHTWAQMVSA-N 2 1 387.524 0.920 20 0 GCADMP C[NH+]1C[C@H](C(=O)N[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2O)[C@@H](c2ccccc2)C1 ZINC001083795366 1199010917 /nfs/dbraw/zinc/01/09/17/1199010917.db2.gz XIZXVBWSZBLPOP-MHTWAQMVSA-N 2 1 387.524 0.920 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[NH+](CC2CC2)C1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108307175 1199043209 /nfs/dbraw/zinc/04/32/09/1199043209.db2.gz ZMWFURPFASOTJM-HDICACEKSA-N 2 1 378.517 0.204 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108307175 1199043212 /nfs/dbraw/zinc/04/32/12/1199043212.db2.gz ZMWFURPFASOTJM-HDICACEKSA-N 2 1 378.517 0.204 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108307175 1199043218 /nfs/dbraw/zinc/04/32/18/1199043218.db2.gz ZMWFURPFASOTJM-HDICACEKSA-N 2 1 378.517 0.204 20 0 GCADMP O=C(CSCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000108307191 1199044027 /nfs/dbraw/zinc/04/40/27/1199044027.db2.gz NPCLYKPANQSGLT-QZTJIDSGSA-N 2 1 394.585 0.921 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108548246 1199057423 /nfs/dbraw/zinc/05/74/23/1199057423.db2.gz PSQRKBGWHWFQOS-GOSISDBHSA-N 2 1 387.532 0.772 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108548246 1199057431 /nfs/dbraw/zinc/05/74/31/1199057431.db2.gz PSQRKBGWHWFQOS-GOSISDBHSA-N 2 1 387.532 0.772 20 0 GCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627307726 1199156743 /nfs/dbraw/zinc/15/67/43/1199156743.db2.gz VDNGRXRDFPMTOU-TZMCWYRMSA-N 2 1 378.439 0.963 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000656353352 1199186380 /nfs/dbraw/zinc/18/63/80/1199186380.db2.gz AJIYOHUFHBLRPP-QZTJIDSGSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000656353352 1199186385 /nfs/dbraw/zinc/18/63/85/1199186385.db2.gz AJIYOHUFHBLRPP-QZTJIDSGSA-N 2 1 378.517 0.443 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCOC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000672278696 1199186716 /nfs/dbraw/zinc/18/67/16/1199186716.db2.gz HZOXUWWVGPHIBX-NXHRZFHOSA-N 2 1 380.533 0.687 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)N[C@@H]1CCOC1 ZINC000672285298 1199187895 /nfs/dbraw/zinc/18/78/95/1199187895.db2.gz CCFGKYZMEJXZGW-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN1CCOC ZINC000672304133 1199198382 /nfs/dbraw/zinc/19/83/82/1199198382.db2.gz IRNIIYXTCSGAJJ-ROUUACIJSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CCOC ZINC000672304133 1199198385 /nfs/dbraw/zinc/19/83/85/1199198385.db2.gz IRNIIYXTCSGAJJ-ROUUACIJSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CCOC ZINC000672304133 1199198386 /nfs/dbraw/zinc/19/83/86/1199198386.db2.gz IRNIIYXTCSGAJJ-ROUUACIJSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CCOC ZINC000672304133 1199198391 /nfs/dbraw/zinc/19/83/91/1199198391.db2.gz IRNIIYXTCSGAJJ-ROUUACIJSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000672306661 1199200642 /nfs/dbraw/zinc/20/06/42/1199200642.db2.gz SHECPUYYLLRTNU-QRQLOZEOSA-N 2 1 391.560 0.071 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000672309418 1199201944 /nfs/dbraw/zinc/20/19/44/1199201944.db2.gz RFLBODUYVGWDGO-IBGZPJMESA-N 2 1 384.524 0.802 20 0 GCADMP Cn1cc(N2CCC[C@@H]([NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)C2=O)cn1 ZINC000172771805 1199204060 /nfs/dbraw/zinc/20/40/60/1199204060.db2.gz WKBNOTXXQZKFLC-QGZVFWFLSA-N 2 1 376.505 0.305 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC000672330368 1199209885 /nfs/dbraw/zinc/20/98/85/1199209885.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 1 379.549 0.262 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC[NH+](C)C3CCCC3)C2)CC1 ZINC000672330368 1199209891 /nfs/dbraw/zinc/20/98/91/1199209891.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 1 379.549 0.262 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC[NH+](C)C3CCCC3)C2)CC1 ZINC000672330368 1199209899 /nfs/dbraw/zinc/20/98/99/1199209899.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 3 1 379.549 0.262 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCC[N@H+](C)C3CCCC3)C2)CC1 ZINC000672330368 1199209903 /nfs/dbraw/zinc/20/99/03/1199209903.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 2 1 379.549 0.262 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000672330368 1199209908 /nfs/dbraw/zinc/20/99/08/1199209908.db2.gz YCPISBVXFUGVBU-INIZCTEOSA-N 2 1 379.549 0.262 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214602 /nfs/dbraw/zinc/21/46/02/1199214602.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214605 /nfs/dbraw/zinc/21/46/05/1199214605.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214606 /nfs/dbraw/zinc/21/46/06/1199214606.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214610 /nfs/dbraw/zinc/21/46/10/1199214610.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 2 1 396.580 0.241 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949332 1199214614 /nfs/dbraw/zinc/21/46/14/1199214614.db2.gz DZKCCGPEPOVJPD-QGZVFWFLSA-N 2 1 396.580 0.241 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358019 1199215870 /nfs/dbraw/zinc/21/58/70/1199215870.db2.gz NXFNFBGSGSEDGV-RTBURBONSA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000672358019 1199215872 /nfs/dbraw/zinc/21/58/72/1199215872.db2.gz NXFNFBGSGSEDGV-RTBURBONSA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000672358019 1199215874 /nfs/dbraw/zinc/21/58/74/1199215874.db2.gz NXFNFBGSGSEDGV-RTBURBONSA-N 2 1 388.512 0.556 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000672358469 1199218720 /nfs/dbraw/zinc/21/87/20/1199218720.db2.gz ANLCXUCGFUIVCH-IBGZPJMESA-N 2 1 394.560 0.938 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H](C)C[NH+]3CCOCC3)CC2)c1 ZINC000265797844 1199232745 /nfs/dbraw/zinc/23/27/45/1199232745.db2.gz MVTNYVWXNAKIBZ-MRXNPFEDSA-N 2 1 377.489 0.890 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672470640 1199242672 /nfs/dbraw/zinc/24/26/72/1199242672.db2.gz RMUDHAUDCOIUGC-WMZOPIPTSA-N 2 1 386.537 0.474 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672470640 1199242677 /nfs/dbraw/zinc/24/26/77/1199242677.db2.gz RMUDHAUDCOIUGC-WMZOPIPTSA-N 2 1 386.537 0.474 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588504 1199274810 /nfs/dbraw/zinc/27/48/10/1199274810.db2.gz RCGWVXMKODJEEY-SOLBZPMBSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588504 1199274814 /nfs/dbraw/zinc/27/48/14/1199274814.db2.gz RCGWVXMKODJEEY-SOLBZPMBSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000672588504 1199274818 /nfs/dbraw/zinc/27/48/18/1199274818.db2.gz RCGWVXMKODJEEY-SOLBZPMBSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000672588504 1199274824 /nfs/dbraw/zinc/27/48/24/1199274824.db2.gz RCGWVXMKODJEEY-SOLBZPMBSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000672593671 1199276235 /nfs/dbraw/zinc/27/62/35/1199276235.db2.gz KBVIZTFXSCFCDT-ZKXLYKBJSA-N 2 1 380.533 0.686 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000672593671 1199276238 /nfs/dbraw/zinc/27/62/38/1199276238.db2.gz KBVIZTFXSCFCDT-ZKXLYKBJSA-N 2 1 380.533 0.686 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638508 1199289091 /nfs/dbraw/zinc/28/90/91/1199289091.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638508 1199289093 /nfs/dbraw/zinc/28/90/93/1199289093.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638508 1199289097 /nfs/dbraw/zinc/28/90/97/1199289097.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672638508 1199289100 /nfs/dbraw/zinc/28/91/00/1199289100.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672638508 1199289103 /nfs/dbraw/zinc/28/91/03/1199289103.db2.gz RSZYUZFWXQIQSV-MSOLQXFVSA-N 2 1 393.576 0.365 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672637818 1199291362 /nfs/dbraw/zinc/29/13/62/1199291362.db2.gz CUKKXEIDGBRUIM-SJLPKXTDSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672637818 1199291369 /nfs/dbraw/zinc/29/13/69/1199291369.db2.gz CUKKXEIDGBRUIM-SJLPKXTDSA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)C2)CC1 ZINC000672638937 1199293649 /nfs/dbraw/zinc/29/36/49/1199293649.db2.gz WIYZCLTZQMUMJE-GOSISDBHSA-N 2 1 393.576 0.461 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)C2)CC1 ZINC000672638937 1199293655 /nfs/dbraw/zinc/29/36/55/1199293655.db2.gz WIYZCLTZQMUMJE-GOSISDBHSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640417 1199293960 /nfs/dbraw/zinc/29/39/60/1199293960.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640417 1199293962 /nfs/dbraw/zinc/29/39/62/1199293962.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640417 1199293966 /nfs/dbraw/zinc/29/39/66/1199293966.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640417 1199293971 /nfs/dbraw/zinc/29/39/71/1199293971.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640417 1199293977 /nfs/dbraw/zinc/29/39/77/1199293977.db2.gz DSHBYTKSWRQXOM-DOTOQJQBSA-N 2 1 377.533 0.038 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641030 1199299021 /nfs/dbraw/zinc/29/90/21/1199299021.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641030 1199299026 /nfs/dbraw/zinc/29/90/26/1199299026.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641030 1199299033 /nfs/dbraw/zinc/29/90/33/1199299033.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641030 1199299040 /nfs/dbraw/zinc/29/90/40/1199299040.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641030 1199299045 /nfs/dbraw/zinc/29/90/45/1199299045.db2.gz KDNCJZSXYOZXFK-ZIFCJYIRSA-N 2 1 391.560 0.214 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672642483 1199300604 /nfs/dbraw/zinc/30/06/04/1199300604.db2.gz BMQDISWDHHQYCN-IRXDYDNUSA-N 2 1 379.549 0.260 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672642483 1199300605 /nfs/dbraw/zinc/30/06/05/1199300605.db2.gz BMQDISWDHHQYCN-IRXDYDNUSA-N 2 1 379.549 0.260 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302371 /nfs/dbraw/zinc/30/23/71/1199302371.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302376 /nfs/dbraw/zinc/30/23/76/1199302376.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302378 /nfs/dbraw/zinc/30/23/78/1199302378.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302381 /nfs/dbraw/zinc/30/23/81/1199302381.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643398 1199302384 /nfs/dbraw/zinc/30/23/84/1199302384.db2.gz XAWGBVBPZDDKNR-WMZOPIPTSA-N 2 1 393.576 0.508 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643212 1199302580 /nfs/dbraw/zinc/30/25/80/1199302580.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643212 1199302586 /nfs/dbraw/zinc/30/25/86/1199302586.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643212 1199302590 /nfs/dbraw/zinc/30/25/90/1199302590.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643212 1199302595 /nfs/dbraw/zinc/30/25/95/1199302595.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643212 1199302597 /nfs/dbraw/zinc/30/25/97/1199302597.db2.gz UWSKIVAZRVJUEF-AOIWGVFYSA-N 2 1 393.576 0.602 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641891 1199302833 /nfs/dbraw/zinc/30/28/33/1199302833.db2.gz ZRWWMVBPXJEVTR-QFBILLFUSA-N 2 1 391.560 0.404 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642903 1199305078 /nfs/dbraw/zinc/30/50/78/1199305078.db2.gz JQTXBLXWQKMAIE-MSOLQXFVSA-N 2 1 393.576 0.652 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642903 1199305080 /nfs/dbraw/zinc/30/50/80/1199305080.db2.gz JQTXBLXWQKMAIE-MSOLQXFVSA-N 2 1 393.576 0.652 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642833 1199306391 /nfs/dbraw/zinc/30/63/91/1199306391.db2.gz VXTYWSJGDIOIBQ-KRWDZBQOSA-N 2 1 393.576 0.509 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC000672642833 1199306399 /nfs/dbraw/zinc/30/63/99/1199306399.db2.gz VXTYWSJGDIOIBQ-KRWDZBQOSA-N 2 1 393.576 0.509 20 0 GCADMP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000672722647 1199321349 /nfs/dbraw/zinc/32/13/49/1199321349.db2.gz IUTLWQXFLCCEDY-ROUUACIJSA-N 2 1 395.592 0.707 20 0 GCADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000672722648 1199321495 /nfs/dbraw/zinc/32/14/95/1199321495.db2.gz IUTLWQXFLCCEDY-ZWKOTPCHSA-N 2 1 395.592 0.707 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000672848613 1199345764 /nfs/dbraw/zinc/34/57/64/1199345764.db2.gz LJLXPDNZKNYVMP-UHFFFAOYSA-N 2 1 383.537 0.027 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854508 1199352249 /nfs/dbraw/zinc/35/22/49/1199352249.db2.gz HLPQLINSUCVOCT-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672869734 1199356054 /nfs/dbraw/zinc/35/60/54/1199356054.db2.gz DXAJANAYGBGELG-WBVHZDCISA-N 2 1 380.533 0.687 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672869734 1199356058 /nfs/dbraw/zinc/35/60/58/1199356058.db2.gz DXAJANAYGBGELG-WBVHZDCISA-N 2 1 380.533 0.687 20 0 GCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1CCO ZINC000672957616 1199376938 /nfs/dbraw/zinc/37/69/38/1199376938.db2.gz QYECJUSISKMKJC-MSOLQXFVSA-N 2 1 382.549 0.852 20 0 GCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@H+]1CCO ZINC000672957618 1199377014 /nfs/dbraw/zinc/37/70/14/1199377014.db2.gz QYECJUSISKMKJC-QZTJIDSGSA-N 2 1 382.549 0.852 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969769 1199380719 /nfs/dbraw/zinc/38/07/19/1199380719.db2.gz KOSLAXNCRFRTRR-CYBMUJFWSA-N 2 1 385.468 0.153 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000673129481 1199433824 /nfs/dbraw/zinc/43/38/24/1199433824.db2.gz DJPXCMJPFSBCSM-GOSISDBHSA-N 2 1 390.532 0.326 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000673129481 1199433833 /nfs/dbraw/zinc/43/38/33/1199433833.db2.gz DJPXCMJPFSBCSM-GOSISDBHSA-N 2 1 390.532 0.326 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000673129482 1199434127 /nfs/dbraw/zinc/43/41/27/1199434127.db2.gz DJPXCMJPFSBCSM-SFHVURJKSA-N 2 1 390.532 0.326 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000673129482 1199434132 /nfs/dbraw/zinc/43/41/32/1199434132.db2.gz DJPXCMJPFSBCSM-SFHVURJKSA-N 2 1 390.532 0.326 20 0 GCADMP CC[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc2)CC1 ZINC000673149734 1199457369 /nfs/dbraw/zinc/45/73/69/1199457369.db2.gz BVJGXHZNBSIOLC-HNNXBMFYSA-N 2 1 389.500 0.469 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C[NH+]1CCOCC1 ZINC000627346449 1199495710 /nfs/dbraw/zinc/49/57/10/1199495710.db2.gz RAZYNWZRHCACAO-RDBSUJKOSA-N 2 1 394.438 0.057 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673269190 1199508274 /nfs/dbraw/zinc/50/82/74/1199508274.db2.gz YGKSEBIVWZTASQ-MAUKXSAKSA-N 2 1 389.500 0.250 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673269190 1199508281 /nfs/dbraw/zinc/50/82/81/1199508281.db2.gz YGKSEBIVWZTASQ-MAUKXSAKSA-N 2 1 389.500 0.250 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000673337139 1199550213 /nfs/dbraw/zinc/55/02/13/1199550213.db2.gz HUMAJKXBGFCUAN-MSOLQXFVSA-N 2 1 382.549 0.719 20 0 GCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCCC1 ZINC000673380744 1199583145 /nfs/dbraw/zinc/58/31/45/1199583145.db2.gz JISLHCGSUCHCRJ-GOSISDBHSA-N 2 1 393.576 0.463 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCCO1 ZINC000673426410 1199629653 /nfs/dbraw/zinc/62/96/53/1199629653.db2.gz YEBZXIKKMVOFON-QGZVFWFLSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000673427678 1199630562 /nfs/dbraw/zinc/63/05/62/1199630562.db2.gz GRMBHUGKXJPGCN-SJORKVTESA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427682 1199631305 /nfs/dbraw/zinc/63/13/05/1199631305.db2.gz IQMFMVCNDQNVPW-ZWKOTPCHSA-N 2 1 380.533 0.690 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446302 1199659106 /nfs/dbraw/zinc/65/91/06/1199659106.db2.gz VGEPWBRCMKARBG-DLBZAZTESA-N 2 1 382.549 0.792 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(C)C ZINC000467665085 1199759202 /nfs/dbraw/zinc/75/92/02/1199759202.db2.gz DUTDSFSMKSIIKV-UHFFFAOYSA-N 2 1 377.489 0.972 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C(C)C ZINC000467665085 1199759204 /nfs/dbraw/zinc/75/92/04/1199759204.db2.gz DUTDSFSMKSIIKV-UHFFFAOYSA-N 2 1 377.489 0.972 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000673583413 1199826407 /nfs/dbraw/zinc/82/64/07/1199826407.db2.gz LOMAHNQJFNBWRC-OQIJWPOYSA-N 2 1 392.544 0.423 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000673583412 1199826553 /nfs/dbraw/zinc/82/65/53/1199826553.db2.gz LOMAHNQJFNBWRC-NXWXRZEISA-N 2 1 392.544 0.423 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000673584585 1199830904 /nfs/dbraw/zinc/83/09/04/1199830904.db2.gz VXSIENVEOLMGFX-QZTJIDSGSA-N 2 1 391.516 0.534 20 0 GCADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000157467449 1199918345 /nfs/dbraw/zinc/91/83/45/1199918345.db2.gz ILYDWOPKRZFWHP-QZTJIDSGSA-N 2 1 382.549 0.839 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672324 1199926695 /nfs/dbraw/zinc/92/66/95/1199926695.db2.gz CBZWHJJNFKODRG-RBBKRZOGSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672324 1199926697 /nfs/dbraw/zinc/92/66/97/1199926697.db2.gz CBZWHJJNFKODRG-RBBKRZOGSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672324 1199926698 /nfs/dbraw/zinc/92/66/98/1199926698.db2.gz CBZWHJJNFKODRG-RBBKRZOGSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978650 1200045257 /nfs/dbraw/zinc/04/52/57/1200045257.db2.gz AWWGICKDQMVMND-FUHWJXTLSA-N 2 1 385.578 0.129 20 0 GCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946777974 1200065087 /nfs/dbraw/zinc/06/50/87/1200065087.db2.gz IIUOJWJYWFDORC-QBPKDAKJSA-N 2 1 380.533 0.401 20 0 GCADMP CO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000946777974 1200065092 /nfs/dbraw/zinc/06/50/92/1200065092.db2.gz IIUOJWJYWFDORC-QBPKDAKJSA-N 2 1 380.533 0.401 20 0 GCADMP CN(CC[NH+](C)C)C(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000674281686 1200215674 /nfs/dbraw/zinc/21/56/74/1200215674.db2.gz XZYNZSYAQXLATH-UHFFFAOYSA-N 2 1 390.532 0.922 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000246491703 1200408932 /nfs/dbraw/zinc/40/89/32/1200408932.db2.gz SMNGZJYWSWPSRF-IPMKNSEASA-N 2 1 394.560 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000246491703 1200408940 /nfs/dbraw/zinc/40/89/40/1200408940.db2.gz SMNGZJYWSWPSRF-IPMKNSEASA-N 2 1 394.560 0.792 20 0 GCADMP CC(C)OCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004088 1200409288 /nfs/dbraw/zinc/40/92/88/1200409288.db2.gz LOFHEHAVZBHWIS-TVFCKZIOSA-N 2 1 378.521 0.775 20 0 GCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004088 1200409290 /nfs/dbraw/zinc/40/92/90/1200409290.db2.gz LOFHEHAVZBHWIS-TVFCKZIOSA-N 2 1 378.521 0.775 20 0 GCADMP CC(C)OCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129004088 1200409293 /nfs/dbraw/zinc/40/92/93/1200409293.db2.gz LOFHEHAVZBHWIS-TVFCKZIOSA-N 2 1 378.521 0.775 20 0 GCADMP CCOCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004746 1200410397 /nfs/dbraw/zinc/41/03/97/1200410397.db2.gz WROVZAFTMVKWBO-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004746 1200410405 /nfs/dbraw/zinc/41/04/05/1200410405.db2.gz WROVZAFTMVKWBO-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP CCOCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)[C@@H](n2ccnn2)C1 ZINC001129004746 1200410413 /nfs/dbraw/zinc/41/04/13/1200410413.db2.gz WROVZAFTMVKWBO-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1=O ZINC000246525200 1200410897 /nfs/dbraw/zinc/41/08/97/1200410897.db2.gz WBVVKGAIKUCAFI-IPMKNSEASA-N 2 1 394.560 0.888 20 0 GCADMP CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000675552636 1200432471 /nfs/dbraw/zinc/43/24/71/1200432471.db2.gz HULXVJXHXJZIAQ-HNAYVOBHSA-N 2 1 387.488 0.039 20 0 GCADMP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065530 1200461608 /nfs/dbraw/zinc/46/16/08/1200461608.db2.gz XVLJYMNJNOTYJU-ZJPYXAASSA-N 2 1 378.521 0.775 20 0 GCADMP CC(C)CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065530 1200461611 /nfs/dbraw/zinc/46/16/11/1200461611.db2.gz XVLJYMNJNOTYJU-ZJPYXAASSA-N 2 1 378.521 0.775 20 0 GCADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065530 1200461617 /nfs/dbraw/zinc/46/16/17/1200461617.db2.gz XVLJYMNJNOTYJU-ZJPYXAASSA-N 2 1 378.521 0.775 20 0 GCADMP CC(C)CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129065530 1200461618 /nfs/dbraw/zinc/46/16/18/1200461618.db2.gz XVLJYMNJNOTYJU-ZJPYXAASSA-N 2 1 378.521 0.775 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CC2)C1 ZINC000676169427 1200504428 /nfs/dbraw/zinc/50/44/28/1200504428.db2.gz XLZOOPLSGYNKAZ-XUVXKRRUSA-N 2 1 393.576 0.786 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279759 1200530289 /nfs/dbraw/zinc/53/02/89/1200530289.db2.gz PVJFELKWQVLWLG-CRAIPNDOSA-N 2 1 392.500 0.709 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279759 1200530295 /nfs/dbraw/zinc/53/02/95/1200530295.db2.gz PVJFELKWQVLWLG-CRAIPNDOSA-N 2 1 392.500 0.709 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676279936 1200530642 /nfs/dbraw/zinc/53/06/42/1200530642.db2.gz RAJXBJOXSIUERC-SUMWQHHRSA-N 2 1 378.473 0.531 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676279936 1200530648 /nfs/dbraw/zinc/53/06/48/1200530648.db2.gz RAJXBJOXSIUERC-SUMWQHHRSA-N 2 1 378.473 0.531 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000676359222 1200551461 /nfs/dbraw/zinc/55/14/61/1200551461.db2.gz MDYWVFAPOSCFAA-IEBWSBKVSA-N 2 1 381.565 0.906 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000676359222 1200551466 /nfs/dbraw/zinc/55/14/66/1200551466.db2.gz MDYWVFAPOSCFAA-IEBWSBKVSA-N 2 1 381.565 0.906 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)n1 ZINC000448487327 1200637613 /nfs/dbraw/zinc/63/76/13/1200637613.db2.gz GMABLQPIBHWTIQ-CQSZACIVSA-N 2 1 378.502 0.864 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000376091231 1200660863 /nfs/dbraw/zinc/66/08/63/1200660863.db2.gz BDWGNDKOWDGOJV-UHFFFAOYSA-N 2 1 376.505 1.079 20 0 GCADMP Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)no1 ZINC000369276316 1200851966 /nfs/dbraw/zinc/85/19/66/1200851966.db2.gz GQZJCVMITIGYFC-CQSZACIVSA-N 2 1 395.529 0.939 20 0 GCADMP Cc1cc(NC(=O)CSCC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)no1 ZINC000369276316 1200851982 /nfs/dbraw/zinc/85/19/82/1200851982.db2.gz GQZJCVMITIGYFC-CQSZACIVSA-N 2 1 395.529 0.939 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000625898012 1200865897 /nfs/dbraw/zinc/86/58/97/1200865897.db2.gz CYDSNPWYDKLKAU-MRXNPFEDSA-N 2 1 377.489 0.159 20 0 GCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000923489108 1201042923 /nfs/dbraw/zinc/04/29/23/1201042923.db2.gz OEAFJOKOGWXPSL-HNNXBMFYSA-N 2 1 398.504 0.329 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001079185069 1201249719 /nfs/dbraw/zinc/24/97/19/1201249719.db2.gz BLRFRSJHJPWTIA-WNRNVDISSA-N 2 1 376.476 0.925 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH2+]CC(N)=O)C2)CC[N@H+]1C ZINC001079295762 1201251857 /nfs/dbraw/zinc/25/18/57/1201251857.db2.gz RZRYKULGYFDXHP-CWLKWCNXSA-N 2 1 376.476 0.925 20 0 GCADMP CO[C@@H]1C[N@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694862 1201301901 /nfs/dbraw/zinc/30/19/01/1201301901.db2.gz UZXKNLLHSKSDBU-KLHDSHLOSA-N 2 1 382.530 0.374 20 0 GCADMP CO[C@@H]1C[N@@H+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001081694862 1201301905 /nfs/dbraw/zinc/30/19/05/1201301905.db2.gz UZXKNLLHSKSDBU-KLHDSHLOSA-N 2 1 382.530 0.374 20 0 GCADMP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001081694862 1201301911 /nfs/dbraw/zinc/30/19/11/1201301911.db2.gz UZXKNLLHSKSDBU-KLHDSHLOSA-N 2 1 382.530 0.374 20 0 GCADMP CO[C@@H]1C[NH+](CCn2c(C)csc2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001081694862 1201301916 /nfs/dbraw/zinc/30/19/16/1201301916.db2.gz UZXKNLLHSKSDBU-KLHDSHLOSA-N 2 1 382.530 0.374 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082520148 1201336399 /nfs/dbraw/zinc/33/63/99/1201336399.db2.gz DCCVGFPYSKOIQM-IXYNUQLISA-N 2 1 385.472 0.803 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nc(-c2ccncn2)no1 ZINC001082520148 1201336403 /nfs/dbraw/zinc/33/64/03/1201336403.db2.gz DCCVGFPYSKOIQM-IXYNUQLISA-N 2 1 385.472 0.803 20 0 GCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)cc1=O ZINC001082589432 1201338544 /nfs/dbraw/zinc/33/85/44/1201338544.db2.gz BBUDMAMSEVZSFU-GKLJAUDBSA-N 2 1 379.457 0.304 20 0 GCADMP COc1coc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)cc1=O ZINC001082589432 1201338550 /nfs/dbraw/zinc/33/85/50/1201338550.db2.gz BBUDMAMSEVZSFU-GKLJAUDBSA-N 2 1 379.457 0.304 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082755562 1201348341 /nfs/dbraw/zinc/34/83/41/1201348341.db2.gz NDNPUYWALIBUOG-NRSFXHEJSA-N 2 1 383.500 0.492 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH2+]Cc1nnnn1C ZINC001082755562 1201348347 /nfs/dbraw/zinc/34/83/47/1201348347.db2.gz NDNPUYWALIBUOG-NRSFXHEJSA-N 2 1 383.500 0.492 20 0 GCADMP C[C@H](CCN1CCC[C@@H](N2CCNC2=O)C1)[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663802 1201367784 /nfs/dbraw/zinc/36/77/84/1201367784.db2.gz XKSIHNDSUQGBLO-KURKYZTESA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000532663802 1201367785 /nfs/dbraw/zinc/36/77/85/1201367785.db2.gz XKSIHNDSUQGBLO-KURKYZTESA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1)N1CCC[C@H](N2CCNC2=O)C1 ZINC000532663802 1201367787 /nfs/dbraw/zinc/36/77/87/1201367787.db2.gz XKSIHNDSUQGBLO-KURKYZTESA-N 2 1 392.548 0.744 20 0 GCADMP CN(C)C(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351931 1201410339 /nfs/dbraw/zinc/41/03/39/1201410339.db2.gz GXVDGGBEOWRQJJ-MLYOOKFZSA-N 2 1 392.544 0.354 20 0 GCADMP CN(C)C(=O)C[N@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)[C@@H]2C1 ZINC001084351931 1201410345 /nfs/dbraw/zinc/41/03/45/1201410345.db2.gz GXVDGGBEOWRQJJ-MLYOOKFZSA-N 2 1 392.544 0.354 20 0 GCADMP C[NH+](C)CCNC(=S)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000730950512 1201468510 /nfs/dbraw/zinc/46/85/10/1201468510.db2.gz PLAPWQMAIHKYBM-KRWDZBQOSA-N 2 1 377.558 0.910 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000733167306 1201579469 /nfs/dbraw/zinc/57/94/69/1201579469.db2.gz AUYKDRIURDZYDY-UHFFFAOYSA-N 2 1 394.560 0.940 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000735588748 1201694041 /nfs/dbraw/zinc/69/40/41/1201694041.db2.gz CKWXUGUKEQSPRR-CVEARBPZSA-N 2 1 390.484 0.675 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC000735597333 1201696276 /nfs/dbraw/zinc/69/62/76/1201696276.db2.gz WIGIEIRIKPIJTA-CVEARBPZSA-N 2 1 384.440 0.494 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC000735597333 1201696280 /nfs/dbraw/zinc/69/62/80/1201696280.db2.gz WIGIEIRIKPIJTA-CVEARBPZSA-N 2 1 384.440 0.494 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000745830735 1201891848 /nfs/dbraw/zinc/89/18/48/1201891848.db2.gz PNXLVZGFRLSFMK-WMZOPIPTSA-N 2 1 395.548 0.516 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103121227 1201917184 /nfs/dbraw/zinc/91/71/84/1201917184.db2.gz RPGOCIBEXHKVLZ-NSHGMRRFSA-N 2 1 394.560 0.887 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000103121227 1201917186 /nfs/dbraw/zinc/91/71/86/1201917186.db2.gz RPGOCIBEXHKVLZ-NSHGMRRFSA-N 2 1 394.560 0.887 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](C)CCC[NH+](C)C ZINC001169197925 1201936120 /nfs/dbraw/zinc/93/61/20/1201936120.db2.gz YALPHPBSKKYCHX-OAHLLOKOSA-N 2 1 378.521 0.876 20 0 GCADMP CC[NH+]1CCC([N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC1 ZINC001169255252 1201941014 /nfs/dbraw/zinc/94/10/14/1201941014.db2.gz OIRUOFVWPDBVSP-ZYSHUDEJSA-N 2 1 375.517 0.971 20 0 GCADMP CC[NH+]1CCC([N@H+]2CC[C@H]3CO[C@H](CNC(=O)c4cnn(C)c4)[C@H]3C2)CC1 ZINC001169255252 1201941017 /nfs/dbraw/zinc/94/10/17/1201941017.db2.gz OIRUOFVWPDBVSP-ZYSHUDEJSA-N 2 1 375.517 0.971 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397476 1201946225 /nfs/dbraw/zinc/94/62/25/1201946225.db2.gz OBCXAMSTABSCTB-FPSMNIFISA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397476 1201946228 /nfs/dbraw/zinc/94/62/28/1201946228.db2.gz OBCXAMSTABSCTB-FPSMNIFISA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CO1 ZINC001169397476 1201946230 /nfs/dbraw/zinc/94/62/30/1201946230.db2.gz OBCXAMSTABSCTB-FPSMNIFISA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CO1 ZINC001169397476 1201946231 /nfs/dbraw/zinc/94/62/31/1201946231.db2.gz OBCXAMSTABSCTB-FPSMNIFISA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398619 1201946284 /nfs/dbraw/zinc/94/62/84/1201946284.db2.gz SALNCVGGOFBVAA-ZJPYXAASSA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398619 1201946286 /nfs/dbraw/zinc/94/62/86/1201946286.db2.gz SALNCVGGOFBVAA-ZJPYXAASSA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398619 1201946288 /nfs/dbraw/zinc/94/62/88/1201946288.db2.gz SALNCVGGOFBVAA-ZJPYXAASSA-N 2 1 397.516 0.208 20 0 GCADMP CC(=O)N1CCC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001169609871 1201952745 /nfs/dbraw/zinc/95/27/45/1201952745.db2.gz LSFGIMZBMKYTMM-SFHVURJKSA-N 2 1 380.533 0.500 20 0 GCADMP CC(=O)N1CCC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001169609871 1201952746 /nfs/dbraw/zinc/95/27/46/1201952746.db2.gz LSFGIMZBMKYTMM-SFHVURJKSA-N 2 1 380.533 0.500 20 0 GCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCCN1C(=O)CNC1=O)C1CCC1 ZINC001109411698 1202040071 /nfs/dbraw/zinc/04/00/71/1202040071.db2.gz IKKOHZUQTRUNRU-PMPSAXMXSA-N 2 1 377.489 0.134 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O)C1CCC1 ZINC001109411698 1202040074 /nfs/dbraw/zinc/04/00/74/1202040074.db2.gz IKKOHZUQTRUNRU-PMPSAXMXSA-N 2 1 377.489 0.134 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O)C1CCC1 ZINC001109411698 1202040076 /nfs/dbraw/zinc/04/00/76/1202040076.db2.gz IKKOHZUQTRUNRU-PMPSAXMXSA-N 2 1 377.489 0.134 20 0 GCADMP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109419280 1202041888 /nfs/dbraw/zinc/04/18/88/1202041888.db2.gz MPUIEUBAGKJTGB-MHORFTMASA-N 2 1 378.517 0.441 20 0 GCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109419280 1202041890 /nfs/dbraw/zinc/04/18/90/1202041890.db2.gz MPUIEUBAGKJTGB-MHORFTMASA-N 2 1 378.517 0.441 20 0 GCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109419280 1202041893 /nfs/dbraw/zinc/04/18/93/1202041893.db2.gz MPUIEUBAGKJTGB-MHORFTMASA-N 2 1 378.517 0.441 20 0 GCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109419280 1202041894 /nfs/dbraw/zinc/04/18/94/1202041894.db2.gz MPUIEUBAGKJTGB-MHORFTMASA-N 2 1 378.517 0.441 20 0 GCADMP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109419279 1202041921 /nfs/dbraw/zinc/04/19/21/1202041921.db2.gz MPUIEUBAGKJTGB-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCOCC1 ZINC001109419279 1202041923 /nfs/dbraw/zinc/04/19/23/1202041923.db2.gz MPUIEUBAGKJTGB-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOCC1 ZINC001109419279 1202041924 /nfs/dbraw/zinc/04/19/24/1202041924.db2.gz MPUIEUBAGKJTGB-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP C[NH+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOCC1 ZINC001109419279 1202041925 /nfs/dbraw/zinc/04/19/25/1202041925.db2.gz MPUIEUBAGKJTGB-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+](CC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000769221072 1202051332 /nfs/dbraw/zinc/05/13/32/1202051332.db2.gz RRRIYHPQGKLFTM-UHFFFAOYSA-N 2 1 398.548 0.939 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CCC[NH+]1CCC3)C2 ZINC001109485176 1202061550 /nfs/dbraw/zinc/06/15/50/1202061550.db2.gz OBLIGRUBFNUGOY-SQNIBIBYSA-N 2 1 378.517 0.489 20 0 GCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655506 1202099323 /nfs/dbraw/zinc/09/93/23/1202099323.db2.gz ZBUYMECNQIEMQS-UKMLZYKCSA-N 2 1 379.505 0.426 20 0 GCADMP C[C@@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655506 1202099326 /nfs/dbraw/zinc/09/93/26/1202099326.db2.gz ZBUYMECNQIEMQS-UKMLZYKCSA-N 2 1 379.505 0.426 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000770580933 1202103821 /nfs/dbraw/zinc/10/38/21/1202103821.db2.gz DKUDDLJKBVJLFQ-HKUYNNGSSA-N 2 1 381.565 0.955 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2 ZINC001109724466 1202110322 /nfs/dbraw/zinc/11/03/22/1202110322.db2.gz ULLQSQWJZGDBPM-SQNIBIBYSA-N 2 1 382.549 0.839 20 0 GCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724466 1202110325 /nfs/dbraw/zinc/11/03/25/1202110325.db2.gz ULLQSQWJZGDBPM-SQNIBIBYSA-N 2 1 382.549 0.839 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001109724466 1202110326 /nfs/dbraw/zinc/11/03/26/1202110326.db2.gz ULLQSQWJZGDBPM-SQNIBIBYSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001109734403 1202114682 /nfs/dbraw/zinc/11/46/82/1202114682.db2.gz QBHUMNJCHAFOMK-QPSCCSFWSA-N 2 1 379.505 0.379 20 0 GCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001109734403 1202114683 /nfs/dbraw/zinc/11/46/83/1202114683.db2.gz QBHUMNJCHAFOMK-QPSCCSFWSA-N 2 1 379.505 0.379 20 0 GCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733555 1202114765 /nfs/dbraw/zinc/11/47/65/1202114765.db2.gz VHADEJIPDLZAIO-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733555 1202114767 /nfs/dbraw/zinc/11/47/67/1202114767.db2.gz VHADEJIPDLZAIO-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCn1cncn1 ZINC001109843356 1202133884 /nfs/dbraw/zinc/13/38/84/1202133884.db2.gz HNGXLPAXQKNTBV-SQNIBIBYSA-N 2 1 376.505 0.502 20 0 GCADMP O=C(CCCC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001109843356 1202133887 /nfs/dbraw/zinc/13/38/87/1202133887.db2.gz HNGXLPAXQKNTBV-SQNIBIBYSA-N 2 1 376.505 0.502 20 0 GCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)C2CC2)CC1 ZINC001109902468 1202146465 /nfs/dbraw/zinc/14/64/65/1202146465.db2.gz KSIVCNMLKSTLRZ-NJAFHUGGSA-N 2 1 378.517 0.345 20 0 GCADMP C[NH+]1CCC(OCC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)C2CC2)CC1 ZINC001109902468 1202146468 /nfs/dbraw/zinc/14/64/68/1202146468.db2.gz KSIVCNMLKSTLRZ-NJAFHUGGSA-N 2 1 378.517 0.345 20 0 GCADMP CCCC[C@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902525 1202146584 /nfs/dbraw/zinc/14/65/84/1202146584.db2.gz OCHMGQMKUJKADB-LAVFITLUSA-N 2 1 380.533 0.863 20 0 GCADMP CCCC[C@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902525 1202146585 /nfs/dbraw/zinc/14/65/85/1202146585.db2.gz OCHMGQMKUJKADB-LAVFITLUSA-N 2 1 380.533 0.863 20 0 GCADMP CN1CCC[C@@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902469 1202146665 /nfs/dbraw/zinc/14/66/65/1202146665.db2.gz KTYPBYCHVZFGFW-LAVFITLUSA-N 2 1 378.517 0.440 20 0 GCADMP CN1CCC[C@@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902469 1202146666 /nfs/dbraw/zinc/14/66/66/1202146666.db2.gz KTYPBYCHVZFGFW-LAVFITLUSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001109918354 1202148514 /nfs/dbraw/zinc/14/85/14/1202148514.db2.gz CSBPPFTWUFVMSO-UKMLZYKCSA-N 2 1 379.505 0.412 20 0 GCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001109918354 1202148515 /nfs/dbraw/zinc/14/85/15/1202148515.db2.gz CSBPPFTWUFVMSO-UKMLZYKCSA-N 2 1 379.505 0.412 20 0 GCADMP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771766100 1202161840 /nfs/dbraw/zinc/16/18/40/1202161840.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766100 1202161843 /nfs/dbraw/zinc/16/18/43/1202161843.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766100 1202161844 /nfs/dbraw/zinc/16/18/44/1202161844.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766100 1202161847 /nfs/dbraw/zinc/16/18/47/1202161847.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766100 1202161849 /nfs/dbraw/zinc/16/18/49/1202161849.db2.gz QIZGTJPNXMXJRI-GBESFXJTSA-N 2 1 379.549 0.660 20 0 GCADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979727 1202165654 /nfs/dbraw/zinc/16/56/54/1202165654.db2.gz AWFSOZIZOIOZHO-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109979727 1202165655 /nfs/dbraw/zinc/16/56/55/1202165655.db2.gz AWFSOZIZOIOZHO-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CC(C)(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982739 1202168397 /nfs/dbraw/zinc/16/83/97/1202168397.db2.gz PLXPQFVEKXGDJL-PMPSAXMXSA-N 2 1 377.533 0.901 20 0 GCADMP CC(C)(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982739 1202168400 /nfs/dbraw/zinc/16/84/00/1202168400.db2.gz PLXPQFVEKXGDJL-PMPSAXMXSA-N 2 1 377.533 0.901 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613629 1205395076 /nfs/dbraw/zinc/39/50/76/1205395076.db2.gz AUOLLPGTNADBRJ-IPMKNSEASA-N 2 1 394.560 0.839 20 0 GCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688602 1205398844 /nfs/dbraw/zinc/39/88/44/1205398844.db2.gz KAWQQFXJSAHBPC-QZTJIDSGSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688602 1205398848 /nfs/dbraw/zinc/39/88/48/1205398848.db2.gz KAWQQFXJSAHBPC-QZTJIDSGSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CCCCC1 ZINC000787688602 1205398851 /nfs/dbraw/zinc/39/88/51/1205398851.db2.gz KAWQQFXJSAHBPC-QZTJIDSGSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787910565 1205407030 /nfs/dbraw/zinc/40/70/30/1205407030.db2.gz ONZYQTSVHOUDJC-KURKYZTESA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787910565 1205407033 /nfs/dbraw/zinc/40/70/33/1205407033.db2.gz ONZYQTSVHOUDJC-KURKYZTESA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787910565 1205407035 /nfs/dbraw/zinc/40/70/35/1205407035.db2.gz ONZYQTSVHOUDJC-KURKYZTESA-N 2 1 380.533 0.594 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000787913019 1205407990 /nfs/dbraw/zinc/40/79/90/1205407990.db2.gz ULNCGLPRNUEGQI-GOSISDBHSA-N 2 1 381.565 0.511 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000788101163 1205413133 /nfs/dbraw/zinc/41/31/33/1205413133.db2.gz NYFDEHILXRHRES-INIZCTEOSA-N 2 1 395.548 0.084 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372379 1205463726 /nfs/dbraw/zinc/46/37/26/1205463726.db2.gz VSMYCCVMMVDFRR-UYAOXDASSA-N 2 1 377.533 0.572 20 0 GCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNc2[nH+]c(N3CCOCC3)nc3[nH]ccc32)O1 ZINC001170270409 1205490238 /nfs/dbraw/zinc/49/02/38/1205490238.db2.gz ISVIYZJENRYLIZ-CKEIUWERSA-N 2 1 376.461 0.931 20 0 GCADMP Cn1ccccc1=[N+]([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389498 1205491382 /nfs/dbraw/zinc/49/13/82/1205491382.db2.gz QZBYNZAHYQAYEU-QAGGRKNESA-N 3 1 381.541 0.785 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747113045 1205498372 /nfs/dbraw/zinc/49/83/72/1205498372.db2.gz QXNNXVGBXYVDLS-IRXDYDNUSA-N 2 1 398.548 0.796 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000747113045 1205498373 /nfs/dbraw/zinc/49/83/73/1205498373.db2.gz QXNNXVGBXYVDLS-IRXDYDNUSA-N 2 1 398.548 0.796 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000793720788 1205503454 /nfs/dbraw/zinc/50/34/54/1205503454.db2.gz HRJLZRHOYMQAAE-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000793720788 1205503457 /nfs/dbraw/zinc/50/34/57/1205503457.db2.gz HRJLZRHOYMQAAE-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000793803896 1205506507 /nfs/dbraw/zinc/50/65/07/1205506507.db2.gz CUBHEFHENSJPPT-KRWDZBQOSA-N 2 1 382.468 0.792 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000793803896 1205506508 /nfs/dbraw/zinc/50/65/08/1205506508.db2.gz CUBHEFHENSJPPT-KRWDZBQOSA-N 2 1 382.468 0.792 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)c1 ZINC000793872027 1205508421 /nfs/dbraw/zinc/50/84/21/1205508421.db2.gz WRDMURGCGTUVHR-RTBURBONSA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000793872027 1205508422 /nfs/dbraw/zinc/50/84/22/1205508422.db2.gz WRDMURGCGTUVHR-RTBURBONSA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000793872027 1205508423 /nfs/dbraw/zinc/50/84/23/1205508423.db2.gz WRDMURGCGTUVHR-RTBURBONSA-N 2 1 388.512 0.734 20 0 GCADMP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@@H]2C1 ZINC000793935073 1205509896 /nfs/dbraw/zinc/50/98/96/1205509896.db2.gz JPTJXIHJLULJLF-FGTMMUONSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@@H]2C1 ZINC000793935073 1205509897 /nfs/dbraw/zinc/50/98/97/1205509897.db2.gz JPTJXIHJLULJLF-FGTMMUONSA-N 2 1 378.517 0.110 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000806210527 1205551675 /nfs/dbraw/zinc/55/16/75/1205551675.db2.gz SLHUPVOBVFSGQP-RYRKJORJSA-N 2 1 379.549 0.260 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC000806210527 1205551676 /nfs/dbraw/zinc/55/16/76/1205551676.db2.gz SLHUPVOBVFSGQP-RYRKJORJSA-N 2 1 379.549 0.260 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000806210529 1205551758 /nfs/dbraw/zinc/55/17/58/1205551758.db2.gz SLHUPVOBVFSGQP-XYJFISCASA-N 2 1 379.549 0.260 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC000806210529 1205551759 /nfs/dbraw/zinc/55/17/59/1205551759.db2.gz SLHUPVOBVFSGQP-XYJFISCASA-N 2 1 379.549 0.260 20 0 GCADMP CCCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130593381 1205554245 /nfs/dbraw/zinc/55/42/45/1205554245.db2.gz ZJLCZGXVDNDKHB-XLMAVXFVSA-N 2 1 390.532 0.171 20 0 GCADMP CCOC(=O)C1=C(Nc2ncccc2C(=O)NCCC[NH+](C)C)CC[NH2+]C1 ZINC001170513852 1205569120 /nfs/dbraw/zinc/56/91/20/1205569120.db2.gz DEXWOFVCWWXDLN-UHFFFAOYSA-N 2 1 375.473 0.986 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000809440164 1205624649 /nfs/dbraw/zinc/62/46/49/1205624649.db2.gz DZCNEVZKLPAPRS-IEBWSBKVSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000809440164 1205624650 /nfs/dbraw/zinc/62/46/50/1205624650.db2.gz DZCNEVZKLPAPRS-IEBWSBKVSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000809440167 1205624695 /nfs/dbraw/zinc/62/46/95/1205624695.db2.gz DZCNEVZKLPAPRS-PKOBYXMFSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CCc1ccccc1)CC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000809440167 1205624698 /nfs/dbraw/zinc/62/46/98/1205624698.db2.gz DZCNEVZKLPAPRS-PKOBYXMFSA-N 2 1 390.528 0.455 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000809441638 1205625019 /nfs/dbraw/zinc/62/50/19/1205625019.db2.gz HZEXFVBYAZSPOP-QAPCUYQASA-N 2 1 376.501 0.542 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000809441638 1205625021 /nfs/dbraw/zinc/62/50/21/1205625021.db2.gz HZEXFVBYAZSPOP-QAPCUYQASA-N 2 1 376.501 0.542 20 0 GCADMP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000809970194 1205632065 /nfs/dbraw/zinc/63/20/65/1205632065.db2.gz QDWROWPQMOOVMZ-SFHVURJKSA-N 2 1 387.521 0.421 20 0 GCADMP COC(=O)CC[C@@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761750 1205657271 /nfs/dbraw/zinc/65/72/71/1205657271.db2.gz UEGGCFJIZWYNDM-DNVCBOLYSA-N 2 1 380.489 0.871 20 0 GCADMP CNC(=O)Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001086700349 1205660118 /nfs/dbraw/zinc/66/01/18/1205660118.db2.gz MHRDZOHFKUEABA-LXTVHRRPSA-N 2 1 392.504 0.073 20 0 GCADMP CNC(=O)Cc1noc(C[NH2+][C@@H]2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)n1 ZINC001086700349 1205660119 /nfs/dbraw/zinc/66/01/19/1205660119.db2.gz MHRDZOHFKUEABA-LXTVHRRPSA-N 2 1 392.504 0.073 20 0 GCADMP CCCCNC(=O)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747803443 1205667383 /nfs/dbraw/zinc/66/73/83/1205667383.db2.gz RVWTWEPSHZLGGH-OAHLLOKOSA-N 2 1 379.505 0.588 20 0 GCADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747803443 1205667384 /nfs/dbraw/zinc/66/73/84/1205667384.db2.gz RVWTWEPSHZLGGH-OAHLLOKOSA-N 2 1 379.505 0.588 20 0 GCADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747802535 1205667465 /nfs/dbraw/zinc/66/74/65/1205667465.db2.gz ZSTRGIHNAGGQCR-CVEARBPZSA-N 2 1 393.532 0.977 20 0 GCADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000747802535 1205667467 /nfs/dbraw/zinc/66/74/67/1205667467.db2.gz ZSTRGIHNAGGQCR-CVEARBPZSA-N 2 1 393.532 0.977 20 0 GCADMP O=C(CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296862 1205689178 /nfs/dbraw/zinc/68/91/78/1205689178.db2.gz MLKJNZSVSCYHJT-IAGOWNOFSA-N 2 1 381.521 0.141 20 0 GCADMP O=C(CNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296864 1205689252 /nfs/dbraw/zinc/68/92/52/1205689252.db2.gz MLKJNZSVSCYHJT-SJORKVTESA-N 2 1 381.521 0.141 20 0 GCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001110161526 1205707543 /nfs/dbraw/zinc/70/75/43/1205707543.db2.gz IERFKQURGGNLOE-VSZNYVQBSA-N 2 1 377.533 0.854 20 0 GCADMP CC(C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O)[NH+]1CCCC1 ZINC001110161526 1205707545 /nfs/dbraw/zinc/70/75/45/1205707545.db2.gz IERFKQURGGNLOE-VSZNYVQBSA-N 2 1 377.533 0.854 20 0 GCADMP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000773327642 1205707633 /nfs/dbraw/zinc/70/76/33/1205707633.db2.gz DJUFGCFTXDZVOZ-GOSISDBHSA-N 2 1 380.489 0.871 20 0 GCADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000773327642 1205707634 /nfs/dbraw/zinc/70/76/34/1205707634.db2.gz DJUFGCFTXDZVOZ-GOSISDBHSA-N 2 1 380.489 0.871 20 0 GCADMP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C3C[C@@H]4COC[C@H](C3)[N@@H+]4C)C2)CC1 ZINC001172140569 1205713239 /nfs/dbraw/zinc/71/32/39/1205713239.db2.gz WQJYCURUVFLTKY-UMQXSMKFSA-N 2 1 388.560 0.424 20 0 GCADMP CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C3C[C@@H]4COC[C@H](C3)[N@H+]4C)C2)CC1 ZINC001172140569 1205713240 /nfs/dbraw/zinc/71/32/40/1205713240.db2.gz WQJYCURUVFLTKY-UMQXSMKFSA-N 2 1 388.560 0.424 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172172361 1205713503 /nfs/dbraw/zinc/71/35/03/1205713503.db2.gz PKFBMHSYKFKLIK-KGLIPLIRSA-N 2 1 375.473 0.478 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172172361 1205713504 /nfs/dbraw/zinc/71/35/04/1205713504.db2.gz PKFBMHSYKFKLIK-KGLIPLIRSA-N 2 1 375.473 0.478 20 0 GCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251043 1205715124 /nfs/dbraw/zinc/71/51/24/1205715124.db2.gz LEVHZSBTKLMKKC-ICSRJNTNSA-N 2 1 383.533 0.873 20 0 GCADMP CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251043 1205715125 /nfs/dbraw/zinc/71/51/25/1205715125.db2.gz LEVHZSBTKLMKKC-ICSRJNTNSA-N 2 1 383.533 0.873 20 0 GCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@@H+](C3CC[NH+](CCCOC)CC3)C2)C1 ZINC001172250820 1205715221 /nfs/dbraw/zinc/71/52/21/1205715221.db2.gz HVKXMBBBVOESSC-NRFANRHFSA-N 2 1 396.576 0.648 20 0 GCADMP CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C3CC[NH+](CCCOC)CC3)C2)C1 ZINC001172250820 1205715223 /nfs/dbraw/zinc/71/52/23/1205715223.db2.gz HVKXMBBBVOESSC-NRFANRHFSA-N 2 1 396.576 0.648 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755948 1205727472 /nfs/dbraw/zinc/72/74/72/1205727472.db2.gz XEBJLZQKGYTGBD-UONOGXRCSA-N 2 1 388.476 0.495 20 0 GCADMP CN(CCNC(=O)OC(C)(C)C)CCNC(=O)c1cc2n(n1)CCCN(C)C2 ZINC001175104529 1205734764 /nfs/dbraw/zinc/73/47/64/1205734764.db2.gz IQKXXMIVWAVOEM-UHFFFAOYSA-N 2 1 394.520 0.905 20 0 GCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190802 1205742582 /nfs/dbraw/zinc/74/25/82/1205742582.db2.gz QYBQKMXWPATBGO-WCVJEAGWSA-N 2 1 379.505 0.557 20 0 GCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+]1CCCC1)C2 ZINC001110190802 1205742583 /nfs/dbraw/zinc/74/25/83/1205742583.db2.gz QYBQKMXWPATBGO-WCVJEAGWSA-N 2 1 379.505 0.557 20 0 GCADMP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001176542504 1205748456 /nfs/dbraw/zinc/74/84/56/1205748456.db2.gz KYCYBQVGBJKBNQ-XHSDSOJGSA-N 2 1 384.521 0.499 20 0 GCADMP C[C@@](Cn1cccn1)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(N)=O ZINC001176860377 1205756887 /nfs/dbraw/zinc/75/68/87/1205756887.db2.gz MLVMHKFNZQKXJI-NRFANRHFSA-N 2 1 398.511 0.629 20 0 GCADMP Cn1nnc2c1CCN(C(=O)[C@H]1CCCC[N@H+]1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001178691657 1205792155 /nfs/dbraw/zinc/79/21/55/1205792155.db2.gz GJZFIXBVWLJXKU-QZTJIDSGSA-N 2 1 390.532 0.838 20 0 GCADMP C[NH+]1CCN(CC(=O)N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001178948881 1205797478 /nfs/dbraw/zinc/79/74/78/1205797478.db2.gz PHEIOVIUYFAHFO-KXBFYZLASA-N 2 1 377.464 0.322 20 0 GCADMP Cc1ccc(N(C(=O)CN2CC[NH+](C)CC2)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001178949799 1205797582 /nfs/dbraw/zinc/79/75/82/1205797582.db2.gz WXKPDDQTTRGFCX-PXNSSMCTSA-N 2 1 388.516 0.277 20 0 GCADMP C[NH+]1CCN(CC(=O)N(c2nccc(C(F)(F)F)n2)C2CC[NH2+]CC2)CC1 ZINC001178952164 1205797656 /nfs/dbraw/zinc/79/76/56/1205797656.db2.gz XMOIJYYCBZNBBV-UHFFFAOYSA-N 2 1 386.422 0.828 20 0 GCADMP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)CN3CC[NH+](C)CC3)CC2)c1 ZINC001178956450 1205797675 /nfs/dbraw/zinc/79/76/75/1205797675.db2.gz UHNOLFUHOUNSJZ-UHFFFAOYSA-N 2 1 388.512 0.801 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(C(=O)CN1CC[NH+](C(C)C)CC1)CC2 ZINC001180345440 1205821953 /nfs/dbraw/zinc/82/19/53/1205821953.db2.gz NJLNZDWCHSAVBF-UHFFFAOYSA-N 2 1 379.549 0.215 20 0 GCADMP COCC[NH+]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)OC)CC1 ZINC001180405039 1205824385 /nfs/dbraw/zinc/82/43/85/1205824385.db2.gz CFVKAURJHFEQFI-RBUKOAKNSA-N 2 1 389.496 0.698 20 0 GCADMP COCC[NH+]1CCN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(=O)OC)CC1 ZINC001180405039 1205824386 /nfs/dbraw/zinc/82/43/86/1205824386.db2.gz CFVKAURJHFEQFI-RBUKOAKNSA-N 2 1 389.496 0.698 20 0 GCADMP C[C@@H](C(=O)N([C@@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])N(C)C ZINC001180864972 1205834666 /nfs/dbraw/zinc/83/46/66/1205834666.db2.gz NNAQEGYZOBDUEW-KPKLZHCVSA-N 2 1 388.553 0.232 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001181978350 1205852489 /nfs/dbraw/zinc/85/24/89/1205852489.db2.gz OOJQRGPCEDARIG-CQSZACIVSA-N 2 1 377.489 0.581 20 0 GCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001182032833 1205853811 /nfs/dbraw/zinc/85/38/11/1205853811.db2.gz UYCGZWHWTGPRQK-SJLPKXTDSA-N 2 1 377.460 0.946 20 0 GCADMP C[NH+]1CCC(O)(C(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001182031665 1205854037 /nfs/dbraw/zinc/85/40/37/1205854037.db2.gz CLOXUDNFYCAPSY-CVEARBPZSA-N 2 1 396.532 0.501 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001185250106 1205918954 /nfs/dbraw/zinc/91/89/54/1205918954.db2.gz COINYZKNNMDSGK-KRWDZBQOSA-N 2 1 383.500 0.203 20 0 GCADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3C[N@H+](C)CCN3C)cc2)CC1 ZINC001185266774 1205920339 /nfs/dbraw/zinc/92/03/39/1205920339.db2.gz GAQUZVGUZHLJHO-RMFNQSEZSA-N 2 1 387.528 0.955 20 0 GCADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)[C@H]3C[N@@H+](C)CCN3C)cc2)CC1 ZINC001185266774 1205920341 /nfs/dbraw/zinc/92/03/41/1205920341.db2.gz GAQUZVGUZHLJHO-RMFNQSEZSA-N 2 1 387.528 0.955 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)Cc1ccccc1 ZINC000774925730 1205928570 /nfs/dbraw/zinc/92/85/70/1205928570.db2.gz VPMHOBPXWPIVRX-QYZOEREBSA-N 2 1 388.512 0.255 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000774925728 1205928696 /nfs/dbraw/zinc/92/86/96/1205928696.db2.gz VPMHOBPXWPIVRX-GBESFXJTSA-N 2 1 388.512 0.255 20 0 GCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001186038386 1205933630 /nfs/dbraw/zinc/93/36/30/1205933630.db2.gz PNMPEMYDOVSNTJ-XWSJACJDSA-N 2 1 388.516 0.046 20 0 GCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001186038386 1205933632 /nfs/dbraw/zinc/93/36/32/1205933632.db2.gz PNMPEMYDOVSNTJ-XWSJACJDSA-N 2 1 388.516 0.046 20 0 GCADMP O=C(C[NH+]1CC[C@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001186038386 1205933633 /nfs/dbraw/zinc/93/36/33/1205933633.db2.gz PNMPEMYDOVSNTJ-XWSJACJDSA-N 2 1 388.516 0.046 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044729 1205933752 /nfs/dbraw/zinc/93/37/52/1205933752.db2.gz JMTVREMTUQMLAA-IAGOWNOFSA-N 2 1 398.548 0.843 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044729 1205933754 /nfs/dbraw/zinc/93/37/54/1205933754.db2.gz JMTVREMTUQMLAA-IAGOWNOFSA-N 2 1 398.548 0.843 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044728 1205933908 /nfs/dbraw/zinc/93/39/08/1205933908.db2.gz JMTVREMTUQMLAA-DLBZAZTESA-N 2 1 398.548 0.843 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@H+]1CC[C@@H](O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044728 1205933909 /nfs/dbraw/zinc/93/39/09/1205933909.db2.gz JMTVREMTUQMLAA-DLBZAZTESA-N 2 1 398.548 0.843 20 0 GCADMP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC001186055085 1205934491 /nfs/dbraw/zinc/93/44/91/1205934491.db2.gz KLCGTGRLUDZNAB-GOSISDBHSA-N 2 1 375.469 0.620 20 0 GCADMP Cn1nnc2c1CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)[C@@H]2COCC[NH+]1CCCC1 ZINC001186354196 1205938584 /nfs/dbraw/zinc/93/85/84/1205938584.db2.gz ZTMFQHSLYCGKEJ-FUHWJXTLSA-N 2 1 390.532 0.695 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045502 1205945409 /nfs/dbraw/zinc/94/54/09/1205945409.db2.gz UGEXVJSQWUPUIS-GUDVDZBRSA-N 2 1 386.496 0.357 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[N@H+]1C ZINC001187958332 1205972220 /nfs/dbraw/zinc/97/22/20/1205972220.db2.gz QWSHHDJXWPICLL-YYIAUSFCSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[N@@H+]1C ZINC001187958332 1205972222 /nfs/dbraw/zinc/97/22/22/1205972222.db2.gz QWSHHDJXWPICLL-YYIAUSFCSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[N@H+]1C ZINC001187958332 1205972225 /nfs/dbraw/zinc/97/22/25/1205972225.db2.gz QWSHHDJXWPICLL-YYIAUSFCSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[NH+]1C ZINC001187958332 1205972227 /nfs/dbraw/zinc/97/22/27/1205972227.db2.gz QWSHHDJXWPICLL-YYIAUSFCSA-N 2 1 383.558 0.684 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4(CS(C)(=O)=O)CC4)C[C@H]32)CC[NH+]1C ZINC001187958332 1205972228 /nfs/dbraw/zinc/97/22/28/1205972228.db2.gz QWSHHDJXWPICLL-YYIAUSFCSA-N 2 1 383.558 0.684 20 0 GCADMP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417035 1206014793 /nfs/dbraw/zinc/01/47/93/1206014793.db2.gz GVWVGOBQBGKAIS-WCVJEAGWSA-N 2 1 381.521 0.136 20 0 GCADMP CN1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCNC(=O)NC(C)(C)C)C1 ZINC001110417035 1206014796 /nfs/dbraw/zinc/01/47/96/1206014796.db2.gz GVWVGOBQBGKAIS-WCVJEAGWSA-N 2 1 381.521 0.136 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000775434876 1206055029 /nfs/dbraw/zinc/05/50/29/1206055029.db2.gz JCIRYQFCPXPZNX-SJLPKXTDSA-N 2 1 396.532 0.909 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)[C@H](C)C1 ZINC000775434876 1206055035 /nfs/dbraw/zinc/05/50/35/1206055035.db2.gz JCIRYQFCPXPZNX-SJLPKXTDSA-N 2 1 396.532 0.909 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(n1)CC[NH2+]C3)CCC2 ZINC001164815453 720214220 /nfs/dbraw/zinc/21/42/20/720214220.db2.gz ZLEIUIJRNFKFCH-UHFFFAOYSA-N 2 1 383.500 0.930 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164741540 720609359 /nfs/dbraw/zinc/60/93/59/720609359.db2.gz LLPXPWGTRADVRZ-OLZOCXBDSA-N 2 1 387.875 0.908 20 0 GCADMP c1ncc(O[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)cn1 ZINC001164743763 720707741 /nfs/dbraw/zinc/70/77/41/720707741.db2.gz YEVVOGOAQGTIBQ-HZPDHXFCSA-N 2 1 382.472 0.018 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745812 720768652 /nfs/dbraw/zinc/76/86/52/720768652.db2.gz VWPROYGSYWMZFD-RDJZCZTQSA-N 2 1 397.483 0.739 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164855994 720858943 /nfs/dbraw/zinc/85/89/43/720858943.db2.gz NGLJLJLKXYCJOB-SJORKVTESA-N 2 1 376.505 0.060 20 0 GCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1 ZINC001164859303 720883572 /nfs/dbraw/zinc/88/35/72/720883572.db2.gz MNPDBRMYIDFOKN-QZTJIDSGSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@@H]2C1 ZINC001164859303 720883573 /nfs/dbraw/zinc/88/35/73/720883573.db2.gz MNPDBRMYIDFOKN-QZTJIDSGSA-N 2 1 390.532 0.402 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164765249 721092217 /nfs/dbraw/zinc/09/22/17/721092217.db2.gz ISQIVZBTTDRVQI-ROUUACIJSA-N 2 1 382.516 0.578 20 0 GCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164862833 721096066 /nfs/dbraw/zinc/09/60/66/721096066.db2.gz BBAZJHGPUGQPAP-RBUKOAKNSA-N 2 1 395.511 0.761 20 0 GCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884295 721453124 /nfs/dbraw/zinc/45/31/24/721453124.db2.gz AOZFGKDUFGOFFL-GHTZIAJQSA-N 2 1 386.544 0.929 20 0 GCADMP CO[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001571263796 945468398 /nfs/dbraw/zinc/46/83/98/945468398.db2.gz BFKVUFRGNNLQDG-BRWVUGGUSA-N 2 1 385.472 0.134 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571263796 945468403 /nfs/dbraw/zinc/46/84/03/945468403.db2.gz BFKVUFRGNNLQDG-BRWVUGGUSA-N 2 1 385.472 0.134 20 0 GCADMP CO[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571263796 945468407 /nfs/dbraw/zinc/46/84/07/945468407.db2.gz BFKVUFRGNNLQDG-BRWVUGGUSA-N 2 1 385.472 0.134 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283116 945875260 /nfs/dbraw/zinc/87/52/60/945875260.db2.gz ZMLLCBRRUOTMFQ-XEZPLFJOSA-N 2 1 387.463 0.942 20 0 GCADMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263784 949406968 /nfs/dbraw/zinc/40/69/68/949406968.db2.gz JMBPOAWBHXQXSR-TZMCWYRMSA-N 2 1 387.463 0.894 20 0 GCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263829 949410019 /nfs/dbraw/zinc/41/00/19/949410019.db2.gz JZJBXQNYNVMVDY-QWHCGFSZSA-N 2 1 387.463 0.894 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711826 949556737 /nfs/dbraw/zinc/55/67/37/949556737.db2.gz MRENOUYMJBLSBO-STQMWFEESA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574722736 949845363 /nfs/dbraw/zinc/84/53/63/949845363.db2.gz WLUOGOOAJKWMFP-OAHLLOKOSA-N 2 1 387.488 0.526 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)CC(C)(C)CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576192538 950254160 /nfs/dbraw/zinc/25/41/60/950254160.db2.gz NKGIMUOAMBJLGO-AWEZNQCLSA-N 2 1 386.504 0.922 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197452 950389185 /nfs/dbraw/zinc/38/91/85/950389185.db2.gz OKFPQQZKPXMDBS-GJZGRUSLSA-N 2 1 384.488 0.676 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204950 950488023 /nfs/dbraw/zinc/48/80/23/950488023.db2.gz DZFGNODELKYRGD-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001576204948 950489097 /nfs/dbraw/zinc/48/90/97/950489097.db2.gz DZFGNODELKYRGD-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)NCCC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576205707 950534674 /nfs/dbraw/zinc/53/46/74/950534674.db2.gz NEIBGUDUJAISQB-AWEZNQCLSA-N 2 1 384.488 0.724 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205840 950544304 /nfs/dbraw/zinc/54/43/04/950544304.db2.gz QFYVLGCISDKYPU-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576207439 950593380 /nfs/dbraw/zinc/59/33/80/950593380.db2.gz HWKVEQHWAXJIFD-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207681 950598647 /nfs/dbraw/zinc/59/86/47/950598647.db2.gz IHJXEYBUNCXJTN-ZDUSSCGKSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207681 950598668 /nfs/dbraw/zinc/59/86/68/950598668.db2.gz IHJXEYBUNCXJTN-ZDUSSCGKSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207681 950598681 /nfs/dbraw/zinc/59/86/81/950598681.db2.gz IHJXEYBUNCXJTN-ZDUSSCGKSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575077418 951668233 /nfs/dbraw/zinc/66/82/33/951668233.db2.gz CLURMTORVRUJHD-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079486 951693158 /nfs/dbraw/zinc/69/31/58/951693158.db2.gz PZADLYAMZKXDJZ-MLGOLLRUSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081708 951725113 /nfs/dbraw/zinc/72/51/13/951725113.db2.gz RTKFHYBAXPIOQW-OCCSQVGLSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082342 951732555 /nfs/dbraw/zinc/73/25/55/951732555.db2.gz XKQJFJOCSBHVGW-MLGOLLRUSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575091654 951781045 /nfs/dbraw/zinc/78/10/45/951781045.db2.gz TZOPZJJBLXDMNE-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP Cc1cc(NC2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252427 953328987 /nfs/dbraw/zinc/32/89/87/953328987.db2.gz MHPMJTDOOGDRQN-MQBCKMQZSA-N 2 1 384.488 0.926 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571252532 953329922 /nfs/dbraw/zinc/32/99/22/953329922.db2.gz OYDJWVTVLSRBDP-QLFBSQMISA-N 2 1 384.488 0.674 20 0 GCADMP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252721 953332236 /nfs/dbraw/zinc/33/22/36/953332236.db2.gz UZUUWFPXDHZZIL-CJNGLKHVSA-N 2 1 384.488 0.935 20 0 GCADMP C[N@H+]1CC[C@H](CC(=O)N[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)CC2(C)C)C1 ZINC001571252721 953332239 /nfs/dbraw/zinc/33/22/39/953332239.db2.gz UZUUWFPXDHZZIL-CJNGLKHVSA-N 2 1 384.488 0.935 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323552 530141940 /nfs/dbraw/zinc/14/19/40/530141940.db2.gz HKFRDNWIZPRUQF-CYBMUJFWSA-N 2 1 388.921 0.664 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323552 530141945 /nfs/dbraw/zinc/14/19/45/530141945.db2.gz HKFRDNWIZPRUQF-CYBMUJFWSA-N 2 1 388.921 0.664 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414323552 530141948 /nfs/dbraw/zinc/14/19/48/530141948.db2.gz HKFRDNWIZPRUQF-CYBMUJFWSA-N 2 1 388.921 0.664 20 0 GCADMP C[NH+](CC(=O)NCCCNC(=O)C[N@H+](C)[C@H]1CCSC1)[C@@H]1CCSC1 ZINC000583398208 530269882 /nfs/dbraw/zinc/26/98/82/530269882.db2.gz GHWPMCLGZHTXSJ-GASCZTMLSA-N 2 1 388.603 0.484 20 0 GCADMP C[NH+](CC(=O)NCCCNC(=O)C[N@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000583398208 530269883 /nfs/dbraw/zinc/26/98/83/530269883.db2.gz GHWPMCLGZHTXSJ-GASCZTMLSA-N 2 1 388.603 0.484 20 0 GCADMP C[NH+](CC(=O)NCCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1)[C@H]1CCSC1 ZINC000583398208 530269885 /nfs/dbraw/zinc/26/98/85/530269885.db2.gz GHWPMCLGZHTXSJ-GASCZTMLSA-N 2 1 388.603 0.484 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000522701204 530370935 /nfs/dbraw/zinc/37/09/35/530370935.db2.gz IRTQHKZZONOLEE-UHFFFAOYSA-N 2 1 381.483 0.795 20 0 GCADMP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000563620217 530527212 /nfs/dbraw/zinc/52/72/12/530527212.db2.gz JHDOHIBOOWRHMX-UHFFFAOYSA-N 2 1 395.301 0.618 20 0 GCADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000641803228 530786753 /nfs/dbraw/zinc/78/67/53/530786753.db2.gz BRZARJUCDLIOBP-YUELXQCFSA-N 2 1 385.555 0.979 20 0 GCADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420177591 530965854 /nfs/dbraw/zinc/96/58/54/530965854.db2.gz SKXGQXUWZPUNPB-UHFFFAOYSA-N 2 1 376.835 0.940 20 0 GCADMP C[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000419074918 530954549 /nfs/dbraw/zinc/95/45/49/530954549.db2.gz MNQXGWSTTNJQEW-GFCCVEGCSA-N 2 1 397.317 0.993 20 0 GCADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000262213376 530995925 /nfs/dbraw/zinc/99/59/25/530995925.db2.gz TXAWHAKOBQYOQZ-UHFFFAOYSA-N 2 1 384.278 0.536 20 0 GCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000262213376 530995928 /nfs/dbraw/zinc/99/59/28/530995928.db2.gz TXAWHAKOBQYOQZ-UHFFFAOYSA-N 2 1 384.278 0.536 20 0 GCADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801149 599077696 /nfs/dbraw/zinc/07/76/96/599077696.db2.gz QURQFAYQFUDGGN-UHFFFAOYSA-N 2 1 387.488 0.974 20 0 GCADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736801149 599077699 /nfs/dbraw/zinc/07/76/99/599077699.db2.gz QURQFAYQFUDGGN-UHFFFAOYSA-N 2 1 387.488 0.974 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736147290 598365763 /nfs/dbraw/zinc/36/57/63/598365763.db2.gz MFXNZFJTMKTHQK-GFCCVEGCSA-N 2 1 393.517 0.891 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736147290 598365765 /nfs/dbraw/zinc/36/57/65/598365765.db2.gz MFXNZFJTMKTHQK-GFCCVEGCSA-N 2 1 393.517 0.891 20 0 GCADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000736847286 598768417 /nfs/dbraw/zinc/76/84/17/598768417.db2.gz GEPVWMWWGBVQSY-INIZCTEOSA-N 2 1 383.456 0.772 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000826185079 609499357 /nfs/dbraw/zinc/49/93/57/609499357.db2.gz XRGPQFZTEIBVJR-HNNXBMFYSA-N 2 1 375.433 0.983 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000826185079 609499360 /nfs/dbraw/zinc/49/93/60/609499360.db2.gz XRGPQFZTEIBVJR-HNNXBMFYSA-N 2 1 375.433 0.983 20 0 GCADMP CN(CCS(=O)(=O)CC[N@H+](C)CC1(O)CCCC1)CC1(O)CCCC1 ZINC000152102556 639683111 /nfs/dbraw/zinc/68/31/11/639683111.db2.gz OVIQCPJHJGULLB-UHFFFAOYSA-N 2 1 376.563 0.875 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000919861159 639907971 /nfs/dbraw/zinc/90/79/71/639907971.db2.gz PNIXLLBABOQPGD-CYBMUJFWSA-N 2 1 384.527 0.692 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C1CCOCC1 ZINC000739953187 640201959 /nfs/dbraw/zinc/20/19/59/640201959.db2.gz GLMVDSCSACWKEL-KRWDZBQOSA-N 2 1 376.567 0.690 20 0 GCADMP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362586 642368403 /nfs/dbraw/zinc/36/84/03/642368403.db2.gz KHZVJCRUTMFSRQ-JKSUJKDBSA-N 2 1 375.535 0.018 20 0 GCADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362586 642368409 /nfs/dbraw/zinc/36/84/09/642368409.db2.gz KHZVJCRUTMFSRQ-JKSUJKDBSA-N 2 1 375.535 0.018 20 0 GCADMP [NH3+]Cc1nc(C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000663013170 1192184564 /nfs/dbraw/zinc/18/45/64/1192184564.db2.gz ABODBPTUPMNSMC-LBPRGKRZSA-N 2 1 375.502 0.754 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018135 1192185861 /nfs/dbraw/zinc/18/58/61/1192185861.db2.gz ORSWYKTWVKVBRW-RDJZCZTQSA-N 2 1 376.505 0.246 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018135 1192185864 /nfs/dbraw/zinc/18/58/64/1192185864.db2.gz ORSWYKTWVKVBRW-RDJZCZTQSA-N 2 1 376.505 0.246 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642743926 1192186601 /nfs/dbraw/zinc/18/66/01/1192186601.db2.gz FQDUIBPGGNAMPE-QGZVFWFLSA-N 2 1 387.528 0.653 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423396802 1192207509 /nfs/dbraw/zinc/20/75/09/1192207509.db2.gz SPQFQWYODZLJII-JOCHJYFZSA-N 2 1 399.539 0.622 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000663085047 1192208157 /nfs/dbraw/zinc/20/81/57/1192208157.db2.gz HBXVFZQEJSRDPM-GUYCJALGSA-N 2 1 396.463 0.540 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000663085047 1192208159 /nfs/dbraw/zinc/20/81/59/1192208159.db2.gz HBXVFZQEJSRDPM-GUYCJALGSA-N 2 1 396.463 0.540 20 0 GCADMP O=C(CN1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662160082 1192248028 /nfs/dbraw/zinc/24/80/28/1192248028.db2.gz MHUSCJVIESRXAO-NRFANRHFSA-N 2 1 386.540 0.862 20 0 GCADMP O=C(CN1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662160082 1192248031 /nfs/dbraw/zinc/24/80/31/1192248031.db2.gz MHUSCJVIESRXAO-NRFANRHFSA-N 2 1 386.540 0.862 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676513 1192256493 /nfs/dbraw/zinc/25/64/93/1192256493.db2.gz JHRKSUQHXDATOC-RBUKOAKNSA-N 2 1 388.512 0.522 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000652628207 1192258768 /nfs/dbraw/zinc/25/87/68/1192258768.db2.gz SEPPCBMLKZNQNI-INMHGKMJSA-N 2 1 398.467 0.951 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000500437438 1192259795 /nfs/dbraw/zinc/25/97/95/1192259795.db2.gz VPOOJTSRFQEEDE-IRXDYDNUSA-N 2 1 382.549 0.840 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000500437439 1192259949 /nfs/dbraw/zinc/25/99/49/1192259949.db2.gz VPOOJTSRFQEEDE-SJORKVTESA-N 2 1 382.549 0.840 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCc1cccnc1 ZINC000662337197 1192284315 /nfs/dbraw/zinc/28/43/15/1192284315.db2.gz JUPNGQSPDZDNKN-QGZVFWFLSA-N 2 1 383.500 0.710 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)NCc1cccnc1 ZINC000662337197 1192284319 /nfs/dbraw/zinc/28/43/19/1192284319.db2.gz JUPNGQSPDZDNKN-QGZVFWFLSA-N 2 1 383.500 0.710 20 0 GCADMP O=C(CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662338724 1192284969 /nfs/dbraw/zinc/28/49/69/1192284969.db2.gz UXGUWSXJQWXKQL-MRXNPFEDSA-N 2 1 376.505 0.248 20 0 GCADMP O=c1cc(C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)[nH]c2ccnn21 ZINC000662338768 1192285084 /nfs/dbraw/zinc/28/50/84/1192285084.db2.gz VUFDHPCQEHYMAT-AWEZNQCLSA-N 2 1 382.472 0.535 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000636732575 1192291562 /nfs/dbraw/zinc/29/15/62/1192291562.db2.gz JBYZSCKYLJGGLN-IBGZPJMESA-N 2 1 376.501 0.509 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000162575946 1192297797 /nfs/dbraw/zinc/29/77/97/1192297797.db2.gz SKICPJRIYNHECZ-SFHVURJKSA-N 2 1 379.549 0.214 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000663448906 1192340910 /nfs/dbraw/zinc/34/09/10/1192340910.db2.gz MGFCEUQCAYJSQY-PMPSAXMXSA-N 2 1 381.546 0.353 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000585716556 1192396717 /nfs/dbraw/zinc/39/67/17/1192396717.db2.gz IBTJTQLIHSMFCR-RTBURBONSA-N 2 1 393.576 0.461 20 0 GCADMP CS(=O)(=O)N1CCN(c2cccc(NCC[NH+]3CCSCC3)[nH+]2)CC1 ZINC001167834541 1192405138 /nfs/dbraw/zinc/40/51/38/1192405138.db2.gz JRERKKIKEWHSGE-UHFFFAOYSA-N 2 1 385.559 0.624 20 0 GCADMP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000512108367 1192449085 /nfs/dbraw/zinc/44/90/85/1192449085.db2.gz VSNFYPVBRGKCRD-MSOLQXFVSA-N 2 1 375.517 0.669 20 0 GCADMP COc1cccc(C(=O)N2CCC([NH2+]CCC[NH+](CCO)CCO)CC2)c1 ZINC001167847033 1192453826 /nfs/dbraw/zinc/45/38/26/1192453826.db2.gz PZCAOOBPENNAQT-UHFFFAOYSA-N 2 1 379.501 0.566 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279107713 1192467235 /nfs/dbraw/zinc/46/72/35/1192467235.db2.gz YARZYZPXAPTFHR-HZPDHXFCSA-N 2 1 383.500 0.822 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652678154 1192487708 /nfs/dbraw/zinc/48/77/08/1192487708.db2.gz VURMKTDJIPQZNS-XWSJACJDSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000279351076 1192528681 /nfs/dbraw/zinc/52/86/81/1192528681.db2.gz UAEOBRPJMIMPSA-HNNXBMFYSA-N 2 1 398.467 0.918 20 0 GCADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512250870 1192575072 /nfs/dbraw/zinc/57/50/72/1192575072.db2.gz WCRISMURGQFXKT-MRXNPFEDSA-N 2 1 392.500 0.722 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000637477405 1192591149 /nfs/dbraw/zinc/59/11/49/1192591149.db2.gz UAEUXESSJVGTKM-MSOLQXFVSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637477405 1192591152 /nfs/dbraw/zinc/59/11/52/1192591152.db2.gz UAEUXESSJVGTKM-MSOLQXFVSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000637477405 1192591157 /nfs/dbraw/zinc/59/11/57/1192591157.db2.gz UAEUXESSJVGTKM-MSOLQXFVSA-N 2 1 377.533 0.951 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000893700679 1192595303 /nfs/dbraw/zinc/59/53/03/1192595303.db2.gz ZSXAUAFXTLYUOI-YDZRNGNQSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893700679 1192595307 /nfs/dbraw/zinc/59/53/07/1192595307.db2.gz ZSXAUAFXTLYUOI-YDZRNGNQSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893700670 1192595436 /nfs/dbraw/zinc/59/54/36/1192595436.db2.gz ZSXAUAFXTLYUOI-HCXYKTFWSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893700670 1192595439 /nfs/dbraw/zinc/59/54/39/1192595439.db2.gz ZSXAUAFXTLYUOI-HCXYKTFWSA-N 2 1 380.533 0.870 20 0 GCADMP CC(C)OCC[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418617906 1192619317 /nfs/dbraw/zinc/61/93/17/1192619317.db2.gz NTEOJXASQFELPM-HNNXBMFYSA-N 2 1 395.470 0.575 20 0 GCADMP COC[C@@]1(CNC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000418633426 1192621785 /nfs/dbraw/zinc/62/17/85/1192621785.db2.gz IGJNBWAFDYQYHB-QUCCMNQESA-N 2 1 376.501 0.473 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC3([NH+](C)C)CCC3)CC2)C[C@H](C)O1 ZINC000500464015 1192622451 /nfs/dbraw/zinc/62/24/51/1192622451.db2.gz PDVNEVOTYPPMCN-CALCHBBNSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000418661650 1192625424 /nfs/dbraw/zinc/62/54/24/1192625424.db2.gz AUZHRKVNMXMNLZ-KYJSFNMBSA-N 2 1 395.548 0.120 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[NH+](C)C ZINC000418830796 1192658646 /nfs/dbraw/zinc/65/86/46/1192658646.db2.gz FWQPAAQTUPMTKB-XIRDDKMYSA-N 2 1 376.501 1.000 20 0 GCADMP C[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C[NH3+] ZINC000418830751 1192659605 /nfs/dbraw/zinc/65/96/05/1192659605.db2.gz JZGVWEZLXDCFKG-IRXDYDNUSA-N 2 1 380.533 0.724 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[NH+](C)C ZINC000418831497 1192659617 /nfs/dbraw/zinc/65/96/17/1192659617.db2.gz GKXFSTJKDQDFDB-BPUTZDHNSA-N 2 1 392.500 0.643 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000418836253 1192660836 /nfs/dbraw/zinc/66/08/36/1192660836.db2.gz QYHPWNKJTIJEOV-DLBZAZTESA-N 2 1 396.532 0.102 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[NH+](C)C ZINC000418850480 1192665937 /nfs/dbraw/zinc/66/59/37/1192665937.db2.gz NYXUMIBPTOHTNR-INIZCTEOSA-N 2 1 376.501 0.920 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+](C)C ZINC000418851390 1192666442 /nfs/dbraw/zinc/66/64/42/1192666442.db2.gz PQYFSZFADLPLLA-OXJNMPFZSA-N 2 1 376.501 0.920 20 0 GCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418857161 1192668702 /nfs/dbraw/zinc/66/87/02/1192668702.db2.gz YMQUVAOYMKFIAP-RHSMWYFYSA-N 2 1 396.919 0.944 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418856958 1192669009 /nfs/dbraw/zinc/66/90/09/1192669009.db2.gz XYJJCLVSMONQDE-NVXWUHKLSA-N 2 1 376.501 0.920 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000418857968 1192669653 /nfs/dbraw/zinc/66/96/53/1192669653.db2.gz UELXRHHXNCZZMN-OAHLLOKOSA-N 2 1 393.557 0.902 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418884215 1192678848 /nfs/dbraw/zinc/67/88/48/1192678848.db2.gz WLNRWIQZAXVXFP-ROUUACIJSA-N 2 1 376.501 0.503 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883607 1192679310 /nfs/dbraw/zinc/67/93/10/1192679310.db2.gz VGZZCEPLNQWPLB-AEFFLSMTSA-N 2 1 380.533 0.594 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418874813 1192674267 /nfs/dbraw/zinc/67/42/67/1192674267.db2.gz CJFGWAGXSHHECQ-MSOLQXFVSA-N 2 1 376.501 0.359 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418878951 1192674915 /nfs/dbraw/zinc/67/49/15/1192674915.db2.gz MOYXNOLSOBDHLL-KFKAGJAMSA-N 2 1 388.512 0.598 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@H]1C[NH3+] ZINC000418877801 1192675935 /nfs/dbraw/zinc/67/59/35/1192675935.db2.gz KJNYNXIUWGHEKY-ATZDWAIDSA-N 2 1 388.512 0.313 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000418914455 1192687476 /nfs/dbraw/zinc/68/74/76/1192687476.db2.gz FNEYUYMHBCHYRU-GBESFXJTSA-N 2 1 388.512 0.413 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958568 1192700657 /nfs/dbraw/zinc/70/06/57/1192700657.db2.gz GPNZSHZQGBRHAL-UKRRQHHQSA-N 2 1 378.473 0.105 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958568 1192700660 /nfs/dbraw/zinc/70/06/60/1192700660.db2.gz GPNZSHZQGBRHAL-UKRRQHHQSA-N 2 1 378.473 0.105 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957003 1192701870 /nfs/dbraw/zinc/70/18/70/1192701870.db2.gz DAETTYUIUVAJTK-HOTGVXAUSA-N 2 1 390.484 0.215 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957003 1192701876 /nfs/dbraw/zinc/70/18/76/1192701876.db2.gz DAETTYUIUVAJTK-HOTGVXAUSA-N 2 1 390.484 0.215 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960312 1192705493 /nfs/dbraw/zinc/70/54/93/1192705493.db2.gz INBONXWSAFHXBL-HOCLYGCPSA-N 2 1 392.500 0.366 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960312 1192705496 /nfs/dbraw/zinc/70/54/96/1192705496.db2.gz INBONXWSAFHXBL-HOCLYGCPSA-N 2 1 392.500 0.366 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965356 1192703915 /nfs/dbraw/zinc/70/39/15/1192703915.db2.gz OTALIAVAKOCOMO-CRAIPNDOSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965356 1192703920 /nfs/dbraw/zinc/70/39/20/1192703920.db2.gz OTALIAVAKOCOMO-CRAIPNDOSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971549 1192706414 /nfs/dbraw/zinc/70/64/14/1192706414.db2.gz YCDNQCKRPDNGEJ-CVEARBPZSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418971549 1192706420 /nfs/dbraw/zinc/70/64/20/1192706420.db2.gz YCDNQCKRPDNGEJ-CVEARBPZSA-N 2 1 390.484 0.344 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000418985241 1192709473 /nfs/dbraw/zinc/70/94/73/1192709473.db2.gz MTNFEGSRYVLOTG-JCGIZDLHSA-N 2 1 376.476 0.927 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960310 1192705709 /nfs/dbraw/zinc/70/57/09/1192705709.db2.gz INBONXWSAFHXBL-GDBMZVCRSA-N 2 1 392.500 0.366 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960310 1192705711 /nfs/dbraw/zinc/70/57/11/1192705711.db2.gz INBONXWSAFHXBL-GDBMZVCRSA-N 2 1 392.500 0.366 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])c1 ZINC000419013272 1192718078 /nfs/dbraw/zinc/71/80/78/1192718078.db2.gz ATKKKCLUNJVNTJ-ROUUACIJSA-N 2 1 376.501 0.719 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000419025640 1192727707 /nfs/dbraw/zinc/72/77/07/1192727707.db2.gz MLULUPOHFXPVNS-YYIAUSFCSA-N 2 1 382.549 0.824 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419033477 1192732040 /nfs/dbraw/zinc/73/20/40/1192732040.db2.gz CKPVVUAWVLHPAX-GUYCJALGSA-N 2 1 388.516 0.764 20 0 GCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410591557 1192735973 /nfs/dbraw/zinc/73/59/73/1192735973.db2.gz WDWLTHVPHJOFDX-KZNAEPCWSA-N 2 1 378.517 0.252 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)[C@H](C)C1 ZINC000419044360 1192737834 /nfs/dbraw/zinc/73/78/34/1192737834.db2.gz TWPKGAIIFXAXQC-BDXSIMOUSA-N 2 1 382.549 0.825 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000419043787 1192738909 /nfs/dbraw/zinc/73/89/09/1192738909.db2.gz RSQAUYZOTIWVEC-WMLDXEAASA-N 2 1 388.516 0.907 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419041563 1192740119 /nfs/dbraw/zinc/74/01/19/1192740119.db2.gz NPGXSWYAYFIQAW-RDJZCZTQSA-N 2 1 388.516 0.812 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000419046511 1192740719 /nfs/dbraw/zinc/74/07/19/1192740719.db2.gz YNHMOHZNVYARAX-UHFFFAOYSA-N 2 1 376.505 0.812 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)[C@H](C)C1 ZINC000419045052 1192741961 /nfs/dbraw/zinc/74/19/61/1192741961.db2.gz VNELYUUDEICUIJ-BCYZHJNNSA-N 2 1 394.560 0.825 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419054134 1192747860 /nfs/dbraw/zinc/74/78/60/1192747860.db2.gz GYBZHVUPKHXXNV-KBAYOESNSA-N 2 1 376.501 0.445 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419051135 1192748898 /nfs/dbraw/zinc/74/88/98/1192748898.db2.gz AVMJMPAYKVTESR-GUDVDZBRSA-N 2 1 388.512 0.508 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419050640 1192749353 /nfs/dbraw/zinc/74/93/53/1192749353.db2.gz AFBCVYREAPNAAC-IAGOWNOFSA-N 2 1 376.501 0.493 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419052459 1192750088 /nfs/dbraw/zinc/75/00/88/1192750088.db2.gz DFFBCDWQJVMCGX-CEXWTWQISA-N 2 1 390.528 0.739 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ccccc2Cl)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419064880 1192761607 /nfs/dbraw/zinc/76/16/07/1192761607.db2.gz CRJONZMACOHNRY-HNNXBMFYSA-N 2 1 393.919 0.446 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2)CCO1 ZINC000419069324 1192764858 /nfs/dbraw/zinc/76/48/58/1192764858.db2.gz ITGLKLFLSZGQHY-FCEWJHQRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)c2)CCO1 ZINC000419069324 1192764860 /nfs/dbraw/zinc/76/48/60/1192764860.db2.gz ITGLKLFLSZGQHY-FCEWJHQRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419070419 1192767038 /nfs/dbraw/zinc/76/70/38/1192767038.db2.gz JZVJSEKLSDRLFJ-GPMSIDNRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419070419 1192767041 /nfs/dbraw/zinc/76/70/41/1192767041.db2.gz JZVJSEKLSDRLFJ-GPMSIDNRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419078040 1192775817 /nfs/dbraw/zinc/77/58/17/1192775817.db2.gz SJMULZQRGPNSLO-HNNXBMFYSA-N 2 1 395.935 0.679 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419081962 1192777748 /nfs/dbraw/zinc/77/77/48/1192777748.db2.gz ZIHMQFUPULFYTI-INIZCTEOSA-N 2 1 376.501 0.639 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419081962 1192777750 /nfs/dbraw/zinc/77/77/50/1192777750.db2.gz ZIHMQFUPULFYTI-INIZCTEOSA-N 2 1 376.501 0.639 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419081607 1192777952 /nfs/dbraw/zinc/77/79/52/1192777952.db2.gz IGIKGAVPIWCMML-IYBDPMFKSA-N 2 1 382.549 0.839 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419081607 1192777954 /nfs/dbraw/zinc/77/79/54/1192777954.db2.gz IGIKGAVPIWCMML-IYBDPMFKSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000419086642 1192784514 /nfs/dbraw/zinc/78/45/14/1192784514.db2.gz OGYWWEZEAJAICK-IYBDPMFKSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000419086642 1192784518 /nfs/dbraw/zinc/78/45/18/1192784518.db2.gz OGYWWEZEAJAICK-IYBDPMFKSA-N 2 1 394.560 0.981 20 0 GCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100305 1192785683 /nfs/dbraw/zinc/78/56/83/1192785683.db2.gz PSSYUZBMNQLSCT-LSDHHAIUSA-N 2 1 384.402 0.956 20 0 GCADMP [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100305 1192785687 /nfs/dbraw/zinc/78/56/87/1192785687.db2.gz PSSYUZBMNQLSCT-LSDHHAIUSA-N 2 1 384.402 0.956 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419102756 1192791567 /nfs/dbraw/zinc/79/15/67/1192791567.db2.gz JJHNUDGBLHPXKE-KRWDZBQOSA-N 2 1 376.501 0.183 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCN(C)CC1 ZINC000419122430 1192794683 /nfs/dbraw/zinc/79/46/83/1192794683.db2.gz FZTLGTROGJRMKK-IAGOWNOFSA-N 2 1 381.565 0.269 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419123745 1192795879 /nfs/dbraw/zinc/79/58/79/1192795879.db2.gz WFOODUIJVHWUBE-RDGPPVDQSA-N 2 1 394.560 0.825 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419114722 1192800963 /nfs/dbraw/zinc/80/09/63/1192800963.db2.gz SIGUHFKXZVTEDG-KBAYOESNSA-N 2 1 376.501 0.588 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419131505 1192805719 /nfs/dbraw/zinc/80/57/19/1192805719.db2.gz AGXFFFHPFNOSOI-AEFFLSMTSA-N 2 1 376.501 0.508 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161878 1192820438 /nfs/dbraw/zinc/82/04/38/1192820438.db2.gz FLYOSSSQSQOQRU-NEWSRXKRSA-N 2 1 388.512 0.650 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161667 1192820815 /nfs/dbraw/zinc/82/08/15/1192820815.db2.gz FAUFSADPXUNKHF-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419164130 1192821423 /nfs/dbraw/zinc/82/14/23/1192821423.db2.gz LIIAUVZIEHWYQT-OTWHNJEPSA-N 2 1 386.496 0.072 20 0 GCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419165302 1192822326 /nfs/dbraw/zinc/82/23/26/1192822326.db2.gz NILSWADMZLPTFD-MJGOQNOKSA-N 2 1 388.512 0.510 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)[NH2+]1 ZINC000419166088 1192822356 /nfs/dbraw/zinc/82/23/56/1192822356.db2.gz OFOPWQVMZFHZKP-ZHALLVOQSA-N 2 1 388.512 0.603 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419169671 1192824650 /nfs/dbraw/zinc/82/46/50/1192824650.db2.gz VALZIDQFFPTVHT-ROUUACIJSA-N 2 1 376.501 0.493 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419169670 1192825147 /nfs/dbraw/zinc/82/51/47/1192825147.db2.gz VALZIDQFFPTVHT-QZTJIDSGSA-N 2 1 376.501 0.493 20 0 GCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419171178 1192825601 /nfs/dbraw/zinc/82/56/01/1192825601.db2.gz XEIDPIWNIIXEPS-LJQANCHMSA-N 2 1 388.512 0.591 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419167985 1192829690 /nfs/dbraw/zinc/82/96/90/1192829690.db2.gz RFIUOXIMFNAYCR-MOPGFXCFSA-N 2 1 388.512 0.652 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419196005 1192832977 /nfs/dbraw/zinc/83/29/77/1192832977.db2.gz AEFWIUKVPMTHDX-QFBILLFUSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196020 1192833096 /nfs/dbraw/zinc/83/30/96/1192833096.db2.gz AGWKSLIEDLBJJT-VQIMIIECSA-N 2 1 388.512 0.639 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181051 1192833874 /nfs/dbraw/zinc/83/38/74/1192833874.db2.gz KLOLVNHWCZUCRF-ROUUACIJSA-N 2 1 393.576 0.509 20 0 GCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000410701002 1192840212 /nfs/dbraw/zinc/84/02/12/1192840212.db2.gz UOXRATHTNFVMES-QGZVFWFLSA-N 2 1 389.500 0.537 20 0 GCADMP COc1c[nH+]ccc1N1CCN(C(=O)C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)CC1 ZINC000410701002 1192840219 /nfs/dbraw/zinc/84/02/19/1192840219.db2.gz UOXRATHTNFVMES-QGZVFWFLSA-N 2 1 389.500 0.537 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419197166 1192837227 /nfs/dbraw/zinc/83/72/27/1192837227.db2.gz XSOJDGXLBFSLAH-QFBILLFUSA-N 2 1 388.512 0.863 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000410699120 1192842015 /nfs/dbraw/zinc/84/20/15/1192842015.db2.gz PEANTNZOGOFKFU-QRVBRYPASA-N 2 1 393.576 0.269 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000410699120 1192842020 /nfs/dbraw/zinc/84/20/20/1192842020.db2.gz PEANTNZOGOFKFU-QRVBRYPASA-N 2 1 393.576 0.269 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205572 1192852022 /nfs/dbraw/zinc/85/20/22/1192852022.db2.gz JGUMATPUNZCJSF-RYQLBKOJSA-N 2 1 388.512 0.996 20 0 GCADMP CN1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740870 1192846802 /nfs/dbraw/zinc/84/68/02/1192846802.db2.gz MHPIDIATJWGCES-RBUKOAKNSA-N 2 1 381.565 0.643 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410724706 1192854119 /nfs/dbraw/zinc/85/41/19/1192854119.db2.gz LNUUXRDLVPHCSX-IKGGRYGDSA-N 2 1 382.549 0.621 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410724706 1192854124 /nfs/dbraw/zinc/85/41/24/1192854124.db2.gz LNUUXRDLVPHCSX-IKGGRYGDSA-N 2 1 382.549 0.621 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410724706 1192854134 /nfs/dbraw/zinc/85/41/34/1192854134.db2.gz LNUUXRDLVPHCSX-IKGGRYGDSA-N 2 1 382.549 0.621 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410724706 1192854142 /nfs/dbraw/zinc/85/41/42/1192854142.db2.gz LNUUXRDLVPHCSX-IKGGRYGDSA-N 2 1 382.549 0.621 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@H]1C ZINC000410724706 1192854149 /nfs/dbraw/zinc/85/41/49/1192854149.db2.gz LNUUXRDLVPHCSX-IKGGRYGDSA-N 2 1 382.549 0.621 20 0 GCADMP C[NH+]1CC[C@@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964769 1192884837 /nfs/dbraw/zinc/88/48/37/1192884837.db2.gz USPLXJJIEKTCHG-LEWJYISDSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964769 1192884844 /nfs/dbraw/zinc/88/48/44/1192884844.db2.gz USPLXJJIEKTCHG-LEWJYISDSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964769 1192884851 /nfs/dbraw/zinc/88/48/51/1192884851.db2.gz USPLXJJIEKTCHG-LEWJYISDSA-N 2 1 399.543 0.640 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419209903 1192895308 /nfs/dbraw/zinc/89/53/08/1192895308.db2.gz XDFIIDAWNIZZBJ-BHIYHBOVSA-N 2 1 390.528 0.978 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@H]43)CC2)CCO1 ZINC000410779712 1192901307 /nfs/dbraw/zinc/90/13/07/1192901307.db2.gz MDJPNSXXNDVWMC-ZHALLVOQSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC2)CCO1 ZINC000410779712 1192901309 /nfs/dbraw/zinc/90/13/09/1192901309.db2.gz MDJPNSXXNDVWMC-ZHALLVOQSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC2)CCO1 ZINC000410779712 1192901311 /nfs/dbraw/zinc/90/13/11/1192901311.db2.gz MDJPNSXXNDVWMC-ZHALLVOQSA-N 2 1 392.544 0.641 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000419213980 1192907218 /nfs/dbraw/zinc/90/72/18/1192907218.db2.gz LWZKAOUSCAEMGM-FCEWJHQRSA-N 2 1 388.512 0.732 20 0 GCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C(C)C ZINC000410937402 1192917758 /nfs/dbraw/zinc/91/77/58/1192917758.db2.gz KNMZFMPJKPXCRJ-QGZVFWFLSA-N 2 1 384.565 0.867 20 0 GCADMP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C(C)C ZINC000410937402 1192917760 /nfs/dbraw/zinc/91/77/60/1192917760.db2.gz KNMZFMPJKPXCRJ-QGZVFWFLSA-N 2 1 384.565 0.867 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419217751 1192919052 /nfs/dbraw/zinc/91/90/52/1192919052.db2.gz QVPFFZBAGQDEFW-MRXNPFEDSA-N 2 1 376.501 0.314 20 0 GCADMP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410972646 1192921538 /nfs/dbraw/zinc/92/15/38/1192921538.db2.gz HREYDHPJDGJVIO-IRXDYDNUSA-N 2 1 380.533 0.356 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410972646 1192921540 /nfs/dbraw/zinc/92/15/40/1192921540.db2.gz HREYDHPJDGJVIO-IRXDYDNUSA-N 2 1 380.533 0.356 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000579714610 1184103161 /nfs/dbraw/zinc/10/31/61/1184103161.db2.gz HBKPYJQSKAUMAO-HUUCEWRRSA-N 2 1 380.514 0.984 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1 ZINC000654730177 1184109927 /nfs/dbraw/zinc/10/99/27/1184109927.db2.gz MNONUMVAQYVSNR-RCCFBDPRSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654730177 1184109929 /nfs/dbraw/zinc/10/99/29/1184109929.db2.gz MNONUMVAQYVSNR-RCCFBDPRSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654730177 1184109931 /nfs/dbraw/zinc/10/99/31/1184109931.db2.gz MNONUMVAQYVSNR-RCCFBDPRSA-N 2 1 377.533 0.951 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)CC[NH+]1C ZINC000683120090 1184134018 /nfs/dbraw/zinc/13/40/18/1184134018.db2.gz BQEAHXVQVJRHAE-ROUUACIJSA-N 2 1 382.549 0.600 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654799674 1184144852 /nfs/dbraw/zinc/14/48/52/1184144852.db2.gz UILJOXMSGKZJAU-MOPGFXCFSA-N 2 1 396.601 0.727 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643546390 1184165400 /nfs/dbraw/zinc/16/54/00/1184165400.db2.gz OBVUJUHROXYECZ-INIZCTEOSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643546390 1184165402 /nfs/dbraw/zinc/16/54/02/1184165402.db2.gz OBVUJUHROXYECZ-INIZCTEOSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643546391 1184165523 /nfs/dbraw/zinc/16/55/23/1184165523.db2.gz OBVUJUHROXYECZ-MRXNPFEDSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000643546391 1184165528 /nfs/dbraw/zinc/16/55/28/1184165528.db2.gz OBVUJUHROXYECZ-MRXNPFEDSA-N 2 1 380.533 0.282 20 0 GCADMP CC[N@H+](CCO)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000274687198 1184183251 /nfs/dbraw/zinc/18/32/51/1184183251.db2.gz TZJRAYIZZQEYOC-UHFFFAOYSA-N 2 1 391.516 0.188 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000274687198 1184183261 /nfs/dbraw/zinc/18/32/61/1184183261.db2.gz TZJRAYIZZQEYOC-UHFFFAOYSA-N 2 1 391.516 0.188 20 0 GCADMP COC[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000655017988 1184247957 /nfs/dbraw/zinc/24/79/57/1184247957.db2.gz RXTFVLSGXCJACN-INIZCTEOSA-N 2 1 382.549 0.698 20 0 GCADMP COC[C@H](CNC(=O)C[NH+]1CCC(C)(C)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000655017988 1184247964 /nfs/dbraw/zinc/24/79/64/1184247964.db2.gz RXTFVLSGXCJACN-INIZCTEOSA-N 2 1 382.549 0.698 20 0 GCADMP COC[C@H](CNC(=O)C[NH+]1CCC(C)(C)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000655017988 1184247969 /nfs/dbraw/zinc/24/79/69/1184247969.db2.gz RXTFVLSGXCJACN-INIZCTEOSA-N 2 1 382.549 0.698 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000579814724 1184248079 /nfs/dbraw/zinc/24/80/79/1184248079.db2.gz IYKFYWYYNGCTHA-CALCHBBNSA-N 2 1 379.549 0.119 20 0 GCADMP O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000579815573 1184253849 /nfs/dbraw/zinc/25/38/49/1184253849.db2.gz MCZPULDJMUJPIN-KRWDZBQOSA-N 2 1 381.908 0.750 20 0 GCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000643576918 1184256215 /nfs/dbraw/zinc/25/62/15/1184256215.db2.gz LVONKFDDHKEKQR-OALUTQOASA-N 2 1 387.528 0.068 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000525439514 1184296285 /nfs/dbraw/zinc/29/62/85/1184296285.db2.gz XTFISWUTEHUEAX-UHFFFAOYSA-N 2 1 383.537 0.027 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000525439514 1184296292 /nfs/dbraw/zinc/29/62/92/1184296292.db2.gz XTFISWUTEHUEAX-UHFFFAOYSA-N 2 1 383.537 0.027 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2C1 ZINC000579854435 1184340954 /nfs/dbraw/zinc/34/09/54/1184340954.db2.gz YXCGCTYBCOOBEJ-HOCLYGCPSA-N 2 1 385.468 0.121 20 0 GCADMP Cc1nnc(N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001707866204 1184397491 /nfs/dbraw/zinc/39/74/91/1184397491.db2.gz SKMADCYMJPLWCK-CALCHBBNSA-N 2 1 394.564 0.979 20 0 GCADMP Cc1nnc(N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001707866204 1184397506 /nfs/dbraw/zinc/39/75/06/1184397506.db2.gz SKMADCYMJPLWCK-CALCHBBNSA-N 2 1 394.564 0.979 20 0 GCADMP C[NH2+]Cc1c(C)nn(-c2cc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1C ZINC001167098397 1184477374 /nfs/dbraw/zinc/47/73/74/1184477374.db2.gz NCFOVEZTQIUGOO-UHFFFAOYSA-N 2 1 387.488 0.672 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)[C@H]2C1 ZINC000579883223 1184499965 /nfs/dbraw/zinc/49/99/65/1184499965.db2.gz VLEUNFVAOGXBBX-OQIJWPOYSA-N 2 1 392.544 0.423 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171792 1184572229 /nfs/dbraw/zinc/57/22/29/1184572229.db2.gz YFYYHOPCOBYFFD-GUDVDZBRSA-N 2 1 388.512 0.780 20 0 GCADMP Cc1nnc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001707870652 1184660234 /nfs/dbraw/zinc/66/02/34/1184660234.db2.gz KUODQLYEYJOLOH-LPHOPBHVSA-N 2 1 392.548 0.590 20 0 GCADMP Cc1nnc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001707870654 1184660666 /nfs/dbraw/zinc/66/06/66/1184660666.db2.gz KUODQLYEYJOLOH-VQIMIIECSA-N 2 1 392.548 0.590 20 0 GCADMP Cc1nc(Cn2nnc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2C)no1 ZINC000579902918 1184671156 /nfs/dbraw/zinc/67/11/56/1184671156.db2.gz KOEHEQPWRROQQT-UHFFFAOYSA-N 2 1 397.443 0.725 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000121299659 1184710195 /nfs/dbraw/zinc/71/01/95/1184710195.db2.gz CVHIXUGHFDKFQF-QWFCFKBJSA-N 2 1 396.576 0.333 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000579928011 1184738575 /nfs/dbraw/zinc/73/85/75/1184738575.db2.gz QLKHWXLNNGJOFE-MHORFTMASA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000579928011 1184738577 /nfs/dbraw/zinc/73/85/77/1184738577.db2.gz QLKHWXLNNGJOFE-MHORFTMASA-N 2 1 380.533 0.639 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000642729093 1184757759 /nfs/dbraw/zinc/75/77/59/1184757759.db2.gz FLHQAHYWIGJBJP-UHOSZYNNSA-N 2 1 387.528 0.115 20 0 GCADMP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000655712285 1184783041 /nfs/dbraw/zinc/78/30/41/1184783041.db2.gz IMOGIPWOMORVFV-IBGZPJMESA-N 2 1 387.528 0.963 20 0 GCADMP CC[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000642731530 1184815759 /nfs/dbraw/zinc/81/57/59/1184815759.db2.gz ZOIMTZRFNYCVTI-LZQZEXGQSA-N 2 1 388.512 0.514 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837573 1184838506 /nfs/dbraw/zinc/83/85/06/1184838506.db2.gz VMTZWQZDZHJORJ-IRXDYDNUSA-N 2 1 389.500 0.203 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744872 1184858548 /nfs/dbraw/zinc/85/85/48/1184858548.db2.gz IEDSXEUXGJQOFB-WMZOPIPTSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744872 1184858552 /nfs/dbraw/zinc/85/85/52/1184858552.db2.gz IEDSXEUXGJQOFB-WMZOPIPTSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000642754493 1184907904 /nfs/dbraw/zinc/90/79/04/1184907904.db2.gz GTNOYTZUDAFHRB-MSOLQXFVSA-N 2 1 387.528 0.572 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000580062612 1185040139 /nfs/dbraw/zinc/04/01/39/1185040139.db2.gz GWQKKADSTWDKAC-WBVHZDCISA-N 2 1 394.560 0.527 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000580062612 1185040149 /nfs/dbraw/zinc/04/01/49/1185040149.db2.gz GWQKKADSTWDKAC-WBVHZDCISA-N 2 1 394.560 0.527 20 0 GCADMP N=c1cc(C[NH3+])ncn1-c1cncc(C(=O)N2CCC([NH+]3CCCC3)CC2)c1 ZINC001167359207 1185087536 /nfs/dbraw/zinc/08/75/36/1185087536.db2.gz LRVVRRZSODBOMD-UHFFFAOYSA-N 2 1 381.484 0.906 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000580165420 1185098492 /nfs/dbraw/zinc/09/84/92/1185098492.db2.gz IPZJGQSGGYLNPI-NYUBLWNDSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000580165420 1185098500 /nfs/dbraw/zinc/09/85/00/1185098500.db2.gz IPZJGQSGGYLNPI-NYUBLWNDSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000580165420 1185098507 /nfs/dbraw/zinc/09/85/07/1185098507.db2.gz IPZJGQSGGYLNPI-NYUBLWNDSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000580165420 1185098515 /nfs/dbraw/zinc/09/85/15/1185098515.db2.gz IPZJGQSGGYLNPI-NYUBLWNDSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000580165421 1185099350 /nfs/dbraw/zinc/09/93/50/1185099350.db2.gz IPZJGQSGGYLNPI-TWFHAPMSSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C[C@H](C)O1 ZINC000580165421 1185099354 /nfs/dbraw/zinc/09/93/54/1185099354.db2.gz IPZJGQSGGYLNPI-TWFHAPMSSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)C[C@H](C)O1 ZINC000580165421 1185099357 /nfs/dbraw/zinc/09/93/57/1185099357.db2.gz IPZJGQSGGYLNPI-TWFHAPMSSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C[C@H](C)O1 ZINC000580165421 1185099360 /nfs/dbraw/zinc/09/93/60/1185099360.db2.gz IPZJGQSGGYLNPI-TWFHAPMSSA-N 2 1 392.544 0.641 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580172931 1185104855 /nfs/dbraw/zinc/10/48/55/1185104855.db2.gz MQMONIICODGBLH-OALUTQOASA-N 2 1 375.517 0.480 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000580294698 1185143655 /nfs/dbraw/zinc/14/36/55/1185143655.db2.gz DSRXBLASOYZWSQ-HZPDHXFCSA-N 2 1 395.573 0.787 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000580301699 1185145077 /nfs/dbraw/zinc/14/50/77/1185145077.db2.gz POUSKUMSHOVBSB-MSOLQXFVSA-N 2 1 387.528 0.511 20 0 GCADMP O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000580324468 1185163437 /nfs/dbraw/zinc/16/34/37/1185163437.db2.gz UONFKQJCGJOFTL-LSDHHAIUSA-N 2 1 378.439 0.582 20 0 GCADMP CC[C@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000580330026 1185168696 /nfs/dbraw/zinc/16/86/96/1185168696.db2.gz VKODMNFOMDTRBH-HXUWFJFHSA-N 2 1 380.533 0.596 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354454 1185196546 /nfs/dbraw/zinc/19/65/46/1185196546.db2.gz DXLKCMMDLLLCFZ-MSOLQXFVSA-N 2 1 380.533 0.690 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCN3CCCS3(=O)=O)CC2)CC1 ZINC000580463241 1185238996 /nfs/dbraw/zinc/23/89/96/1185238996.db2.gz JCVMPJHZYUBLQS-UHFFFAOYSA-N 2 1 386.562 0.334 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000580477453 1185246427 /nfs/dbraw/zinc/24/64/27/1185246427.db2.gz OVWHTZRMRRNNPO-HKUYNNGSSA-N 2 1 390.528 0.850 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000419348049 1185271332 /nfs/dbraw/zinc/27/13/32/1185271332.db2.gz XJSRRMGAILWLHF-UHFFFAOYSA-N 2 1 375.517 0.118 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N(C)CC[NH2+]C)cc2)CC1 ZINC000419348659 1185272234 /nfs/dbraw/zinc/27/22/34/1185272234.db2.gz XVQFYBZDFJUMQQ-UHFFFAOYSA-N 2 1 375.517 0.118 20 0 GCADMP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)ccc21 ZINC000684025868 1185305720 /nfs/dbraw/zinc/30/57/20/1185305720.db2.gz MQAHBTZNUQKVKS-MRXNPFEDSA-N 2 1 399.495 0.429 20 0 GCADMP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)ccc21 ZINC000684025868 1185305727 /nfs/dbraw/zinc/30/57/27/1185305727.db2.gz MQAHBTZNUQKVKS-MRXNPFEDSA-N 2 1 399.495 0.429 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000580737290 1185320423 /nfs/dbraw/zinc/32/04/23/1185320423.db2.gz PMCAXUQLCVLVFL-RBUKOAKNSA-N 2 1 394.560 0.813 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000656287074 1185325341 /nfs/dbraw/zinc/32/53/41/1185325341.db2.gz XYGMQOAKUKBORX-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296550 1185356333 /nfs/dbraw/zinc/35/63/33/1185356333.db2.gz LCGWNAKYGFVVQR-ROUUACIJSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656296550 1185356339 /nfs/dbraw/zinc/35/63/39/1185356339.db2.gz LCGWNAKYGFVVQR-ROUUACIJSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656296550 1185356342 /nfs/dbraw/zinc/35/63/42/1185356342.db2.gz LCGWNAKYGFVVQR-ROUUACIJSA-N 2 1 379.549 0.263 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000656306890 1185381536 /nfs/dbraw/zinc/38/15/36/1185381536.db2.gz KQYLDXDVZPTQAK-INIZCTEOSA-N 2 1 395.548 0.023 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400652 /nfs/dbraw/zinc/40/06/52/1185400652.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400655 /nfs/dbraw/zinc/40/06/55/1185400655.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400660 /nfs/dbraw/zinc/40/06/60/1185400660.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400664 /nfs/dbraw/zinc/40/06/64/1185400664.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315955 1185400668 /nfs/dbraw/zinc/40/06/68/1185400668.db2.gz NRIJLPWRGCTUAC-YTQUADARSA-N 2 1 391.560 0.404 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC1(C)C ZINC000656316955 1185402978 /nfs/dbraw/zinc/40/29/78/1185402978.db2.gz AXFXQWSEDYIQCL-DLBZAZTESA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1(C)C ZINC000656316955 1185402982 /nfs/dbraw/zinc/40/29/82/1185402982.db2.gz AXFXQWSEDYIQCL-DLBZAZTESA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1(C)C ZINC000656316955 1185402983 /nfs/dbraw/zinc/40/29/83/1185402983.db2.gz AXFXQWSEDYIQCL-DLBZAZTESA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337538 1185434044 /nfs/dbraw/zinc/43/40/44/1185434044.db2.gz UNMGXNQVTGSWPL-NXOAAHMSSA-N 2 1 382.549 0.837 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656357590 1185459683 /nfs/dbraw/zinc/45/96/83/1185459683.db2.gz ZOLOSOBLRYEAPV-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656357590 1185459692 /nfs/dbraw/zinc/45/96/92/1185459692.db2.gz ZOLOSOBLRYEAPV-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656357590 1185459697 /nfs/dbraw/zinc/45/96/97/1185459697.db2.gz ZOLOSOBLRYEAPV-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cnccc1OC ZINC000276010364 1185460384 /nfs/dbraw/zinc/46/03/84/1185460384.db2.gz LYENAKNWSVXUPH-HNNXBMFYSA-N 2 1 377.489 0.903 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)NCC2(O)CC[NH+](C)CC2)c2cccs2)CC1 ZINC000580982487 1185462123 /nfs/dbraw/zinc/46/21/23/1185462123.db2.gz SYYGIACGISXUAD-MRXNPFEDSA-N 2 1 395.573 0.793 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891356495 1185470839 /nfs/dbraw/zinc/47/08/39/1185470839.db2.gz KVFDNMKTJCJZGY-SFHVURJKSA-N 2 1 381.565 0.862 20 0 GCADMP CN(C(=O)CC1CC[NH2+]CC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152469 1185503638 /nfs/dbraw/zinc/50/36/38/1185503638.db2.gz MPILBBKXTCAOPG-UHFFFAOYSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133162 1185510012 /nfs/dbraw/zinc/51/00/12/1185510012.db2.gz ZDEHFEBDGNRYBH-ROUUACIJSA-N 3 1 375.517 0.192 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133162 1185510016 /nfs/dbraw/zinc/51/00/16/1185510016.db2.gz ZDEHFEBDGNRYBH-ROUUACIJSA-N 2 1 375.517 0.192 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1OC ZINC000276039343 1185516223 /nfs/dbraw/zinc/51/62/23/1185516223.db2.gz PCZNEOKDZSZDST-OAHLLOKOSA-N 2 1 377.489 0.903 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000581183034 1185526245 /nfs/dbraw/zinc/52/62/45/1185526245.db2.gz NWNPDQVSRGAGBS-RNJTYBCJSA-N 2 1 378.517 0.079 20 0 GCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000581254594 1185557309 /nfs/dbraw/zinc/55/73/09/1185557309.db2.gz NZYROMSZTWKXQH-YESZJQIVSA-N 2 1 379.549 0.105 20 0 GCADMP CCc1nn(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000276094862 1185567572 /nfs/dbraw/zinc/56/75/72/1185567572.db2.gz VVAJPWWRBSVJEI-HNNXBMFYSA-N 2 1 378.521 0.796 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299703 1185574541 /nfs/dbraw/zinc/57/45/41/1185574541.db2.gz XVZIWTUFZJSVDS-QZTJIDSGSA-N 2 1 395.548 0.197 20 0 GCADMP [NH3+]CCCOC1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000430553834 1185579188 /nfs/dbraw/zinc/57/91/88/1185579188.db2.gz PMRRCGFXSAONFL-UHFFFAOYSA-N 2 1 392.456 0.936 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581313515 1185585892 /nfs/dbraw/zinc/58/58/92/1185585892.db2.gz IRMHWWRZWMJFCU-XIRDDKMYSA-N 2 1 398.515 0.071 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430589697 1185649515 /nfs/dbraw/zinc/64/95/15/1185649515.db2.gz AXMHBFLIGCBBEY-UHFFFAOYSA-N 2 1 396.513 0.053 20 0 GCADMP C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430589761 1185650091 /nfs/dbraw/zinc/65/00/91/1185650091.db2.gz BHYYYKKAVAUTLV-CYBMUJFWSA-N 2 1 384.502 0.491 20 0 GCADMP C[C@@H](NC(=O)CNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000430592420 1185656883 /nfs/dbraw/zinc/65/68/83/1185656883.db2.gz HEJAKLIBJWYNAO-OAHLLOKOSA-N 2 1 394.491 0.949 20 0 GCADMP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000430599335 1185679221 /nfs/dbraw/zinc/67/92/21/1185679221.db2.gz AHVGPSBULGSNRW-CYBMUJFWSA-N 2 1 394.472 0.438 20 0 GCADMP COc1cc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000430599335 1185679228 /nfs/dbraw/zinc/67/92/28/1185679228.db2.gz AHVGPSBULGSNRW-CYBMUJFWSA-N 2 1 394.472 0.438 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000581423500 1185685593 /nfs/dbraw/zinc/68/55/93/1185685593.db2.gz UOURRKSMUGBDMJ-PNKHAZJDSA-N 2 1 380.533 0.530 20 0 GCADMP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000581429830 1185687140 /nfs/dbraw/zinc/68/71/40/1185687140.db2.gz KNHSGFJWQIQHIK-INIZCTEOSA-N 2 1 388.468 0.556 20 0 GCADMP COC(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000581429830 1185687148 /nfs/dbraw/zinc/68/71/48/1185687148.db2.gz KNHSGFJWQIQHIK-INIZCTEOSA-N 2 1 388.468 0.556 20 0 GCADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000581434306 1185688531 /nfs/dbraw/zinc/68/85/31/1185688531.db2.gz QRJLSWLGFZLGRV-OAQYLSRUSA-N 3 1 376.545 0.917 20 0 GCADMP C[NH2+]C[C@@](C)(O)CN1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000581434306 1185688538 /nfs/dbraw/zinc/68/85/38/1185688538.db2.gz QRJLSWLGFZLGRV-OAQYLSRUSA-N 2 1 376.545 0.917 20 0 GCADMP C[NH2+]C[C@@](C)(O)CN1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000581434306 1185688543 /nfs/dbraw/zinc/68/85/43/1185688543.db2.gz QRJLSWLGFZLGRV-OAQYLSRUSA-N 2 1 376.545 0.917 20 0 GCADMP Cc1cc(C)cc(OCCN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430603268 1185695094 /nfs/dbraw/zinc/69/50/94/1185695094.db2.gz JPOSRSYOFOUHFB-GOSISDBHSA-N 2 1 390.528 0.928 20 0 GCADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606007 1185700150 /nfs/dbraw/zinc/70/01/50/1185700150.db2.gz VEVDTSRTINSEKG-HOCLYGCPSA-N 2 1 394.491 0.968 20 0 GCADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000581479365 1185722752 /nfs/dbraw/zinc/72/27/52/1185722752.db2.gz UUHGRBZMAMDXRO-QGZVFWFLSA-N 2 1 395.548 0.084 20 0 GCADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC000581479365 1185722758 /nfs/dbraw/zinc/72/27/58/1185722758.db2.gz UUHGRBZMAMDXRO-QGZVFWFLSA-N 2 1 395.548 0.084 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000581502555 1185730539 /nfs/dbraw/zinc/73/05/39/1185730539.db2.gz UGPMMBFYUGGGML-SFHVURJKSA-N 2 1 392.544 0.834 20 0 GCADMP Cc1csc2nc(C[N@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)cc(=O)n12 ZINC000430608440 1185743152 /nfs/dbraw/zinc/74/31/52/1185743152.db2.gz FJNYOEXTZAOHRK-AWEZNQCLSA-N 2 1 375.498 0.708 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430609590 1185751553 /nfs/dbraw/zinc/75/15/53/1185751553.db2.gz HQHLIOYCTXEYCV-CQSZACIVSA-N 2 1 390.513 0.718 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000430609590 1185751559 /nfs/dbraw/zinc/75/15/59/1185751559.db2.gz HQHLIOYCTXEYCV-CQSZACIVSA-N 2 1 390.513 0.718 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000430609668 1185751945 /nfs/dbraw/zinc/75/19/45/1185751945.db2.gz IGLBFCOBEWMYNN-NSHDSACASA-N 2 1 384.383 0.734 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000430609668 1185751950 /nfs/dbraw/zinc/75/19/50/1185751950.db2.gz IGLBFCOBEWMYNN-NSHDSACASA-N 2 1 384.383 0.734 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430609431 1185752606 /nfs/dbraw/zinc/75/26/06/1185752606.db2.gz HUEUGMTYMOBVPH-INIZCTEOSA-N 2 1 391.491 0.261 20 0 GCADMP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609197 1185753002 /nfs/dbraw/zinc/75/30/02/1185753002.db2.gz HICWRZVLBXDUQD-QGZVFWFLSA-N 2 1 376.501 0.626 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000430609437 1185753020 /nfs/dbraw/zinc/75/30/20/1185753020.db2.gz HUEUGMTYMOBVPH-MRXNPFEDSA-N 2 1 391.491 0.261 20 0 GCADMP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430612705 1185766323 /nfs/dbraw/zinc/76/63/23/1185766323.db2.gz SGZYUFXFXZISIK-KRWDZBQOSA-N 2 1 376.501 0.877 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000533817473 1185767293 /nfs/dbraw/zinc/76/72/93/1185767293.db2.gz UKSOQVKAUDIATE-PURYLZLUSA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000533817473 1185767297 /nfs/dbraw/zinc/76/72/97/1185767297.db2.gz UKSOQVKAUDIATE-PURYLZLUSA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000533817473 1185767303 /nfs/dbraw/zinc/76/73/03/1185767303.db2.gz UKSOQVKAUDIATE-PURYLZLUSA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)O1 ZINC001022020992 1185777927 /nfs/dbraw/zinc/77/79/27/1185777927.db2.gz WVJGUWGHMCVPMM-XMTFNYHQSA-N 2 1 390.528 0.393 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C45CCC[NH+]4CCC5)C[C@H]32)O1 ZINC001022020992 1185777933 /nfs/dbraw/zinc/77/79/33/1185777933.db2.gz WVJGUWGHMCVPMM-XMTFNYHQSA-N 2 1 390.528 0.393 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1OC ZINC000430617401 1185788915 /nfs/dbraw/zinc/78/89/15/1185788915.db2.gz MJJSXDPQFKZXPD-INIZCTEOSA-N 2 1 392.500 0.449 20 0 GCADMP O=C(CC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)Nc1ccccc1 ZINC000430620713 1185795593 /nfs/dbraw/zinc/79/55/93/1185795593.db2.gz BNANDJURKRLTNY-INIZCTEOSA-N 2 1 387.484 0.869 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000430627220 1185813576 /nfs/dbraw/zinc/81/35/76/1185813576.db2.gz MTNKPJYPWOBKEY-CQSZACIVSA-N 2 1 382.892 0.622 20 0 GCADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430633001 1185821708 /nfs/dbraw/zinc/82/17/08/1185821708.db2.gz ZTPLXYKSEWZCHR-BZUAXINKSA-N 2 1 390.484 0.118 20 0 GCADMP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430634370 1185824953 /nfs/dbraw/zinc/82/49/53/1185824953.db2.gz DIXOOZMZCHFKQE-OAHLLOKOSA-N 2 1 375.473 0.114 20 0 GCADMP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430634370 1185824962 /nfs/dbraw/zinc/82/49/62/1185824962.db2.gz DIXOOZMZCHFKQE-OAHLLOKOSA-N 2 1 375.473 0.114 20 0 GCADMP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642395 1185854654 /nfs/dbraw/zinc/85/46/54/1185854654.db2.gz KECOPALFPDDIKA-WMZOPIPTSA-N 2 1 386.496 0.944 20 0 GCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430645834 1185858857 /nfs/dbraw/zinc/85/88/57/1185858857.db2.gz ORUDSRUAQVNJJX-LSDHHAIUSA-N 2 1 390.484 0.962 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000581716601 1185863789 /nfs/dbraw/zinc/86/37/89/1185863789.db2.gz HUZFBEBXVSFSAF-JKSUJKDBSA-N 2 1 393.557 0.269 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891482576 1185887129 /nfs/dbraw/zinc/88/71/29/1185887129.db2.gz KBZJSVDUTDSXKH-RBUKOAKNSA-N 2 1 387.528 0.943 20 0 GCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000625858203 1185906198 /nfs/dbraw/zinc/90/61/98/1185906198.db2.gz RXMAAHUIJXQKFA-OAHLLOKOSA-N 2 1 381.502 0.496 20 0 GCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000625858203 1185906202 /nfs/dbraw/zinc/90/62/02/1185906202.db2.gz RXMAAHUIJXQKFA-OAHLLOKOSA-N 2 1 381.502 0.496 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558982 1185918420 /nfs/dbraw/zinc/91/84/20/1185918420.db2.gz CKJRYCSOHYJYTF-VNHYZAJKSA-N 2 1 377.455 0.934 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558982 1185918423 /nfs/dbraw/zinc/91/84/23/1185918423.db2.gz CKJRYCSOHYJYTF-VNHYZAJKSA-N 2 1 377.455 0.934 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578910 1185924974 /nfs/dbraw/zinc/92/49/74/1185924974.db2.gz COFAWAPZNNRCSR-VQHPVUNQSA-N 2 1 379.505 0.827 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)NCC[N@H+]3CCCOCC3)CC2)CC1 ZINC000581878342 1185926527 /nfs/dbraw/zinc/92/65/27/1185926527.db2.gz HTVLILUBEUHOGT-UHFFFAOYSA-N 2 1 381.565 0.910 20 0 GCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665373 1185927658 /nfs/dbraw/zinc/92/76/58/1185927658.db2.gz MQBBUFZYKLKVLB-HOCLYGCPSA-N 2 1 387.484 0.256 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419898358 1185975855 /nfs/dbraw/zinc/97/58/55/1185975855.db2.gz PLLRYSFYENKMLU-XDNAFOTISA-N 2 1 379.549 0.390 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698011 1185982797 /nfs/dbraw/zinc/98/27/97/1185982797.db2.gz WGOUAVMTNCCCGD-XDNAFOTISA-N 2 1 393.532 0.931 20 0 GCADMP CC(=O)N1CCN(C(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000328878221 1185998736 /nfs/dbraw/zinc/99/87/36/1185998736.db2.gz KYIHCOUEDJQIED-UHFFFAOYSA-N 2 1 379.549 0.168 20 0 GCADMP C[C@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891761517 1186015290 /nfs/dbraw/zinc/01/52/90/1186015290.db2.gz FFLVXWVFRYIERY-KRWDZBQOSA-N 2 1 375.521 0.630 20 0 GCADMP C[C@H]1CC[N@@H+](CCNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000891761517 1186015294 /nfs/dbraw/zinc/01/52/94/1186015294.db2.gz FFLVXWVFRYIERY-KRWDZBQOSA-N 2 1 375.521 0.630 20 0 GCADMP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891763262 1186016912 /nfs/dbraw/zinc/01/69/12/1186016912.db2.gz YCAJWXWKUWXJKF-QGZVFWFLSA-N 2 1 375.521 0.772 20 0 GCADMP C[C@@H]1CCC[N@H+]1CCNC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891763262 1186016918 /nfs/dbraw/zinc/01/69/18/1186016918.db2.gz YCAJWXWKUWXJKF-QGZVFWFLSA-N 2 1 375.521 0.772 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@]3(CCOC)CC[NH2+]C3)CC2)CC1 ZINC000430726831 1186023020 /nfs/dbraw/zinc/02/30/20/1186023020.db2.gz WEYLFSGTEGWGOI-OAQYLSRUSA-N 2 1 394.560 0.795 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)COC2C[NH2+]C2)ccc1F ZINC000430744006 1186025332 /nfs/dbraw/zinc/02/53/32/1186025332.db2.gz QLILDZCMEHEUBF-UHFFFAOYSA-N 2 1 380.420 0.413 20 0 GCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000430866922 1186044419 /nfs/dbraw/zinc/04/44/19/1186044419.db2.gz QXCXNLRUEKUKBJ-SJORKVTESA-N 2 1 376.505 0.893 20 0 GCADMP C[C@@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733053 1186048527 /nfs/dbraw/zinc/04/85/27/1186048527.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733053 1186048534 /nfs/dbraw/zinc/04/85/34/1186048534.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733053 1186048542 /nfs/dbraw/zinc/04/85/42/1186048542.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733053 1186048544 /nfs/dbraw/zinc/04/85/44/1186048544.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733053 1186048549 /nfs/dbraw/zinc/04/85/49/1186048549.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733053 1186048552 /nfs/dbraw/zinc/04/85/52/1186048552.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733053 1186048556 /nfs/dbraw/zinc/04/85/56/1186048556.db2.gz OJNHLNUNRSZUSD-DSVUQQCSSA-N 2 1 377.577 0.258 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000548404441 1186060939 /nfs/dbraw/zinc/06/09/39/1186060939.db2.gz MAFZYJAXNFVMSB-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000548404441 1186060951 /nfs/dbraw/zinc/06/09/51/1186060951.db2.gz MAFZYJAXNFVMSB-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000430959149 1186067522 /nfs/dbraw/zinc/06/75/22/1186067522.db2.gz WTRSVFUTPGPLQX-IRXDYDNUSA-N 2 1 394.541 0.497 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000430959149 1186067529 /nfs/dbraw/zinc/06/75/29/1186067529.db2.gz WTRSVFUTPGPLQX-IRXDYDNUSA-N 2 1 394.541 0.497 20 0 GCADMP COc1cc(C)c(CN2CCN(C(=O)C[N@@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1OC ZINC000430959986 1186069814 /nfs/dbraw/zinc/06/98/14/1186069814.db2.gz GAZLSKTVWQCMPL-KRWDZBQOSA-N 2 1 390.528 0.937 20 0 GCADMP COc1cc(C)c(CN2CCN(C(=O)C[N@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1OC ZINC000430959986 1186069818 /nfs/dbraw/zinc/06/98/18/1186069818.db2.gz GAZLSKTVWQCMPL-KRWDZBQOSA-N 2 1 390.528 0.937 20 0 GCADMP COc1ccc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1S(=O)(=O)N(C)C ZINC000430966321 1186072942 /nfs/dbraw/zinc/07/29/42/1186072942.db2.gz NJADHPRCSPQHJB-CYBMUJFWSA-N 2 1 398.529 0.943 20 0 GCADMP CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430968961 1186077251 /nfs/dbraw/zinc/07/72/51/1186077251.db2.gz XZYZVYSEHDBPAQ-KRWDZBQOSA-N 2 1 387.528 0.612 20 0 GCADMP CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@@H](C[NH3+])C2)CC1 ZINC000430968961 1186077258 /nfs/dbraw/zinc/07/72/58/1186077258.db2.gz XZYZVYSEHDBPAQ-KRWDZBQOSA-N 2 1 387.528 0.612 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C[C@@H](O)Cn2cccn2)c1 ZINC000562988033 1186098132 /nfs/dbraw/zinc/09/81/32/1186098132.db2.gz LFDXQYOCGLXBCO-LJQANCHMSA-N 2 1 387.484 0.695 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891857423 1186099437 /nfs/dbraw/zinc/09/94/37/1186099437.db2.gz AZOGCDZMCZDVHG-NXOAAHMSSA-N 2 1 377.489 0.580 20 0 GCADMP COc1ccccc1[C@@H](N)C(=O)N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC000431018816 1186104274 /nfs/dbraw/zinc/10/42/74/1186104274.db2.gz YCDNTBYFAKIVEI-YLJYHZDGSA-N 2 1 390.528 0.948 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865448 1186107021 /nfs/dbraw/zinc/10/70/21/1186107021.db2.gz PGTRIXDWIGWRNF-LVQVYYBASA-N 2 1 379.505 0.683 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC[N@H+]2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000933847420 1186108942 /nfs/dbraw/zinc/10/89/42/1186108942.db2.gz GRIBRIHZLLJUAC-QZTJIDSGSA-N 2 1 393.576 0.319 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000276840315 1186115165 /nfs/dbraw/zinc/11/51/65/1186115165.db2.gz IRNHMDLHMNNNMS-DOTOQJQBSA-N 2 1 376.505 0.480 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000581999828 1186178581 /nfs/dbraw/zinc/17/85/81/1186178581.db2.gz KASDHVNRAFKDIF-HZPDHXFCSA-N 2 1 393.557 0.411 20 0 GCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891953051 1186197689 /nfs/dbraw/zinc/19/76/89/1186197689.db2.gz MIJQAXJYZZQAOH-KRWDZBQOSA-N 2 1 396.532 0.326 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[N@@H+]1CCO ZINC000458215415 1186216828 /nfs/dbraw/zinc/21/68/28/1186216828.db2.gz KPBPBERRORWQOU-BBWFWOEESA-N 2 1 383.537 0.026 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[NH+]1CCO ZINC000458215415 1186216831 /nfs/dbraw/zinc/21/68/31/1186216831.db2.gz KPBPBERRORWQOU-BBWFWOEESA-N 2 1 383.537 0.026 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@H](C)[NH+]1CCO ZINC000458215415 1186216839 /nfs/dbraw/zinc/21/68/39/1186216839.db2.gz KPBPBERRORWQOU-BBWFWOEESA-N 2 1 383.537 0.026 20 0 GCADMP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@]1(O)CC[NH+](C)C1 ZINC001707913367 1186269706 /nfs/dbraw/zinc/26/97/06/1186269706.db2.gz ZNZFNHQMAVPJJF-DNVCBOLYSA-N 2 1 378.521 0.343 20 0 GCADMP Cc1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001707913367 1186269714 /nfs/dbraw/zinc/26/97/14/1186269714.db2.gz ZNZFNHQMAVPJJF-DNVCBOLYSA-N 2 1 378.521 0.343 20 0 GCADMP Cc1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001707913367 1186269718 /nfs/dbraw/zinc/26/97/18/1186269718.db2.gz ZNZFNHQMAVPJJF-DNVCBOLYSA-N 2 1 378.521 0.343 20 0 GCADMP [NH3+][C@H](CNC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030313 1186311646 /nfs/dbraw/zinc/31/16/46/1186311646.db2.gz GORXAFPNQNXLOV-RBUKOAKNSA-N 2 1 375.517 0.782 20 0 GCADMP [NH3+][C@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030314 1186311672 /nfs/dbraw/zinc/31/16/72/1186311672.db2.gz GORXAFPNQNXLOV-RTBURBONSA-N 2 1 375.517 0.782 20 0 GCADMP C[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000431291574 1186320990 /nfs/dbraw/zinc/32/09/90/1186320990.db2.gz RLOGJUBYHVXQNF-KRWDZBQOSA-N 2 1 383.537 0.246 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000102811874 1186321741 /nfs/dbraw/zinc/32/17/41/1186321741.db2.gz PURVMHBTCUQZOL-UHFFFAOYSA-N 2 1 389.544 0.871 20 0 GCADMP C[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000431297970 1186328892 /nfs/dbraw/zinc/32/88/92/1186328892.db2.gz IKHIHBADWGDUKE-GOSISDBHSA-N 2 1 396.580 0.161 20 0 GCADMP COCC1(CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000892111837 1186347903 /nfs/dbraw/zinc/34/79/03/1186347903.db2.gz DIQJILHKLZIDKW-SFHVURJKSA-N 2 1 397.564 0.098 20 0 GCADMP COCC1(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC[NH2+]CC1 ZINC000892111836 1186348240 /nfs/dbraw/zinc/34/82/40/1186348240.db2.gz DIQJILHKLZIDKW-GOSISDBHSA-N 2 1 397.564 0.098 20 0 GCADMP C[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)N1CC[NH+](C)CC1 ZINC000511045000 1186353853 /nfs/dbraw/zinc/35/38/53/1186353853.db2.gz JWLPXXPEGDSNOH-GOSISDBHSA-N 2 1 393.576 0.463 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000582140832 1186433594 /nfs/dbraw/zinc/43/35/94/1186433594.db2.gz CENVVOXSAAAIIM-YQVWRLOYSA-N 2 1 392.544 0.546 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619966 1186587913 /nfs/dbraw/zinc/58/79/13/1186587913.db2.gz MDGOPSVECKZIIK-RYRKJORJSA-N 2 1 379.549 0.116 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642905571 1186594425 /nfs/dbraw/zinc/59/44/25/1186594425.db2.gz PJBSPAQNPAAWLL-GOSISDBHSA-N 2 1 387.528 0.525 20 0 GCADMP COCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073439460 1186598943 /nfs/dbraw/zinc/59/89/43/1186598943.db2.gz RYLAVLQDCVGGAF-GOSISDBHSA-N 2 1 375.517 0.821 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000153130269 1186626476 /nfs/dbraw/zinc/62/64/76/1186626476.db2.gz RTEKGVJGLBGTNU-RTBURBONSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000153130269 1186626481 /nfs/dbraw/zinc/62/64/81/1186626481.db2.gz RTEKGVJGLBGTNU-RTBURBONSA-N 2 1 376.501 0.643 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1CCOC ZINC000560643761 1186674541 /nfs/dbraw/zinc/67/45/41/1186674541.db2.gz UZLVXXUWEFVUQF-ROUUACIJSA-N 2 1 380.533 0.642 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+]1CCOC ZINC000560643761 1186674559 /nfs/dbraw/zinc/67/45/59/1186674559.db2.gz UZLVXXUWEFVUQF-ROUUACIJSA-N 2 1 380.533 0.642 20 0 GCADMP CN(CCC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000583012149 1186747357 /nfs/dbraw/zinc/74/73/57/1186747357.db2.gz TWSTZGYVJZRHKI-UHFFFAOYSA-N 2 1 383.518 0.825 20 0 GCADMP CN(CCC[NH3+])C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000583012149 1186747361 /nfs/dbraw/zinc/74/73/61/1186747361.db2.gz TWSTZGYVJZRHKI-UHFFFAOYSA-N 2 1 383.518 0.825 20 0 GCADMP CC[NH+]1CCC(CNc2nc(NC)nc(NCC3CC[NH+](CC)CC3)n2)CC1 ZINC000564703346 1186757694 /nfs/dbraw/zinc/75/76/94/1186757694.db2.gz LPNSEIAMLCDWAI-UHFFFAOYSA-N 2 1 390.580 0.467 20 0 GCADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC12CCOCC2 ZINC000583084364 1186766818 /nfs/dbraw/zinc/76/68/18/1186766818.db2.gz RQPWGMIXKIBQIX-MRXNPFEDSA-N 2 1 390.484 0.251 20 0 GCADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC12CCOCC2 ZINC000583084364 1186766824 /nfs/dbraw/zinc/76/68/24/1186766824.db2.gz RQPWGMIXKIBQIX-MRXNPFEDSA-N 2 1 390.484 0.251 20 0 GCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142702 1186779879 /nfs/dbraw/zinc/77/98/79/1186779879.db2.gz IYACVLRGIULPJC-AEFFLSMTSA-N 2 1 378.517 0.300 20 0 GCADMP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)ccc1=O ZINC000124602540 1186798665 /nfs/dbraw/zinc/79/86/65/1186798665.db2.gz FIMLPGUFSIVMMI-KRWDZBQOSA-N 2 1 391.516 0.681 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000583276515 1186814939 /nfs/dbraw/zinc/81/49/39/1186814939.db2.gz DULQAJMHEXOWFW-KSZLIROESA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000583276515 1186814943 /nfs/dbraw/zinc/81/49/43/1186814943.db2.gz DULQAJMHEXOWFW-KSZLIROESA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000583276515 1186814948 /nfs/dbraw/zinc/81/49/48/1186814948.db2.gz DULQAJMHEXOWFW-KSZLIROESA-N 2 1 382.549 0.839 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)[C@H]2C1 ZINC000583340552 1186831028 /nfs/dbraw/zinc/83/10/28/1186831028.db2.gz QNMWOOYQSWAPQS-NUJGCVRESA-N 2 1 378.517 0.156 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125425 1186835411 /nfs/dbraw/zinc/83/54/11/1186835411.db2.gz MNTBAZAYHDWNRM-AOIWGVFYSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125425 1186835412 /nfs/dbraw/zinc/83/54/12/1186835412.db2.gz MNTBAZAYHDWNRM-AOIWGVFYSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000685125425 1186835416 /nfs/dbraw/zinc/83/54/16/1186835416.db2.gz MNTBAZAYHDWNRM-AOIWGVFYSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000685125425 1186835418 /nfs/dbraw/zinc/83/54/18/1186835418.db2.gz MNTBAZAYHDWNRM-AOIWGVFYSA-N 2 1 390.528 0.849 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000156020187 1186839203 /nfs/dbraw/zinc/83/92/03/1186839203.db2.gz WJKSGXVUHYSBJY-NVXWUHKLSA-N 2 1 388.516 0.859 20 0 GCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392503 1186843933 /nfs/dbraw/zinc/84/39/33/1186843933.db2.gz IKEJGSASJRVWCX-GUDVDZBRSA-N 2 1 385.512 0.504 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC[NH+](C)C1CCCC1 ZINC000583398560 1186845619 /nfs/dbraw/zinc/84/56/19/1186845619.db2.gz ZHOOQJNQFMMGFH-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000583398560 1186845624 /nfs/dbraw/zinc/84/56/24/1186845624.db2.gz ZHOOQJNQFMMGFH-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000583398560 1186845627 /nfs/dbraw/zinc/84/56/27/1186845627.db2.gz ZHOOQJNQFMMGFH-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000458562821 1186872138 /nfs/dbraw/zinc/87/21/38/1186872138.db2.gz YLIALROZAZGRGB-OTWHNJEPSA-N 2 1 382.549 0.900 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892342582 1186881983 /nfs/dbraw/zinc/88/19/83/1186881983.db2.gz KMDQFAXLXBPEMO-IBGZPJMESA-N 2 1 385.512 0.780 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000583562130 1186886613 /nfs/dbraw/zinc/88/66/13/1186886613.db2.gz BGORSLCNBULOFX-UHFFFAOYSA-N 2 1 385.516 0.694 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000583685660 1186918699 /nfs/dbraw/zinc/91/86/99/1186918699.db2.gz OLUHTVGCZRAAFZ-UHFFFAOYSA-N 2 1 395.592 0.709 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000583685660 1186918701 /nfs/dbraw/zinc/91/87/01/1186918701.db2.gz OLUHTVGCZRAAFZ-UHFFFAOYSA-N 2 1 395.592 0.709 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247318063 1186954304 /nfs/dbraw/zinc/95/43/04/1186954304.db2.gz RZUYDLKBEHXHAI-RTBURBONSA-N 2 1 388.512 0.591 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247318063 1186954306 /nfs/dbraw/zinc/95/43/06/1186954306.db2.gz RZUYDLKBEHXHAI-RTBURBONSA-N 2 1 388.512 0.591 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)C1 ZINC000247318055 1186954443 /nfs/dbraw/zinc/95/44/43/1186954443.db2.gz RZUYDLKBEHXHAI-MOPGFXCFSA-N 2 1 388.512 0.591 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)C1 ZINC000247318055 1186954444 /nfs/dbraw/zinc/95/44/44/1186954444.db2.gz RZUYDLKBEHXHAI-MOPGFXCFSA-N 2 1 388.512 0.591 20 0 GCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000458719152 1186958514 /nfs/dbraw/zinc/95/85/14/1186958514.db2.gz DJKZRQGRNCDYLZ-UHFFFAOYSA-N 2 1 382.597 0.728 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001211603579 1186966226 /nfs/dbraw/zinc/96/62/26/1186966226.db2.gz LBSPONSZLOLWJY-OQIJWPOYSA-N 2 1 393.553 0.955 20 0 GCADMP OCCN1CCCN(c2nc(N3CCC[N@@H+](CCO)CC3)ncc2Cl)CC1 ZINC000151410720 1186979286 /nfs/dbraw/zinc/97/92/86/1186979286.db2.gz XVTXKGXBJVZPGA-UHFFFAOYSA-N 2 1 398.939 0.139 20 0 GCADMP OCC[NH+]1CCCN(c2nc(N3CCC[N@@H+](CCO)CC3)ncc2Cl)CC1 ZINC000151410720 1186979289 /nfs/dbraw/zinc/97/92/89/1186979289.db2.gz XVTXKGXBJVZPGA-UHFFFAOYSA-N 2 1 398.939 0.139 20 0 GCADMP OCC[NH+]1CCCN(c2ncc(Cl)c(N3CCC[N@H+](CCO)CC3)n2)CC1 ZINC000151410720 1186979294 /nfs/dbraw/zinc/97/92/94/1186979294.db2.gz XVTXKGXBJVZPGA-UHFFFAOYSA-N 2 1 398.939 0.139 20 0 GCADMP OCC[NH+]1CCCN(c2ncc(Cl)c(N3CCC[N@@H+](CCO)CC3)n2)CC1 ZINC000151410720 1186979295 /nfs/dbraw/zinc/97/92/95/1186979295.db2.gz XVTXKGXBJVZPGA-UHFFFAOYSA-N 2 1 398.939 0.139 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000151503773 1186984351 /nfs/dbraw/zinc/98/43/51/1186984351.db2.gz JKSMJBVBNNDMRW-UHFFFAOYSA-N 2 1 398.511 0.770 20 0 GCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CC1 ZINC000584175600 1187010045 /nfs/dbraw/zinc/01/00/45/1187010045.db2.gz FROJHZKJWZICBB-LEWJYISDSA-N 2 1 396.539 0.799 20 0 GCADMP CNS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cn1 ZINC000584206882 1187016084 /nfs/dbraw/zinc/01/60/84/1187016084.db2.gz LERHSPUBCARDPG-UHFFFAOYSA-N 2 1 390.469 0.389 20 0 GCADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000584292156 1187026664 /nfs/dbraw/zinc/02/66/64/1187026664.db2.gz VWBUEKHWOOLZTQ-VQTJNVASSA-N 3 1 379.593 0.983 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329790284 1187049479 /nfs/dbraw/zinc/04/94/79/1187049479.db2.gz SYQLTUONTDFHGH-RTBURBONSA-N 2 1 392.544 0.644 20 0 GCADMP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)cc1 ZINC000670720414 1187051669 /nfs/dbraw/zinc/05/16/69/1187051669.db2.gz OPVSEPNXBGRWIW-VQIMIIECSA-N 2 1 390.528 0.980 20 0 GCADMP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1 ZINC000670720414 1187051675 /nfs/dbraw/zinc/05/16/75/1187051675.db2.gz OPVSEPNXBGRWIW-VQIMIIECSA-N 2 1 390.528 0.980 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnn(CC[NH+](C)C)c3)CC2)c1 ZINC000128542950 1187075685 /nfs/dbraw/zinc/07/56/85/1187075685.db2.gz NLEVIUSVJQIGNU-UHFFFAOYSA-N 2 1 385.472 0.435 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685336887 1187101554 /nfs/dbraw/zinc/10/15/54/1187101554.db2.gz SLXROWCVKSWOAO-GBESFXJTSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336887 1187101556 /nfs/dbraw/zinc/10/15/56/1187101556.db2.gz SLXROWCVKSWOAO-GBESFXJTSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339287 1187102741 /nfs/dbraw/zinc/10/27/41/1187102741.db2.gz IPUZMJFWVPLMDO-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]1C[NH+](C)CCO1 ZINC000685339287 1187102743 /nfs/dbraw/zinc/10/27/43/1187102743.db2.gz IPUZMJFWVPLMDO-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685339287 1187102747 /nfs/dbraw/zinc/10/27/47/1187102747.db2.gz IPUZMJFWVPLMDO-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685339287 1187102750 /nfs/dbraw/zinc/10/27/50/1187102750.db2.gz IPUZMJFWVPLMDO-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685338991 1187102869 /nfs/dbraw/zinc/10/28/69/1187102869.db2.gz BPMPKPVKEDTQHZ-QXAKKESOSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[C@H]1C[NH+](C)CCO1 ZINC000685338991 1187102872 /nfs/dbraw/zinc/10/28/72/1187102872.db2.gz BPMPKPVKEDTQHZ-QXAKKESOSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685338991 1187102874 /nfs/dbraw/zinc/10/28/74/1187102874.db2.gz BPMPKPVKEDTQHZ-QXAKKESOSA-N 2 1 388.512 0.555 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338991 1187102879 /nfs/dbraw/zinc/10/28/79/1187102879.db2.gz BPMPKPVKEDTQHZ-QXAKKESOSA-N 2 1 388.512 0.555 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)o1 ZINC000685340166 1187104291 /nfs/dbraw/zinc/10/42/91/1187104291.db2.gz PKAQSBXKTPMGFD-NVXWUHKLSA-N 2 1 380.489 0.314 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)o1 ZINC000685340166 1187104295 /nfs/dbraw/zinc/10/42/95/1187104295.db2.gz PKAQSBXKTPMGFD-NVXWUHKLSA-N 2 1 380.489 0.314 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000685338134 1187107444 /nfs/dbraw/zinc/10/74/44/1187107444.db2.gz AZQONMBUGKFLKL-CRAIPNDOSA-N 2 1 376.501 0.242 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000685338134 1187107446 /nfs/dbraw/zinc/10/74/46/1187107446.db2.gz AZQONMBUGKFLKL-CRAIPNDOSA-N 2 1 376.501 0.242 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000685342080 1187108328 /nfs/dbraw/zinc/10/83/28/1187108328.db2.gz VYQHBSXMANTQIW-CRAIPNDOSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000685342080 1187108332 /nfs/dbraw/zinc/10/83/32/1187108332.db2.gz VYQHBSXMANTQIW-CRAIPNDOSA-N 2 1 394.491 0.551 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343649 1187109257 /nfs/dbraw/zinc/10/92/57/1187109257.db2.gz XWZVKWBYUIKCKA-BPQIPLTHSA-N 2 1 382.549 0.839 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343649 1187109258 /nfs/dbraw/zinc/10/92/58/1187109258.db2.gz XWZVKWBYUIKCKA-BPQIPLTHSA-N 2 1 382.549 0.839 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501346 1187137278 /nfs/dbraw/zinc/13/72/78/1187137278.db2.gz XNSYVYYKVZIXDI-OALUTQOASA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)C1 ZINC000685501346 1187137284 /nfs/dbraw/zinc/13/72/84/1187137284.db2.gz XNSYVYYKVZIXDI-OALUTQOASA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)C1 ZINC000685501346 1187137286 /nfs/dbraw/zinc/13/72/86/1187137286.db2.gz XNSYVYYKVZIXDI-OALUTQOASA-N 2 1 391.560 0.358 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2O)CC[N@H+]1C ZINC001023967848 1187201825 /nfs/dbraw/zinc/20/18/25/1187201825.db2.gz JQFVZQOLHWKWQS-YCEFEEMOSA-N 2 1 388.512 0.390 20 0 GCADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000658104283 1187246048 /nfs/dbraw/zinc/24/60/48/1187246048.db2.gz VHGYCWRMJLNKCR-GOSISDBHSA-N 2 1 392.544 0.644 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCCCC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000658129160 1187248511 /nfs/dbraw/zinc/24/85/11/1187248511.db2.gz UGDVWHVNMQTWIE-GOSISDBHSA-N 2 1 392.544 0.644 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000658180356 1187253243 /nfs/dbraw/zinc/25/32/43/1187253243.db2.gz XBZLFRUNDFKGTP-QZTJIDSGSA-N 2 1 379.549 0.168 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000431628091 1187275390 /nfs/dbraw/zinc/27/53/90/1187275390.db2.gz MURWTIVAHNACRG-QGZVFWFLSA-N 2 1 397.564 0.633 20 0 GCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892477468 1187428459 /nfs/dbraw/zinc/42/84/59/1187428459.db2.gz CGXJAZBZDXZOFK-ZWKOTPCHSA-N 2 1 381.565 0.860 20 0 GCADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636036183 1187430485 /nfs/dbraw/zinc/43/04/85/1187430485.db2.gz YLRGYQPWJSOBFD-GJZGRUSLSA-N 2 1 389.500 0.831 20 0 GCADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636036183 1187430486 /nfs/dbraw/zinc/43/04/86/1187430486.db2.gz YLRGYQPWJSOBFD-GJZGRUSLSA-N 2 1 389.500 0.831 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(CC(C)(C)O)CC2)CC1 ZINC000658791679 1187484377 /nfs/dbraw/zinc/48/43/77/1187484377.db2.gz FAXVHVKXYIROBS-UHFFFAOYSA-N 2 1 382.549 0.480 20 0 GCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000658791679 1187484378 /nfs/dbraw/zinc/48/43/78/1187484378.db2.gz FAXVHVKXYIROBS-UHFFFAOYSA-N 2 1 382.549 0.480 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000658791679 1187484379 /nfs/dbraw/zinc/48/43/79/1187484379.db2.gz FAXVHVKXYIROBS-UHFFFAOYSA-N 2 1 382.549 0.480 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC000472429588 1187486630 /nfs/dbraw/zinc/48/66/30/1187486630.db2.gz WLKSANDMQKYFBF-ZWKOTPCHSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000612445439 1187493019 /nfs/dbraw/zinc/49/30/19/1187493019.db2.gz LHOUACUEKWAILJ-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000612445439 1187493025 /nfs/dbraw/zinc/49/30/25/1187493025.db2.gz LHOUACUEKWAILJ-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445439 1187493029 /nfs/dbraw/zinc/49/30/29/1187493029.db2.gz LHOUACUEKWAILJ-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445439 1187493031 /nfs/dbraw/zinc/49/30/31/1187493031.db2.gz LHOUACUEKWAILJ-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000612481830 1187504884 /nfs/dbraw/zinc/50/48/84/1187504884.db2.gz FWXGHMMLUYTXQW-QZTJIDSGSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000612485092 1187505693 /nfs/dbraw/zinc/50/56/93/1187505693.db2.gz KINMOFDMGVYVPX-SFHVURJKSA-N 2 1 395.592 0.707 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000612485092 1187505695 /nfs/dbraw/zinc/50/56/95/1187505695.db2.gz KINMOFDMGVYVPX-SFHVURJKSA-N 2 1 395.592 0.707 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000612487421 1187506423 /nfs/dbraw/zinc/50/64/23/1187506423.db2.gz VGSOFCXGVNMYGU-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000612545326 1187522081 /nfs/dbraw/zinc/52/20/81/1187522081.db2.gz JMYKRMLNMOYSTL-KRWDZBQOSA-N 2 1 380.533 0.690 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000612546588 1187522651 /nfs/dbraw/zinc/52/26/51/1187522651.db2.gz UGJZFRHHKQZDAC-SQNIBIBYSA-N 2 1 379.549 0.071 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612596721 1187536085 /nfs/dbraw/zinc/53/60/85/1187536085.db2.gz SJKGQPKZACHCGX-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597006 1187536243 /nfs/dbraw/zinc/53/62/43/1187536243.db2.gz ZLBVBFJXWLTSQU-FUHWJXTLSA-N 2 1 380.533 0.450 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597002 1187536400 /nfs/dbraw/zinc/53/64/00/1187536400.db2.gz ZKTFAFSTBAEORW-PKOBYXMFSA-N 2 1 392.544 0.546 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000612599334 1187538726 /nfs/dbraw/zinc/53/87/26/1187538726.db2.gz TUUAPRKVKVBSAC-LJQANCHMSA-N 2 1 392.544 0.833 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000413845046 1187544039 /nfs/dbraw/zinc/54/40/39/1187544039.db2.gz JMIFPWRWSIKPQS-WNRNVDISSA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000413845046 1187544041 /nfs/dbraw/zinc/54/40/41/1187544041.db2.gz JMIFPWRWSIKPQS-WNRNVDISSA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000413845046 1187544044 /nfs/dbraw/zinc/54/40/44/1187544044.db2.gz JMIFPWRWSIKPQS-WNRNVDISSA-N 2 1 382.549 0.363 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612777873 1187584354 /nfs/dbraw/zinc/58/43/54/1187584354.db2.gz QUGQPTHJYSQVFS-UHFFFAOYSA-N 2 1 380.533 0.140 20 0 GCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876647 1187609903 /nfs/dbraw/zinc/60/99/03/1187609903.db2.gz MNEPPKKHGWZNLO-HZPDHXFCSA-N 2 1 375.521 0.803 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1ccc(C[NH3+])cc1=N ZINC001167691666 1187613039 /nfs/dbraw/zinc/61/30/39/1187613039.db2.gz QAAFYBDPWZCHGW-HNNXBMFYSA-N 2 1 387.484 0.916 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522093 1187664629 /nfs/dbraw/zinc/66/46/29/1187664629.db2.gz PNVZGBISFJRLFV-PMACEKPBSA-N 2 1 393.576 0.786 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051434 1187669147 /nfs/dbraw/zinc/66/91/47/1187669147.db2.gz MWMVDKZRRFKJEL-ZWKOTPCHSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(C)C(C)(C)C[NH+]2CCOCC2)CC1=O ZINC000414051434 1187669148 /nfs/dbraw/zinc/66/91/48/1187669148.db2.gz MWMVDKZRRFKJEL-ZWKOTPCHSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000247030731 1187680749 /nfs/dbraw/zinc/68/07/49/1187680749.db2.gz QQVWILKRMYZLNO-YZGWKJHDSA-N 2 1 395.592 0.937 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C1 ZINC000376322939 1187761579 /nfs/dbraw/zinc/76/15/79/1187761579.db2.gz ORXRGECPAMNRNE-MGNMYUMUSA-N 2 1 381.521 0.090 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C1 ZINC000376322939 1187761584 /nfs/dbraw/zinc/76/15/84/1187761584.db2.gz ORXRGECPAMNRNE-MGNMYUMUSA-N 2 1 381.521 0.090 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C1 ZINC000376322939 1187761587 /nfs/dbraw/zinc/76/15/87/1187761587.db2.gz ORXRGECPAMNRNE-MGNMYUMUSA-N 2 1 381.521 0.090 20 0 GCADMP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000647522901 1187833653 /nfs/dbraw/zinc/83/36/53/1187833653.db2.gz UJSLOYOURWFHEO-HOTGVXAUSA-N 2 1 375.469 0.470 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659112752 1187889128 /nfs/dbraw/zinc/88/91/28/1187889128.db2.gz KYJRQMSMDFVNRE-RDJZCZTQSA-N 2 1 384.484 0.993 20 0 GCADMP CCCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647568662 1187894799 /nfs/dbraw/zinc/89/47/99/1187894799.db2.gz QVWPMBVUWXFLIK-MSOLQXFVSA-N 2 1 380.533 0.500 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659132826 1187900395 /nfs/dbraw/zinc/90/03/95/1187900395.db2.gz HNGKYQCRIWSXDG-SFHVURJKSA-N 2 1 392.544 0.644 20 0 GCADMP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659132826 1187900398 /nfs/dbraw/zinc/90/03/98/1187900398.db2.gz HNGKYQCRIWSXDG-SFHVURJKSA-N 2 1 392.544 0.644 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000659132808 1187900447 /nfs/dbraw/zinc/90/04/47/1187900447.db2.gz GXZPFYHRDKEXJO-QGZVFWFLSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000659132808 1187900450 /nfs/dbraw/zinc/90/04/50/1187900450.db2.gz GXZPFYHRDKEXJO-QGZVFWFLSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH+]1CC(C)(C)O ZINC000659132808 1187900452 /nfs/dbraw/zinc/90/04/52/1187900452.db2.gz GXZPFYHRDKEXJO-QGZVFWFLSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+]1CC(C)(C)O ZINC000659132808 1187900455 /nfs/dbraw/zinc/90/04/55/1187900455.db2.gz GXZPFYHRDKEXJO-QGZVFWFLSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000584515598 1187917672 /nfs/dbraw/zinc/91/76/72/1187917672.db2.gz DLDJBZPAJJGYSD-OXQOHEQNSA-N 2 1 378.517 0.252 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000584515598 1187917676 /nfs/dbraw/zinc/91/76/76/1187917676.db2.gz DLDJBZPAJJGYSD-OXQOHEQNSA-N 2 1 378.517 0.252 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000584515598 1187917679 /nfs/dbraw/zinc/91/76/79/1187917679.db2.gz DLDJBZPAJJGYSD-OXQOHEQNSA-N 2 1 378.517 0.252 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000659287545 1187924960 /nfs/dbraw/zinc/92/49/60/1187924960.db2.gz IXURYHRIJUDCQX-UHFFFAOYSA-N 2 1 385.472 0.196 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344793 1187946781 /nfs/dbraw/zinc/94/67/81/1187946781.db2.gz KVPRJRITFFEGSP-QZTJIDSGSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344793 1187946784 /nfs/dbraw/zinc/94/67/84/1187946784.db2.gz KVPRJRITFFEGSP-QZTJIDSGSA-N 2 1 379.549 0.166 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3occc3C[NH+](C)C)C2)CC[N@H+]1C ZINC001025344313 1187957219 /nfs/dbraw/zinc/95/72/19/1187957219.db2.gz SJHDPYLCNJUCOL-YLFCFFPRSA-N 2 1 392.500 0.373 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@H]1C ZINC000659433445 1187958248 /nfs/dbraw/zinc/95/82/48/1187958248.db2.gz KDEPEKHNMBOHBJ-VUHPKUFZSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@H]1C ZINC000659433445 1187958249 /nfs/dbraw/zinc/95/82/49/1187958249.db2.gz KDEPEKHNMBOHBJ-VUHPKUFZSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@H]1C ZINC000659433445 1187958255 /nfs/dbraw/zinc/95/82/55/1187958255.db2.gz KDEPEKHNMBOHBJ-VUHPKUFZSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H]1C ZINC000659433445 1187958256 /nfs/dbraw/zinc/95/82/56/1187958256.db2.gz KDEPEKHNMBOHBJ-VUHPKUFZSA-N 2 1 392.544 0.375 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659452445 1187960766 /nfs/dbraw/zinc/96/07/66/1187960766.db2.gz BVOFGVYWBMKANM-HDMKZQKVSA-N 2 1 381.471 0.955 20 0 GCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513460 1187967181 /nfs/dbraw/zinc/96/71/81/1187967181.db2.gz YDFVFQDSZZUXQU-NXHRZFHOSA-N 2 1 378.517 0.251 20 0 GCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659534515 1187968025 /nfs/dbraw/zinc/96/80/25/1187968025.db2.gz AHVXZSGCIIRURT-WIYYLYMNSA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)C1 ZINC000659534515 1187968026 /nfs/dbraw/zinc/96/80/26/1187968026.db2.gz AHVXZSGCIIRURT-WIYYLYMNSA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)C1 ZINC000659534515 1187968027 /nfs/dbraw/zinc/96/80/27/1187968027.db2.gz AHVXZSGCIIRURT-WIYYLYMNSA-N 2 1 391.560 0.169 20 0 GCADMP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000659580799 1187972909 /nfs/dbraw/zinc/97/29/09/1187972909.db2.gz FITXLPPNCRBZAN-LUXYFRNMSA-N 2 1 380.439 0.871 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000659627270 1187977387 /nfs/dbraw/zinc/97/73/87/1187977387.db2.gz USKWDIQNYYGPDJ-MOPGFXCFSA-N 2 1 375.517 0.562 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000659627270 1187977390 /nfs/dbraw/zinc/97/73/90/1187977390.db2.gz USKWDIQNYYGPDJ-MOPGFXCFSA-N 2 1 375.517 0.562 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000659684354 1187995632 /nfs/dbraw/zinc/99/56/32/1187995632.db2.gz HDUMYGCOBUCUPR-BPQIPLTHSA-N 2 1 382.549 0.825 20 0 GCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683461 1187998606 /nfs/dbraw/zinc/99/86/06/1187998606.db2.gz ZCVZCWZGHNDAQB-UKRRQHHQSA-N 2 1 398.467 0.209 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659698402 1187999226 /nfs/dbraw/zinc/99/92/26/1187999226.db2.gz NAPKCJRQDUCQAC-SJLPKXTDSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000659698402 1187999229 /nfs/dbraw/zinc/99/92/29/1187999229.db2.gz NAPKCJRQDUCQAC-SJLPKXTDSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000659698402 1187999232 /nfs/dbraw/zinc/99/92/32/1187999232.db2.gz NAPKCJRQDUCQAC-SJLPKXTDSA-N 2 1 375.517 0.206 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000659706185 1188002324 /nfs/dbraw/zinc/00/23/24/1188002324.db2.gz FVCPHFCQSCJBQU-XJKSGUPXSA-N 2 1 398.467 0.036 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000659706183 1188002550 /nfs/dbraw/zinc/00/25/50/1188002550.db2.gz FVCPHFCQSCJBQU-CJNGLKHVSA-N 2 1 398.467 0.036 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000659698677 1188003374 /nfs/dbraw/zinc/00/33/74/1188003374.db2.gz HZHDFIGCFZEIGE-MRXNPFEDSA-N 2 1 375.517 0.509 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000415472762 1188088393 /nfs/dbraw/zinc/08/83/93/1188088393.db2.gz YWBHYYYEILZSRJ-UHFFFAOYSA-N 2 1 389.500 0.185 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)CC2)C[C@H](C)O1 ZINC000377647159 1188094855 /nfs/dbraw/zinc/09/48/55/1188094855.db2.gz LTVIZVBNTMGVCJ-SCTDSRPQSA-N 2 1 394.560 0.744 20 0 GCADMP Cc1cc(NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn2cc[nH+]c12 ZINC000415688979 1188141148 /nfs/dbraw/zinc/14/11/48/1188141148.db2.gz JAQUFLBJJFFKJH-CYBMUJFWSA-N 2 1 398.389 0.534 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000415856273 1189383446 /nfs/dbraw/zinc/38/34/46/1189383446.db2.gz ZOJCWVSHEJHOQW-UONOGXRCSA-N 2 1 375.473 0.569 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000415856274 1189383539 /nfs/dbraw/zinc/38/35/39/1189383539.db2.gz ZOJCWVSHEJHOQW-ZIAGYGMSSA-N 2 1 375.473 0.569 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958719 1189409951 /nfs/dbraw/zinc/40/99/51/1189409951.db2.gz XMEUPZIKLTVVNN-UHFFFAOYSA-N 2 1 391.520 0.708 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC[C@]3(O)CC[NH+](C)C3)C2)cc(OC)c1 ZINC000460263893 1189459182 /nfs/dbraw/zinc/45/91/82/1189459182.db2.gz IRPZPRNFUDQFKL-OXJNMPFZSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NC[C@]3(O)CC[NH+](C)C3)C2)cc(OC)c1 ZINC000460263893 1189459185 /nfs/dbraw/zinc/45/91/85/1189459185.db2.gz IRPZPRNFUDQFKL-OXJNMPFZSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](NC(=O)NC[C@]3(O)CC[N@H+](C)C3)C2)cc(OC)c1 ZINC000460263893 1189459188 /nfs/dbraw/zinc/45/91/88/1189459188.db2.gz IRPZPRNFUDQFKL-OXJNMPFZSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](NC(=O)NC[C@]3(O)CC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000460263893 1189459189 /nfs/dbraw/zinc/45/91/89/1189459189.db2.gz IRPZPRNFUDQFKL-OXJNMPFZSA-N 2 1 392.500 0.644 20 0 GCADMP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363809493 1189494787 /nfs/dbraw/zinc/49/47/87/1189494787.db2.gz BOKGVUUJMQMNAX-IBGZPJMESA-N 2 1 381.565 0.907 20 0 GCADMP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000363809493 1189494790 /nfs/dbraw/zinc/49/47/90/1189494790.db2.gz BOKGVUUJMQMNAX-IBGZPJMESA-N 3 1 381.565 0.907 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893238608 1189508503 /nfs/dbraw/zinc/50/85/03/1189508503.db2.gz OADWDJSHXCYOQL-QRVBRYPASA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238608 1189508508 /nfs/dbraw/zinc/50/85/08/1189508508.db2.gz OADWDJSHXCYOQL-QRVBRYPASA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893238608 1189508513 /nfs/dbraw/zinc/50/85/13/1189508513.db2.gz OADWDJSHXCYOQL-QRVBRYPASA-N 2 1 381.565 0.501 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000378510890 1189523608 /nfs/dbraw/zinc/52/36/08/1189523608.db2.gz JEJBYCIGPVCVOG-ROUUACIJSA-N 2 1 398.548 0.966 20 0 GCADMP CN1CCC(CNC(=O)N2CCN(C)CC[N@@H+](C)CC2)([NH+]2CCCCC2)CC1 ZINC000893267619 1189570257 /nfs/dbraw/zinc/57/02/57/1189570257.db2.gz MLJMJINFTMPPDQ-UHFFFAOYSA-N 2 1 394.608 0.826 20 0 GCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cn1 ZINC000570428934 1189570926 /nfs/dbraw/zinc/57/09/26/1189570926.db2.gz OXVURAHMTFKEIS-SFHVURJKSA-N 2 1 378.521 0.889 20 0 GCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cn1 ZINC000570428934 1189570931 /nfs/dbraw/zinc/57/09/31/1189570931.db2.gz OXVURAHMTFKEIS-SFHVURJKSA-N 2 1 378.521 0.889 20 0 GCADMP CC[C@@]1(C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000580330025 1189578602 /nfs/dbraw/zinc/57/86/02/1189578602.db2.gz VKODMNFOMDTRBH-FQEVSTJZSA-N 2 1 380.533 0.596 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000416828502 1189586459 /nfs/dbraw/zinc/58/64/59/1189586459.db2.gz DXAMRIFDQGUXNZ-FUHWJXTLSA-N 2 1 375.517 0.987 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000416859552 1189588956 /nfs/dbraw/zinc/58/89/56/1189588956.db2.gz BBKLZMYWEPFDET-LMMKCTJWSA-N 2 1 395.548 0.289 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1 ZINC000416859553 1189589353 /nfs/dbraw/zinc/58/93/53/1189589353.db2.gz BBKLZMYWEPFDET-SCTDSRPQSA-N 2 1 395.548 0.289 20 0 GCADMP C[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C[NH3+])C1 ZINC000416941988 1189596238 /nfs/dbraw/zinc/59/62/38/1189596238.db2.gz CTCIDHPUAFBYOG-IRXDYDNUSA-N 2 1 375.521 0.758 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416944548 1189599072 /nfs/dbraw/zinc/59/90/72/1189599072.db2.gz GGOVJAJYFMDVKO-SJORKVTESA-N 2 1 375.521 0.900 20 0 GCADMP CC(C)[C@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000416946769 1189599235 /nfs/dbraw/zinc/59/92/35/1189599235.db2.gz XOOXADLJKONNOQ-LSDHHAIUSA-N 2 1 395.470 0.479 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416946791 1189599399 /nfs/dbraw/zinc/59/93/99/1189599399.db2.gz IUKOKXSIUUMLDB-DLBZAZTESA-N 2 1 375.521 0.758 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000416956618 1189602160 /nfs/dbraw/zinc/60/21/60/1189602160.db2.gz NFTHUUABGSZMLR-RBUKOAKNSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H]([NH3+])C1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000416960439 1189602808 /nfs/dbraw/zinc/60/28/08/1189602808.db2.gz WEZORQHPXLWONB-MRXNPFEDSA-N 2 1 375.521 0.758 20 0 GCADMP COCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000511594772 1189604181 /nfs/dbraw/zinc/60/41/81/1189604181.db2.gz DCMHNYUPHMLDOP-SJORKVTESA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000417044340 1189612642 /nfs/dbraw/zinc/61/26/42/1189612642.db2.gz XVQKXSWLYVQBMX-KSZLIROESA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000417044340 1189612645 /nfs/dbraw/zinc/61/26/45/1189612645.db2.gz XVQKXSWLYVQBMX-KSZLIROESA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417117801 1189619175 /nfs/dbraw/zinc/61/91/75/1189619175.db2.gz RAZMMRFZBWPAPX-GOEBONIOSA-N 2 1 393.557 0.991 20 0 GCADMP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417117801 1189619178 /nfs/dbraw/zinc/61/91/78/1189619178.db2.gz RAZMMRFZBWPAPX-GOEBONIOSA-N 2 1 393.557 0.991 20 0 GCADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417134729 1189623741 /nfs/dbraw/zinc/62/37/41/1189623741.db2.gz ATRLQZIJKIBOGX-FQEVSTJZSA-N 2 1 389.544 0.872 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000364036718 1189625227 /nfs/dbraw/zinc/62/52/27/1189625227.db2.gz LZWHRSZNNSPYCE-OXQOHEQNSA-N 2 1 393.532 0.581 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000364036716 1189625329 /nfs/dbraw/zinc/62/53/29/1189625329.db2.gz LZWHRSZNNSPYCE-OXJNMPFZSA-N 2 1 393.532 0.581 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000186966996 1189628453 /nfs/dbraw/zinc/62/84/53/1189628453.db2.gz MWMQAWMWHCAHGD-SFHVURJKSA-N 2 1 389.544 0.897 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000186966973 1189628844 /nfs/dbraw/zinc/62/88/44/1189628844.db2.gz MWMQAWMWHCAHGD-GOSISDBHSA-N 2 1 389.544 0.897 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417224777 1189632602 /nfs/dbraw/zinc/63/26/02/1189632602.db2.gz WGCKMPXPEBRHGL-HNNXBMFYSA-N 2 1 379.530 0.603 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417224777 1189632603 /nfs/dbraw/zinc/63/26/03/1189632603.db2.gz WGCKMPXPEBRHGL-HNNXBMFYSA-N 2 1 379.530 0.603 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@@H+]1CCO ZINC000660171387 1189632679 /nfs/dbraw/zinc/63/26/79/1189632679.db2.gz XVANAIKTKOKFHA-QGZVFWFLSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@H+]1CCO ZINC000660171387 1189632683 /nfs/dbraw/zinc/63/26/83/1189632683.db2.gz XVANAIKTKOKFHA-QGZVFWFLSA-N 2 1 380.533 0.378 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)NCCN3CC[NH2+]CC3)c2)CCO1 ZINC000417266656 1189638534 /nfs/dbraw/zinc/63/85/34/1189638534.db2.gz FHDANQRHOSBGQQ-QGZVFWFLSA-N 2 1 375.517 0.612 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)NCCN3CC[NH2+]CC3)c2)CCO1 ZINC000417266656 1189638539 /nfs/dbraw/zinc/63/85/39/1189638539.db2.gz FHDANQRHOSBGQQ-QGZVFWFLSA-N 2 1 375.517 0.612 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000417387510 1189655988 /nfs/dbraw/zinc/65/59/88/1189655988.db2.gz NPAVWFZTSRPRFK-GOSISDBHSA-N 2 1 376.505 0.353 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000417387519 1189656152 /nfs/dbraw/zinc/65/61/52/1189656152.db2.gz NPAVWFZTSRPRFK-SFHVURJKSA-N 2 1 376.505 0.353 20 0 GCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000417386170 1189656315 /nfs/dbraw/zinc/65/63/15/1189656315.db2.gz MNNPERWVAJAYMM-GOSISDBHSA-N 2 1 376.505 0.271 20 0 GCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417386174 1189656525 /nfs/dbraw/zinc/65/65/25/1189656525.db2.gz MNNPERWVAJAYMM-SFHVURJKSA-N 2 1 376.505 0.271 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417435346 1189661955 /nfs/dbraw/zinc/66/19/55/1189661955.db2.gz YGDSPIUZKNUFKU-KSZLIROESA-N 2 1 379.549 0.960 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417429267 1189662857 /nfs/dbraw/zinc/66/28/57/1189662857.db2.gz MSRUIIVKBYJUPB-QZTJIDSGSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000584808547 1189676770 /nfs/dbraw/zinc/67/67/70/1189676770.db2.gz VPHVXIWJYKICBA-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000584808547 1189676774 /nfs/dbraw/zinc/67/67/74/1189676774.db2.gz VPHVXIWJYKICBA-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000431955808 1189686619 /nfs/dbraw/zinc/68/66/19/1189686619.db2.gz AMXFCWHQHRTPAO-XKGZKEIXSA-N 2 1 393.532 0.621 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000584850336 1189692282 /nfs/dbraw/zinc/69/22/82/1189692282.db2.gz OVTBKZMXYBNNEJ-BPUTZDHNSA-N 2 1 375.473 0.251 20 0 GCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000417668133 1189694653 /nfs/dbraw/zinc/69/46/53/1189694653.db2.gz JJENWCICOWQZEX-KRWDZBQOSA-N 2 1 392.500 0.740 20 0 GCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)CC2 ZINC000417668133 1189694657 /nfs/dbraw/zinc/69/46/57/1189694657.db2.gz JJENWCICOWQZEX-KRWDZBQOSA-N 2 1 392.500 0.740 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000417673864 1189695026 /nfs/dbraw/zinc/69/50/26/1189695026.db2.gz XLKCJBRSNBGSSD-QRVBRYPASA-N 2 1 381.565 0.813 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@@H](C)C1 ZINC000417673862 1189695294 /nfs/dbraw/zinc/69/52/94/1189695294.db2.gz XLKCJBRSNBGSSD-FHWLQOOXSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417734992 1189700418 /nfs/dbraw/zinc/70/04/18/1189700418.db2.gz SFEKMYBORAQKTL-IBGZPJMESA-N 2 1 388.560 0.792 20 0 GCADMP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000660275218 1189700471 /nfs/dbraw/zinc/70/04/71/1189700471.db2.gz STCUWCRDSUCLRK-QGZVFWFLSA-N 2 1 375.521 0.772 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000660275218 1189700476 /nfs/dbraw/zinc/70/04/76/1189700476.db2.gz STCUWCRDSUCLRK-QGZVFWFLSA-N 2 1 375.521 0.772 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417734993 1189701183 /nfs/dbraw/zinc/70/11/83/1189701183.db2.gz SFEKMYBORAQKTL-LJQANCHMSA-N 2 1 388.560 0.792 20 0 GCADMP COC[C@@]1(CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]1 ZINC000417742363 1189703264 /nfs/dbraw/zinc/70/32/64/1189703264.db2.gz KBPKWEBHFVYNGS-PXNSSMCTSA-N 2 1 390.532 0.660 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855622 1189706342 /nfs/dbraw/zinc/70/63/42/1189706342.db2.gz JAFMTUSUSJUNBW-VQIMIIECSA-N 2 1 392.500 0.956 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855622 1189706345 /nfs/dbraw/zinc/70/63/45/1189706345.db2.gz JAFMTUSUSJUNBW-VQIMIIECSA-N 2 1 392.500 0.956 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000660342473 1189722315 /nfs/dbraw/zinc/72/23/15/1189722315.db2.gz DQANHXSWESAINW-SJORKVTESA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115036 1189723919 /nfs/dbraw/zinc/72/39/19/1189723919.db2.gz NELJSFIBAZPTIQ-IRXDYDNUSA-N 2 1 381.521 0.093 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115036 1189723921 /nfs/dbraw/zinc/72/39/21/1189723921.db2.gz NELJSFIBAZPTIQ-IRXDYDNUSA-N 2 1 381.521 0.093 20 0 GCADMP COC(=O)[C@@H]1C[N@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1c1ccc(O)cc1 ZINC000296717076 1189727040 /nfs/dbraw/zinc/72/70/40/1189727040.db2.gz MOEIERJLJUBAMW-ZWKOTPCHSA-N 2 1 375.469 0.745 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C[C@H]1c1ccc(O)cc1 ZINC000296717076 1189727044 /nfs/dbraw/zinc/72/70/44/1189727044.db2.gz MOEIERJLJUBAMW-ZWKOTPCHSA-N 2 1 375.469 0.745 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)NCCCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000418283675 1189747222 /nfs/dbraw/zinc/74/72/22/1189747222.db2.gz AJXZPYGRTGXPEJ-HDICACEKSA-N 2 1 381.565 0.813 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418297903 1189753584 /nfs/dbraw/zinc/75/35/84/1189753584.db2.gz LIXGMOISUXHFTH-PMACEKPBSA-N 2 1 389.544 0.464 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NCC[NH+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809712 /nfs/dbraw/zinc/80/97/12/1189809712.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 1 389.544 0.731 20 0 GCADMP CN1CC[NH+](CCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809721 /nfs/dbraw/zinc/80/97/21/1189809721.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 1 389.544 0.731 20 0 GCADMP CN1CC[NH+](CCCNC(=O)NCC[N@H+]2CC[C@H](O)C2)[C@@H](c2ccccc2)C1 ZINC000636560416 1189809729 /nfs/dbraw/zinc/80/97/29/1189809729.db2.gz SOOHGSSVRGSMTM-VQTJNVASSA-N 2 1 389.544 0.731 20 0 GCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567038 1189862635 /nfs/dbraw/zinc/86/26/35/1189862635.db2.gz UIPBCYRWPLVSAN-PKOBYXMFSA-N 2 1 375.517 0.563 20 0 GCADMP C[C@@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567038 1189862644 /nfs/dbraw/zinc/86/26/44/1189862644.db2.gz UIPBCYRWPLVSAN-PKOBYXMFSA-N 2 1 375.517 0.563 20 0 GCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1 ZINC000432187196 1189912218 /nfs/dbraw/zinc/91/22/18/1189912218.db2.gz OQXVMZHDMSQZLO-SFHVURJKSA-N 2 1 380.533 0.546 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000660864831 1189959316 /nfs/dbraw/zinc/95/93/16/1189959316.db2.gz PLGMIFXWMYCSRX-UXHICEINSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000660864831 1189959320 /nfs/dbraw/zinc/95/93/20/1189959320.db2.gz PLGMIFXWMYCSRX-UXHICEINSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(NC[C@H]1CCC[NH+](CC2CC2)C1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864831 1189959322 /nfs/dbraw/zinc/95/93/22/1189959322.db2.gz PLGMIFXWMYCSRX-UXHICEINSA-N 2 1 393.576 0.814 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@@H]32)O1 ZINC000975769538 1189975175 /nfs/dbraw/zinc/97/51/75/1189975175.db2.gz ZMGUQFVZNGOGBD-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+](C)C4CCC4)C[C@@H]32)O1 ZINC000975769538 1189975178 /nfs/dbraw/zinc/97/51/78/1189975178.db2.gz ZMGUQFVZNGOGBD-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[N@H+](C)C4CCC4)C[C@@H]32)O1 ZINC000975769538 1189975181 /nfs/dbraw/zinc/97/51/81/1189975181.db2.gz ZMGUQFVZNGOGBD-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]32)O1 ZINC000975769538 1189975184 /nfs/dbraw/zinc/97/51/84/1189975184.db2.gz ZMGUQFVZNGOGBD-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cn1 ZINC000662743970 1190015365 /nfs/dbraw/zinc/01/53/65/1190015365.db2.gz BEPMHVHZZIGUAQ-MRXNPFEDSA-N 2 1 380.399 0.478 20 0 GCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000661237377 1190019670 /nfs/dbraw/zinc/01/96/70/1190019670.db2.gz MPEWQPHJJVVNIQ-KSZLIROESA-N 2 1 378.517 0.252 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000661237377 1190019680 /nfs/dbraw/zinc/01/96/80/1190019680.db2.gz MPEWQPHJJVVNIQ-KSZLIROESA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758002 1190021177 /nfs/dbraw/zinc/02/11/77/1190021177.db2.gz NIIJDKLXFYYQPJ-IRXDYDNUSA-N 2 1 375.521 0.445 20 0 GCADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662792481 1190032152 /nfs/dbraw/zinc/03/21/52/1190032152.db2.gz VZBVAVHAGMNWNI-SFHVURJKSA-N 2 1 395.592 0.694 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419226605 1193728321 /nfs/dbraw/zinc/72/83/21/1193728321.db2.gz RBHJPUAMXPAXQS-MSOLQXFVSA-N 2 1 378.517 0.500 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000419228210 1193734445 /nfs/dbraw/zinc/73/44/45/1193734445.db2.gz GONVCEMFOFVQBM-ZFWWWQNUSA-N 2 1 380.514 0.106 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2sccc2C1 ZINC000419228210 1193734448 /nfs/dbraw/zinc/73/44/48/1193734448.db2.gz GONVCEMFOFVQBM-ZFWWWQNUSA-N 2 1 380.514 0.106 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419228767 1193738266 /nfs/dbraw/zinc/73/82/66/1193738266.db2.gz MRMXPRGGLMUJEV-NZSAHSFTSA-N 2 1 388.512 0.589 20 0 GCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC[NH+]2CCSCC2)cc1F ZINC000411232866 1193740288 /nfs/dbraw/zinc/74/02/88/1193740288.db2.gz UHEQGUVRQJRWLB-UHFFFAOYSA-N 2 1 398.504 0.870 20 0 GCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000419231216 1193742379 /nfs/dbraw/zinc/74/23/79/1193742379.db2.gz RPKNPKOCFUENLZ-KRWDZBQOSA-N 2 1 380.533 0.724 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000419235506 1193744674 /nfs/dbraw/zinc/74/46/74/1193744674.db2.gz MYUKSKVYFINUIA-IJEWVQPXSA-N 2 1 376.526 0.679 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000419235506 1193744680 /nfs/dbraw/zinc/74/46/80/1193744680.db2.gz MYUKSKVYFINUIA-IJEWVQPXSA-N 2 1 376.526 0.679 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233970 1193745123 /nfs/dbraw/zinc/74/51/23/1193745123.db2.gz XAHLQPOYMJKDOM-IEBWSBKVSA-N 2 1 387.528 0.035 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000419238193 1193753104 /nfs/dbraw/zinc/75/31/04/1193753104.db2.gz CXRDYCOGBSDZAX-DZFIZOCASA-N 2 1 390.528 0.611 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419240225 1193754605 /nfs/dbraw/zinc/75/46/05/1193754605.db2.gz QZNRBGGFRUYDEI-RLFYNMQTSA-N 2 1 388.512 0.779 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419240225 1193754608 /nfs/dbraw/zinc/75/46/08/1193754608.db2.gz QZNRBGGFRUYDEI-RLFYNMQTSA-N 2 1 388.512 0.779 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419245440 1193758127 /nfs/dbraw/zinc/75/81/27/1193758127.db2.gz VUXCKOVMNLVIGE-ZYSHUDEJSA-N 2 1 388.512 0.514 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419245440 1193758131 /nfs/dbraw/zinc/75/81/31/1193758131.db2.gz VUXCKOVMNLVIGE-ZYSHUDEJSA-N 2 1 388.512 0.514 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419245439 1193758225 /nfs/dbraw/zinc/75/82/25/1193758225.db2.gz VUXCKOVMNLVIGE-KFKAGJAMSA-N 2 1 388.512 0.514 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419245439 1193758227 /nfs/dbraw/zinc/75/82/27/1193758227.db2.gz VUXCKOVMNLVIGE-KFKAGJAMSA-N 2 1 388.512 0.514 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000512808109 1193773767 /nfs/dbraw/zinc/77/37/67/1193773767.db2.gz NJASDLGDNGRPMX-UHFFFAOYSA-N 2 1 383.581 0.892 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)cn2)CC1 ZINC000512861374 1193789047 /nfs/dbraw/zinc/78/90/47/1193789047.db2.gz OEYDMPIJIJGWKL-IRXDYDNUSA-N 2 1 396.561 0.426 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000433330714 1193808316 /nfs/dbraw/zinc/80/83/16/1193808316.db2.gz CTSBAFYMKKCWPO-QGZVFWFLSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCO1 ZINC000433341794 1193811660 /nfs/dbraw/zinc/81/16/60/1193811660.db2.gz UHHMIWQDBNAVEG-INIZCTEOSA-N 2 1 383.537 0.339 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCO1 ZINC000433341794 1193811663 /nfs/dbraw/zinc/81/16/63/1193811663.db2.gz UHHMIWQDBNAVEG-INIZCTEOSA-N 2 1 383.537 0.339 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395945 1193824891 /nfs/dbraw/zinc/82/48/91/1193824891.db2.gz BUQCVPOYUFANBO-SJORKVTESA-N 2 1 383.537 0.374 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395945 1193824893 /nfs/dbraw/zinc/82/48/93/1193824893.db2.gz BUQCVPOYUFANBO-SJORKVTESA-N 2 1 383.537 0.374 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CCCO1 ZINC000433395945 1193824895 /nfs/dbraw/zinc/82/48/95/1193824895.db2.gz BUQCVPOYUFANBO-SJORKVTESA-N 2 1 383.537 0.374 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000419334597 1193826465 /nfs/dbraw/zinc/82/64/65/1193826465.db2.gz JFYJQYQIAJIOGA-UHFFFAOYSA-N 2 1 399.539 0.476 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000419335791 1193827948 /nfs/dbraw/zinc/82/79/48/1193827948.db2.gz KCEXMLAAMPAHCZ-INIZCTEOSA-N 2 1 375.517 0.294 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000419337835 1193833348 /nfs/dbraw/zinc/83/33/48/1193833348.db2.gz LHGFFAONZHMYKM-MRXNPFEDSA-N 2 1 375.517 0.294 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419353563 1193848287 /nfs/dbraw/zinc/84/82/87/1193848287.db2.gz JVUHEJSLRWHYEG-YOEHRIQHSA-N 2 1 398.454 0.221 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CCCO1 ZINC000433462831 1193866342 /nfs/dbraw/zinc/86/63/42/1193866342.db2.gz LZYPFSBOSDXERZ-GOSISDBHSA-N 2 1 395.548 0.437 20 0 GCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419366479 1193867870 /nfs/dbraw/zinc/86/78/70/1193867870.db2.gz YVGVNKLDLYHZDU-SFHVURJKSA-N 2 1 388.516 0.050 20 0 GCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000419385701 1193895945 /nfs/dbraw/zinc/89/59/45/1193895945.db2.gz AUNPTZLLBFCZDA-GOSISDBHSA-N 2 1 390.553 0.918 20 0 GCADMP [NH3+]CC1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000419385701 1193895950 /nfs/dbraw/zinc/89/59/50/1193895950.db2.gz AUNPTZLLBFCZDA-GOSISDBHSA-N 2 1 390.553 0.918 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000549924071 1193901660 /nfs/dbraw/zinc/90/16/60/1193901660.db2.gz REAWEWXYDWGHII-SFHVURJKSA-N 2 1 389.544 0.771 20 0 GCADMP O=C(CC[NH+]1CCOCC1)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000729380845 1193917183 /nfs/dbraw/zinc/91/71/83/1193917183.db2.gz WRFUTUSJMWODFA-UHFFFAOYSA-N 2 1 376.505 0.217 20 0 GCADMP COCC1(C(=O)Nc2ccc(CC(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000262372499 1193946634 /nfs/dbraw/zinc/94/66/34/1193946634.db2.gz MFRLXWANPYWSHU-UHFFFAOYSA-N 2 1 388.512 0.958 20 0 GCADMP CS(=O)(=O)C1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000262440177 1193948347 /nfs/dbraw/zinc/94/83/47/1193948347.db2.gz UUTNOLWKMBMPGB-GOSISDBHSA-N 2 1 393.553 0.834 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000513464528 1193953869 /nfs/dbraw/zinc/95/38/69/1193953869.db2.gz ZJAUZHVUBIXYLL-INIZCTEOSA-N 2 1 384.565 0.896 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549943200 1193971496 /nfs/dbraw/zinc/97/14/96/1193971496.db2.gz RLCMGGKSGOUJMK-QGZVFWFLSA-N 2 1 380.533 0.738 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549943200 1193971498 /nfs/dbraw/zinc/97/14/98/1193971498.db2.gz RLCMGGKSGOUJMK-QGZVFWFLSA-N 2 1 380.533 0.738 20 0 GCADMP O=C(NCC[NH+]1CC=CCC1)[C@H]1CC[C@H](C(=O)NCC[N@@H+]2CC=CCC2)O1 ZINC000280372734 1193989737 /nfs/dbraw/zinc/98/97/37/1193989737.db2.gz ZBKWGPZXKAJJMT-QZTJIDSGSA-N 2 1 376.501 0.290 20 0 GCADMP O=C(NCC[NH+]1CC=CCC1)[C@@H]1CC[C@@H](C(=O)NCC[N@@H+]2CC=CCC2)O1 ZINC000280372735 1193989808 /nfs/dbraw/zinc/98/98/08/1193989808.db2.gz ZBKWGPZXKAJJMT-ROUUACIJSA-N 2 1 376.501 0.290 20 0 GCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419399980 1194018959 /nfs/dbraw/zinc/01/89/59/1194018959.db2.gz KYTIUIPSFGCKNC-IAGOWNOFSA-N 2 1 376.526 0.527 20 0 GCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419399980 1194018964 /nfs/dbraw/zinc/01/89/64/1194018964.db2.gz KYTIUIPSFGCKNC-IAGOWNOFSA-N 2 1 376.526 0.527 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419398931 1194019142 /nfs/dbraw/zinc/01/91/42/1194019142.db2.gz IRXFCNHSCOAUQF-KRWDZBQOSA-N 2 1 376.526 0.542 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1CCC[NH2+]CC1 ZINC000419398931 1194019147 /nfs/dbraw/zinc/01/91/47/1194019147.db2.gz IRXFCNHSCOAUQF-KRWDZBQOSA-N 2 1 376.526 0.542 20 0 GCADMP [NH3+]C1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000419400782 1194019207 /nfs/dbraw/zinc/01/92/07/1194019207.db2.gz NHONLQRNSSKURG-KRWDZBQOSA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+]C1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000419400782 1194019212 /nfs/dbraw/zinc/01/92/12/1194019212.db2.gz NHONLQRNSSKURG-KRWDZBQOSA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419399979 1194019286 /nfs/dbraw/zinc/01/92/86/1194019286.db2.gz KYTIUIPSFGCKNC-DLBZAZTESA-N 2 1 376.526 0.527 20 0 GCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419399979 1194019289 /nfs/dbraw/zinc/01/92/89/1194019289.db2.gz KYTIUIPSFGCKNC-DLBZAZTESA-N 2 1 376.526 0.527 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401780 1194020072 /nfs/dbraw/zinc/02/00/72/1194020072.db2.gz PMTDCFOUYNZCCX-IRXDYDNUSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401780 1194020076 /nfs/dbraw/zinc/02/00/76/1194020076.db2.gz PMTDCFOUYNZCCX-IRXDYDNUSA-N 2 1 376.526 0.588 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402094 1194020390 /nfs/dbraw/zinc/02/03/90/1194020390.db2.gz QEIUFXUAVHQNRA-NJAFHUGGSA-N 2 1 390.553 0.977 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402094 1194020398 /nfs/dbraw/zinc/02/03/98/1194020398.db2.gz QEIUFXUAVHQNRA-NJAFHUGGSA-N 2 1 390.553 0.977 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000419418483 1194022555 /nfs/dbraw/zinc/02/25/55/1194022555.db2.gz LDYBEIAXGXKHSC-MOPGFXCFSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000419418483 1194022559 /nfs/dbraw/zinc/02/25/59/1194022559.db2.gz LDYBEIAXGXKHSC-MOPGFXCFSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000419418483 1194022563 /nfs/dbraw/zinc/02/25/63/1194022563.db2.gz LDYBEIAXGXKHSC-MOPGFXCFSA-N 2 1 387.528 0.431 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419420456 1194023473 /nfs/dbraw/zinc/02/34/73/1194023473.db2.gz NAPOKKONPBTGPU-HKUYNNGSSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419420456 1194023477 /nfs/dbraw/zinc/02/34/77/1194023477.db2.gz NAPOKKONPBTGPU-HKUYNNGSSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419420456 1194023480 /nfs/dbraw/zinc/02/34/80/1194023480.db2.gz NAPOKKONPBTGPU-HKUYNNGSSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419420149 1194023704 /nfs/dbraw/zinc/02/37/04/1194023704.db2.gz MLFVDAQJBUTBQM-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419421269 1194024125 /nfs/dbraw/zinc/02/41/25/1194024125.db2.gz OKEZDKDZGHJZAZ-LJQANCHMSA-N 2 1 389.544 0.410 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421427 1194024138 /nfs/dbraw/zinc/02/41/38/1194024138.db2.gz VTAXODPLFLITDX-ROUUACIJSA-N 2 1 376.501 0.508 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421427 1194024141 /nfs/dbraw/zinc/02/41/41/1194024141.db2.gz VTAXODPLFLITDX-ROUUACIJSA-N 2 1 376.501 0.508 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419421274 1194024347 /nfs/dbraw/zinc/02/43/47/1194024347.db2.gz OLMLGLGICWAAOD-FQEVSTJZSA-N 2 1 399.539 0.517 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419421274 1194024351 /nfs/dbraw/zinc/02/43/51/1194024351.db2.gz OLMLGLGICWAAOD-FQEVSTJZSA-N 2 1 399.539 0.517 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC2=CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000419421274 1194024354 /nfs/dbraw/zinc/02/43/54/1194024354.db2.gz OLMLGLGICWAAOD-FQEVSTJZSA-N 2 1 399.539 0.517 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424737 1194025274 /nfs/dbraw/zinc/02/52/74/1194025274.db2.gz ULIYLQRPFATYMW-FUHWJXTLSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419424737 1194025278 /nfs/dbraw/zinc/02/52/78/1194025278.db2.gz ULIYLQRPFATYMW-FUHWJXTLSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419424737 1194025283 /nfs/dbraw/zinc/02/52/83/1194025283.db2.gz ULIYLQRPFATYMW-FUHWJXTLSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419425422 1194026054 /nfs/dbraw/zinc/02/60/54/1194026054.db2.gz VQEYACBAJLTJIX-KRWDZBQOSA-N 2 1 375.517 0.164 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427877 1194027259 /nfs/dbraw/zinc/02/72/59/1194027259.db2.gz ZZGRZWMJABYYMU-GOSISDBHSA-N 2 1 375.517 0.207 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419427877 1194027262 /nfs/dbraw/zinc/02/72/62/1194027262.db2.gz ZZGRZWMJABYYMU-GOSISDBHSA-N 2 1 375.517 0.207 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419427877 1194027267 /nfs/dbraw/zinc/02/72/67/1194027267.db2.gz ZZGRZWMJABYYMU-GOSISDBHSA-N 2 1 375.517 0.207 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](CC)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410791 1194028947 /nfs/dbraw/zinc/02/89/47/1194028947.db2.gz GSVHLLYSGFQXTJ-QZTJIDSGSA-N 2 1 376.501 0.508 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](CC)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410791 1194028951 /nfs/dbraw/zinc/02/89/51/1194028951.db2.gz GSVHLLYSGFQXTJ-QZTJIDSGSA-N 2 1 376.501 0.508 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411319 1194029426 /nfs/dbraw/zinc/02/94/26/1194029426.db2.gz HNBOLXWPYBMXNA-ZWKOTPCHSA-N 2 1 376.501 0.637 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411319 1194029430 /nfs/dbraw/zinc/02/94/30/1194029430.db2.gz HNBOLXWPYBMXNA-ZWKOTPCHSA-N 2 1 376.501 0.637 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413042 1194030481 /nfs/dbraw/zinc/03/04/81/1194030481.db2.gz KCLCXDIRUQXLGY-NEWSRXKRSA-N 2 1 390.528 0.754 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413042 1194030486 /nfs/dbraw/zinc/03/04/86/1194030486.db2.gz KCLCXDIRUQXLGY-NEWSRXKRSA-N 2 1 390.528 0.754 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415880 1194031600 /nfs/dbraw/zinc/03/16/00/1194031600.db2.gz NZOSDEIUDNQLMS-OTWHNJEPSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415880 1194031603 /nfs/dbraw/zinc/03/16/03/1194031603.db2.gz NZOSDEIUDNQLMS-OTWHNJEPSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416250 1194032200 /nfs/dbraw/zinc/03/22/00/1194032200.db2.gz OMIRGMJWLCGNCJ-FHWLQOOXSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416250 1194032203 /nfs/dbraw/zinc/03/22/03/1194032203.db2.gz OMIRGMJWLCGNCJ-FHWLQOOXSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419417746 1194032213 /nfs/dbraw/zinc/03/22/13/1194032213.db2.gz QCQSHVYKUXNVRE-FHWLQOOXSA-N 2 1 388.512 0.589 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419417746 1194032216 /nfs/dbraw/zinc/03/22/16/1194032216.db2.gz QCQSHVYKUXNVRE-FHWLQOOXSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419455391 1194032863 /nfs/dbraw/zinc/03/28/63/1194032863.db2.gz WTBJQAYUSOHWDS-HKUYNNGSSA-N 2 1 387.528 0.653 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419455599 1194033134 /nfs/dbraw/zinc/03/31/34/1194033134.db2.gz XJOZGAQGCOPPOU-MSOLQXFVSA-N 2 1 387.528 0.381 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455968 1194033793 /nfs/dbraw/zinc/03/37/93/1194033793.db2.gz YMCIHCWLRGQMND-IAGOWNOFSA-N 2 1 375.517 0.285 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419455969 1194034073 /nfs/dbraw/zinc/03/40/73/1194034073.db2.gz YMCIHCWLRGQMND-IRXDYDNUSA-N 2 1 375.517 0.285 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419454890 1194038108 /nfs/dbraw/zinc/03/81/08/1194038108.db2.gz UZCUPBJKOKPQBM-KZNAEPCWSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419475676 1194039375 /nfs/dbraw/zinc/03/93/75/1194039375.db2.gz OJPYAKDHWMTWHP-NZSAHSFTSA-N 2 1 388.512 0.589 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000419484673 1194041257 /nfs/dbraw/zinc/04/12/57/1194041257.db2.gz UDBWGSNNLRJFBL-KRWDZBQOSA-N 2 1 381.565 0.415 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501736 1194045854 /nfs/dbraw/zinc/04/58/54/1194045854.db2.gz FBPMGJAOWCNKPV-QZTJIDSGSA-N 2 1 387.528 0.572 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419502455 1194046005 /nfs/dbraw/zinc/04/60/05/1194046005.db2.gz FPRNUDPUMIHDLZ-WMZOPIPTSA-N 2 1 375.517 0.413 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419502444 1194046247 /nfs/dbraw/zinc/04/62/47/1194046247.db2.gz FPRNUDPUMIHDLZ-AEFFLSMTSA-N 2 1 375.517 0.413 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503421 1194047108 /nfs/dbraw/zinc/04/71/08/1194047108.db2.gz HMBCQSIJSWKZHD-MSOLQXFVSA-N 2 1 387.528 0.381 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507174 1194047316 /nfs/dbraw/zinc/04/73/16/1194047316.db2.gz OCUIHRBXHGWOPX-RYQLBKOJSA-N 2 1 388.512 0.854 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505649 1194047496 /nfs/dbraw/zinc/04/74/96/1194047496.db2.gz MEEIEYMJUWUDAP-IRXDYDNUSA-N 2 1 375.517 0.285 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505175 1194047638 /nfs/dbraw/zinc/04/76/38/1194047638.db2.gz LEZSDIQBBPTGAG-ROUUACIJSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419509913 1194048395 /nfs/dbraw/zinc/04/83/95/1194048395.db2.gz SPDVXRNIDYZMIZ-ZIFCJYIRSA-N 2 1 387.528 0.509 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000419531754 1194050188 /nfs/dbraw/zinc/05/01/88/1194050188.db2.gz GGNGZODNCCBULN-GOSISDBHSA-N 2 1 376.501 0.762 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512241 1194051238 /nfs/dbraw/zinc/05/12/38/1194051238.db2.gz WUZNWTIROOMCCQ-ZWKOTPCHSA-N 2 1 389.544 0.803 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)[NH+]2CCCC2)o1 ZINC000419516751 1194051912 /nfs/dbraw/zinc/05/19/12/1194051912.db2.gz UWJDNORSGGLPNL-CVEARBPZSA-N 2 1 378.473 0.336 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419518912 1194052329 /nfs/dbraw/zinc/05/23/29/1194052329.db2.gz ZLVYHENDMIOCSR-HOTGVXAUSA-N 2 1 378.473 0.417 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1CCOC ZINC000501079366 1194053456 /nfs/dbraw/zinc/05/34/56/1194053456.db2.gz ZSEXQUBWBRKVTG-QZTJIDSGSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079366 1194053460 /nfs/dbraw/zinc/05/34/60/1194053460.db2.gz ZSEXQUBWBRKVTG-QZTJIDSGSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079366 1194053463 /nfs/dbraw/zinc/05/34/63/1194053463.db2.gz ZSEXQUBWBRKVTG-QZTJIDSGSA-N 2 1 397.564 0.716 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000419557792 1194054486 /nfs/dbraw/zinc/05/44/86/1194054486.db2.gz LQXBSCUMBPOMMT-GDBMZVCRSA-N 2 1 382.530 0.599 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419537401 1194055383 /nfs/dbraw/zinc/05/53/83/1194055383.db2.gz NLBRSFXIBRAUEM-FUHWJXTLSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000419539406 1194055715 /nfs/dbraw/zinc/05/57/15/1194055715.db2.gz POUQUNLSEOHBTN-SFHVURJKSA-N 2 1 376.501 0.634 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419537403 1194055952 /nfs/dbraw/zinc/05/59/52/1194055952.db2.gz NLBRSFXIBRAUEM-WMZOPIPTSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000419547827 1194056704 /nfs/dbraw/zinc/05/67/04/1194056704.db2.gz RYFDVQJTFYHCAB-SZMVWBNQSA-N 2 1 376.501 0.618 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000419547825 1194057111 /nfs/dbraw/zinc/05/71/11/1194057111.db2.gz RYFDVQJTFYHCAB-NJAFHUGGSA-N 2 1 376.501 0.618 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000419549403 1194057737 /nfs/dbraw/zinc/05/77/37/1194057737.db2.gz VQBVIVAPXWXBTB-CEXWTWQISA-N 2 1 388.512 0.490 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549197 1194058164 /nfs/dbraw/zinc/05/81/64/1194058164.db2.gz VEPOFKDKDLJXPM-ROUUACIJSA-N 2 1 376.501 0.680 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000419581548 1194060637 /nfs/dbraw/zinc/06/06/37/1194060637.db2.gz IKBLTCQIMPHODJ-MDASCCDHSA-N 2 1 388.512 0.856 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419663782 1194077501 /nfs/dbraw/zinc/07/75/01/1194077501.db2.gz QPWLLHDCHPOJOX-PKOBYXMFSA-N 2 1 387.528 0.177 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419666311 1194078642 /nfs/dbraw/zinc/07/86/42/1194078642.db2.gz VZMZPFUTMXPHNG-NEWSRXKRSA-N 2 1 388.512 0.650 20 0 GCADMP COc1cc(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)ccc1OCC[NH+](C)C ZINC000419686359 1194084823 /nfs/dbraw/zinc/08/48/23/1194084823.db2.gz XKLIQBVPHMIMHV-HNNXBMFYSA-N 2 1 390.484 0.927 20 0 GCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419689663 1194085636 /nfs/dbraw/zinc/08/56/36/1194085636.db2.gz JKIIOXZQWBDMAD-IBGZPJMESA-N 2 1 387.528 0.260 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737924 1194099882 /nfs/dbraw/zinc/09/98/82/1194099882.db2.gz YJUGPAOBEJFLDA-MSOLQXFVSA-N 2 1 376.501 0.763 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419764207 1194101546 /nfs/dbraw/zinc/10/15/46/1194101546.db2.gz VURHRHAISDDDRJ-CJNGLKHVSA-N 2 1 380.464 0.603 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419768633 1194102329 /nfs/dbraw/zinc/10/23/29/1194102329.db2.gz CTUMLGVTUUTLHO-JKSUJKDBSA-N 2 1 391.520 0.137 20 0 GCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419801658 1194106334 /nfs/dbraw/zinc/10/63/34/1194106334.db2.gz BJEINSNFRLCFJO-JKSUJKDBSA-N 2 1 378.473 0.418 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1[NH3+] ZINC000419821616 1194109620 /nfs/dbraw/zinc/10/96/20/1194109620.db2.gz NOGCLEXEJGBRFX-MKSNKDDYSA-N 2 1 388.512 0.718 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000419820903 1194109759 /nfs/dbraw/zinc/10/97/59/1194109759.db2.gz MUDIFNIGORZZTD-GASCZTMLSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])C[C@H](C)O1 ZINC000419820903 1194109764 /nfs/dbraw/zinc/10/97/64/1194109764.db2.gz MUDIFNIGORZZTD-GASCZTMLSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH3+] ZINC000419821617 1194109839 /nfs/dbraw/zinc/10/98/39/1194109839.db2.gz NOGCLEXEJGBRFX-WFXMFSGNSA-N 2 1 388.512 0.718 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])C[C@@H](C)O1 ZINC000419820906 1194109882 /nfs/dbraw/zinc/10/98/82/1194109882.db2.gz MUDIFNIGORZZTD-HUUCEWRRSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810297 1194111996 /nfs/dbraw/zinc/11/19/96/1194111996.db2.gz GXCLNTGVURGRCA-OAGGEKHMSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810297 1194111997 /nfs/dbraw/zinc/11/19/97/1194111997.db2.gz GXCLNTGVURGRCA-OAGGEKHMSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419810305 1194112138 /nfs/dbraw/zinc/11/21/38/1194112138.db2.gz GXCLNTGVURGRCA-PMPSAXMXSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000419809967 1194112171 /nfs/dbraw/zinc/11/21/71/1194112171.db2.gz GSVPUFLQTIVVFV-GPMSIDNRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000419812029 1194112449 /nfs/dbraw/zinc/11/24/49/1194112449.db2.gz HTYFIXYQLDANGR-YESZJQIVSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000419812029 1194112450 /nfs/dbraw/zinc/11/24/50/1194112450.db2.gz HTYFIXYQLDANGR-YESZJQIVSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419815213 1194112972 /nfs/dbraw/zinc/11/29/72/1194112972.db2.gz JKJDTIUKQIEKGJ-MDZRGWNJSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419850363 1194115526 /nfs/dbraw/zinc/11/55/26/1194115526.db2.gz FXLBGBJTNNPMGJ-MJGOQNOKSA-N 2 1 387.528 0.177 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419834927 1194117116 /nfs/dbraw/zinc/11/71/16/1194117116.db2.gz XVIJFQHLAKJKBX-JTDSTZFVSA-N 2 1 388.512 0.732 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000419834927 1194117117 /nfs/dbraw/zinc/11/71/17/1194117117.db2.gz XVIJFQHLAKJKBX-JTDSTZFVSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419834529 1194117165 /nfs/dbraw/zinc/11/71/65/1194117165.db2.gz XFFAXLJZYGTXOH-TXPKVOOTSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000419834527 1194117273 /nfs/dbraw/zinc/11/72/73/1194117273.db2.gz XFFAXLJZYGTXOH-MDZRGWNJSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000419838247 1194117786 /nfs/dbraw/zinc/11/77/86/1194117786.db2.gz XNUIYCKWJPUKQN-SFHVURJKSA-N 2 1 389.544 0.364 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NCCCC[NH3+])CC1)Cc1ccccc1 ZINC000419837346 1194118319 /nfs/dbraw/zinc/11/83/19/1194118319.db2.gz ZQLBHJGTLZBYSD-UHFFFAOYSA-N 2 1 375.517 0.118 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419845100 1194119787 /nfs/dbraw/zinc/11/97/87/1194119787.db2.gz PJKZIGRBIFAYFP-QRQLOZEOSA-N 2 1 393.576 0.650 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419856554 1194122538 /nfs/dbraw/zinc/12/25/38/1194122538.db2.gz JBZKNKHIAKEUOA-SOLBZPMBSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861059 1194124250 /nfs/dbraw/zinc/12/42/50/1194124250.db2.gz DBTYTRMXGWTEAS-ZWKOTPCHSA-N 2 1 387.528 0.129 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861059 1194124253 /nfs/dbraw/zinc/12/42/53/1194124253.db2.gz DBTYTRMXGWTEAS-ZWKOTPCHSA-N 2 1 387.528 0.129 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419867905 1194126664 /nfs/dbraw/zinc/12/66/64/1194126664.db2.gz LEJSSCFTVCIHDP-UHFFFAOYSA-N 2 1 389.544 0.555 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419868523 1194127428 /nfs/dbraw/zinc/12/74/28/1194127428.db2.gz LVFQUARCLWSBDW-UHFFFAOYSA-N 2 1 387.528 0.131 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419868523 1194127430 /nfs/dbraw/zinc/12/74/30/1194127430.db2.gz LVFQUARCLWSBDW-UHFFFAOYSA-N 2 1 387.528 0.131 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419871257 1194127783 /nfs/dbraw/zinc/12/77/83/1194127783.db2.gz PKNDPKSEXMTNHF-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419871257 1194127786 /nfs/dbraw/zinc/12/77/86/1194127786.db2.gz PKNDPKSEXMTNHF-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1)CC(C)C ZINC000419880050 1194131248 /nfs/dbraw/zinc/13/12/48/1194131248.db2.gz ZSPHQFGUOXDIPU-UHFFFAOYSA-N 2 1 395.592 0.614 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000419903026 1194137495 /nfs/dbraw/zinc/13/74/95/1194137495.db2.gz URCRJIBRPFQDAS-OALUTQOASA-N 2 1 388.512 0.811 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419913638 1194137997 /nfs/dbraw/zinc/13/79/97/1194137997.db2.gz PJKZIGRBIFAYFP-YTQUADARSA-N 3 1 393.576 0.650 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419916963 1194138659 /nfs/dbraw/zinc/13/86/59/1194138659.db2.gz FNJPSAMGQLDXIW-KRWDZBQOSA-N 2 1 376.501 0.619 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000419909904 1194141990 /nfs/dbraw/zinc/14/19/90/1194141990.db2.gz ZOEVMGCUICNFRC-DZVNLGKHSA-N 2 1 380.533 0.591 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000419951724 1194143641 /nfs/dbraw/zinc/14/36/41/1194143641.db2.gz NQEFPTVFHQXEDJ-INIZCTEOSA-N 2 1 376.501 0.701 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000419951724 1194143645 /nfs/dbraw/zinc/14/36/45/1194143645.db2.gz NQEFPTVFHQXEDJ-INIZCTEOSA-N 2 1 376.501 0.701 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419960300 1194148024 /nfs/dbraw/zinc/14/80/24/1194148024.db2.gz WGAFXBDYQDYCJI-AEFFLSMTSA-N 2 1 375.517 0.866 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CCOC ZINC000419962919 1194148360 /nfs/dbraw/zinc/14/83/60/1194148360.db2.gz HJMZOMGTWLSSPL-QZTJIDSGSA-N 2 1 382.549 0.970 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1CCOC ZINC000419962919 1194148364 /nfs/dbraw/zinc/14/83/64/1194148364.db2.gz HJMZOMGTWLSSPL-QZTJIDSGSA-N 2 1 382.549 0.970 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419964233 1194148724 /nfs/dbraw/zinc/14/87/24/1194148724.db2.gz WZODVKCWBZBCON-KBAYOESNSA-N 2 1 381.565 0.493 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419973242 1194150085 /nfs/dbraw/zinc/15/00/85/1194150085.db2.gz HKFCZDHZCGBDHC-YTQUADARSA-N 3 1 395.592 0.754 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000419978618 1194151438 /nfs/dbraw/zinc/15/14/38/1194151438.db2.gz OLFGUTIDISBOLK-FGTMMUONSA-N 2 1 381.565 0.493 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419988234 1194152842 /nfs/dbraw/zinc/15/28/42/1194152842.db2.gz ZJBURFGSCODKDM-ULQDDVLXSA-N 2 1 398.548 0.075 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419996062 1194154586 /nfs/dbraw/zinc/15/45/86/1194154586.db2.gz MYAGYUYLVRQAEV-BPQIPLTHSA-N 2 1 381.565 0.636 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000420000279 1194155475 /nfs/dbraw/zinc/15/54/75/1194155475.db2.gz SXJZYJBZRHNPOZ-WAOWUJCRSA-N 2 1 388.512 0.325 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420009009 1194157228 /nfs/dbraw/zinc/15/72/28/1194157228.db2.gz CFVXSMONGDNNEM-FLXSYLCISA-N 2 1 380.533 0.720 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000420009009 1194157230 /nfs/dbraw/zinc/15/72/30/1194157230.db2.gz CFVXSMONGDNNEM-FLXSYLCISA-N 2 1 380.533 0.720 20 0 GCADMP CN(C(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420024087 1194158138 /nfs/dbraw/zinc/15/81/38/1194158138.db2.gz AEIGIJWNTMSHTI-GUDVDZBRSA-N 2 1 393.576 0.636 20 0 GCADMP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420024089 1194158289 /nfs/dbraw/zinc/15/82/89/1194158289.db2.gz AEIGIJWNTMSHTI-OTWHNJEPSA-N 2 1 393.576 0.636 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420044040 1194167673 /nfs/dbraw/zinc/16/76/73/1194167673.db2.gz OZLPTOVYWODBGB-OGWHTMIXSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420055166 1194170990 /nfs/dbraw/zinc/17/09/90/1194170990.db2.gz HQMDVRGUYFNVLU-FUHWJXTLSA-N 2 1 388.512 0.950 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000420055382 1194171028 /nfs/dbraw/zinc/17/10/28/1194171028.db2.gz GNHYXYKCPDKFCK-RVKKMQEKSA-N 2 1 380.533 0.578 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H](C)O1 ZINC000420097414 1194176656 /nfs/dbraw/zinc/17/66/56/1194176656.db2.gz CDSZJYAPVDUGTG-ZACQAIPSSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420097403 1194176764 /nfs/dbraw/zinc/17/67/64/1194176764.db2.gz CDSZJYAPVDUGTG-BBWFWOEESA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2(C)CC[NH2+]CC2)C[C@H](C)O1 ZINC000420097403 1194176766 /nfs/dbraw/zinc/17/67/66/1194176766.db2.gz CDSZJYAPVDUGTG-BBWFWOEESA-N 2 1 380.533 0.593 20 0 GCADMP CC1(CNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CC[NH2+]CC1 ZINC000420098505 1194176788 /nfs/dbraw/zinc/17/67/88/1194176788.db2.gz DGELWEKBOINLHK-UHFFFAOYSA-N 2 1 378.542 0.941 20 0 GCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@@H](C)O1 ZINC000420100354 1194177366 /nfs/dbraw/zinc/17/73/66/1194177366.db2.gz ZJHPRWNGDUXZKR-HZPDHXFCSA-N 2 1 396.532 0.101 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420111494 1194181401 /nfs/dbraw/zinc/18/14/01/1194181401.db2.gz CSZDCFCTOYINLA-AEFFLSMTSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000420090671 1194182607 /nfs/dbraw/zinc/18/26/07/1194182607.db2.gz DXVZNXQJSIVOKX-LVCYWYKZSA-N 2 1 393.576 0.509 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000420134544 1194184232 /nfs/dbraw/zinc/18/42/32/1194184232.db2.gz FLAZUCWBACPZKX-UHFFFAOYSA-N 2 1 380.533 0.619 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420115510 1194185245 /nfs/dbraw/zinc/18/52/45/1194185245.db2.gz FMYTYCMYTJGLEL-KSZLIROESA-N 2 1 381.565 0.637 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000420138243 1194185340 /nfs/dbraw/zinc/18/53/40/1194185340.db2.gz XJKAJMOEXAANPT-UONOGXRCSA-N 2 1 394.438 0.356 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000420125358 1194188774 /nfs/dbraw/zinc/18/87/74/1194188774.db2.gz PNTUGHFDUGHESA-GOSISDBHSA-N 2 1 389.544 0.901 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000420132188 1194189839 /nfs/dbraw/zinc/18/98/39/1194189839.db2.gz AMQGSFKFTFAYPD-IBGZPJMESA-N 2 1 385.512 0.930 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1CC ZINC000420161200 1194191085 /nfs/dbraw/zinc/19/10/85/1194191085.db2.gz JKBDWPKOXGXPNZ-IAGOWNOFSA-N 2 1 382.549 0.840 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H]1CC ZINC000420161200 1194191088 /nfs/dbraw/zinc/19/10/88/1194191088.db2.gz JKBDWPKOXGXPNZ-IAGOWNOFSA-N 2 1 382.549 0.840 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000420163320 1194191766 /nfs/dbraw/zinc/19/17/66/1194191766.db2.gz ZZQPUCMXZSPQCD-IKGGRYGDSA-N 2 1 398.548 0.217 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420163321 1194191837 /nfs/dbraw/zinc/19/18/37/1194191837.db2.gz ZZQPUCMXZSPQCD-ZACQAIPSSA-N 2 1 398.548 0.217 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420163321 1194191839 /nfs/dbraw/zinc/19/18/39/1194191839.db2.gz ZZQPUCMXZSPQCD-ZACQAIPSSA-N 2 1 398.548 0.217 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000420150334 1194193849 /nfs/dbraw/zinc/19/38/49/1194193849.db2.gz KKQVDSPSMNIQFE-UHFFFAOYSA-N 2 1 382.455 0.864 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000420150334 1194193850 /nfs/dbraw/zinc/19/38/50/1194193850.db2.gz KKQVDSPSMNIQFE-UHFFFAOYSA-N 2 1 382.455 0.864 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000420176652 1194194972 /nfs/dbraw/zinc/19/49/72/1194194972.db2.gz XFBVWYDLCXOYEV-MRXNPFEDSA-N 2 1 376.501 0.844 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000420176652 1194194974 /nfs/dbraw/zinc/19/49/74/1194194974.db2.gz XFBVWYDLCXOYEV-MRXNPFEDSA-N 2 1 376.501 0.844 20 0 GCADMP CCN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420178888 1194196124 /nfs/dbraw/zinc/19/61/24/1194196124.db2.gz BFRHEMUAPOTNBC-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420182059 1194197292 /nfs/dbraw/zinc/19/72/92/1194197292.db2.gz YRMXXHZKCZZZBY-UHFFFAOYSA-N 2 1 378.370 0.565 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420184724 1194198332 /nfs/dbraw/zinc/19/83/32/1194198332.db2.gz BBBGCWNWLDVBII-QZTJIDSGSA-N 2 1 387.528 0.511 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420186099 1194199083 /nfs/dbraw/zinc/19/90/83/1194199083.db2.gz PSYKULHVABOENH-IEBWSBKVSA-N 2 1 390.528 0.850 20 0 GCADMP Cn1cc(N2CCC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)cn1 ZINC000261814882 1194199193 /nfs/dbraw/zinc/19/91/93/1194199193.db2.gz JVONRHFWXKRKAD-NXHRZFHOSA-N 2 1 388.516 0.496 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171513 1194200006 /nfs/dbraw/zinc/20/00/06/1194200006.db2.gz UBUNXGBJBRMKAN-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420171513 1194200010 /nfs/dbraw/zinc/20/00/10/1194200010.db2.gz UBUNXGBJBRMKAN-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420169351 1194200032 /nfs/dbraw/zinc/20/00/32/1194200032.db2.gz VMKYEMFBZKOXGC-SOLBZPMBSA-N 2 1 378.517 0.513 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420169351 1194200036 /nfs/dbraw/zinc/20/00/36/1194200036.db2.gz VMKYEMFBZKOXGC-SOLBZPMBSA-N 2 1 378.517 0.513 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000420170239 1194200054 /nfs/dbraw/zinc/20/00/54/1194200054.db2.gz XDZDDQBSPFZPMG-HDICACEKSA-N 2 1 391.560 0.429 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420174198 1194201668 /nfs/dbraw/zinc/20/16/68/1194201668.db2.gz YGOCNDHHQJWHSF-DOTOQJQBSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000420192648 1194207568 /nfs/dbraw/zinc/20/75/68/1194207568.db2.gz QXDVKDCSJYECMB-PKOBYXMFSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420222145 1194209533 /nfs/dbraw/zinc/20/95/33/1194209533.db2.gz RLZHMUQSBXTFEE-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420222145 1194209538 /nfs/dbraw/zinc/20/95/38/1194209538.db2.gz RLZHMUQSBXTFEE-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)C[C@H](C)O1 ZINC000420210711 1194213009 /nfs/dbraw/zinc/21/30/09/1194213009.db2.gz SLQKXRZHFPNIBV-OGWHTMIXSA-N 2 1 394.560 0.968 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420215463 1194214014 /nfs/dbraw/zinc/21/40/14/1194214014.db2.gz WHFIENRCJDXAIF-ZWKOTPCHSA-N 2 1 388.512 0.973 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420215463 1194214018 /nfs/dbraw/zinc/21/40/18/1194214018.db2.gz WHFIENRCJDXAIF-ZWKOTPCHSA-N 2 1 388.512 0.973 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501621626 1194215613 /nfs/dbraw/zinc/21/56/13/1194215613.db2.gz GXMISLJLJDYDRW-QGZVFWFLSA-N 2 1 380.533 0.282 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501621626 1194215617 /nfs/dbraw/zinc/21/56/17/1194215617.db2.gz GXMISLJLJDYDRW-QGZVFWFLSA-N 2 1 380.533 0.282 20 0 GCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501634594 1194216305 /nfs/dbraw/zinc/21/63/05/1194216305.db2.gz DSWAYWATHWUPKW-OALUTQOASA-N 2 1 392.544 0.548 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501634594 1194216309 /nfs/dbraw/zinc/21/63/09/1194216309.db2.gz DSWAYWATHWUPKW-OALUTQOASA-N 2 1 392.544 0.548 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000501647451 1194216314 /nfs/dbraw/zinc/21/63/14/1194216314.db2.gz WVQVPAXYYZEDBQ-BFYDXBDKSA-N 2 1 378.517 0.345 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501635165 1194216557 /nfs/dbraw/zinc/21/65/57/1194216557.db2.gz FTUNWJAIZOCCSJ-SJORKVTESA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501651816 1194218646 /nfs/dbraw/zinc/21/86/46/1194218646.db2.gz YLEVNJDUKWASIQ-AEFFLSMTSA-N 2 1 394.560 0.840 20 0 GCADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347470 1194222342 /nfs/dbraw/zinc/22/23/42/1194222342.db2.gz GUVIBJZWOQVQQH-FUHWJXTLSA-N 2 1 390.528 0.731 20 0 GCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000420359592 1194224073 /nfs/dbraw/zinc/22/40/73/1194224073.db2.gz GDZIMOKWBWRDQG-GLJUWKHASA-N 2 1 382.530 0.359 20 0 GCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369075 1194224507 /nfs/dbraw/zinc/22/45/07/1194224507.db2.gz BJQRWDDBCGBWEQ-HOTGVXAUSA-N 2 1 378.477 0.318 20 0 GCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369075 1194224509 /nfs/dbraw/zinc/22/45/09/1194224509.db2.gz BJQRWDDBCGBWEQ-HOTGVXAUSA-N 2 1 378.477 0.318 20 0 GCADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420361285 1194224718 /nfs/dbraw/zinc/22/47/18/1194224718.db2.gz MAQKFYYSGKELMF-QGZVFWFLSA-N 2 1 394.541 0.497 20 0 GCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369073 1194224743 /nfs/dbraw/zinc/22/47/43/1194224743.db2.gz BJQRWDDBCGBWEQ-CVEARBPZSA-N 2 1 378.477 0.318 20 0 GCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369073 1194224747 /nfs/dbraw/zinc/22/47/47/1194224747.db2.gz BJQRWDDBCGBWEQ-CVEARBPZSA-N 2 1 378.477 0.318 20 0 GCADMP C[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420374237 1194227429 /nfs/dbraw/zinc/22/74/29/1194227429.db2.gz HFPNVMAGSXGISM-DLBZAZTESA-N 2 1 394.541 0.436 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420374237 1194227430 /nfs/dbraw/zinc/22/74/30/1194227430.db2.gz HFPNVMAGSXGISM-DLBZAZTESA-N 2 1 394.541 0.436 20 0 GCADMP CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000982961127 1194227664 /nfs/dbraw/zinc/22/76/64/1194227664.db2.gz NRPVVSUJDYXBBQ-BRSBDYLESA-N 2 1 392.544 0.402 20 0 GCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123217 1194230184 /nfs/dbraw/zinc/23/01/84/1194230184.db2.gz IOCPRQUURVCGQK-BBWFWOEESA-N 2 1 383.537 0.324 20 0 GCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123217 1194230186 /nfs/dbraw/zinc/23/01/86/1194230186.db2.gz IOCPRQUURVCGQK-BBWFWOEESA-N 2 1 383.537 0.324 20 0 GCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123217 1194230188 /nfs/dbraw/zinc/23/01/88/1194230188.db2.gz IOCPRQUURVCGQK-BBWFWOEESA-N 2 1 383.537 0.324 20 0 GCADMP C[C@@H]1C[NH+](CCN(C)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@H](C)O1 ZINC000434123217 1194230190 /nfs/dbraw/zinc/23/01/90/1194230190.db2.gz IOCPRQUURVCGQK-BBWFWOEESA-N 2 1 383.537 0.324 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000647905593 1194237818 /nfs/dbraw/zinc/23/78/18/1194237818.db2.gz YOMSMNKBRUWNGE-HUUCEWRRSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000647905593 1194237822 /nfs/dbraw/zinc/23/78/22/1194237822.db2.gz YOMSMNKBRUWNGE-HUUCEWRRSA-N 2 1 398.504 0.328 20 0 GCADMP COCc1noc(CN2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000501895553 1194245728 /nfs/dbraw/zinc/24/57/28/1194245728.db2.gz AAEMJBLBIUHCHD-UHFFFAOYSA-N 2 1 380.537 0.750 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000647907896 1194282437 /nfs/dbraw/zinc/28/24/37/1194282437.db2.gz LGUNWFOYQSJTFH-NUEKZKHPSA-N 2 1 378.498 0.282 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000647907896 1194282440 /nfs/dbraw/zinc/28/24/40/1194282440.db2.gz LGUNWFOYQSJTFH-NUEKZKHPSA-N 2 1 378.498 0.282 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000421127487 1194297906 /nfs/dbraw/zinc/29/79/06/1194297906.db2.gz KSHASNZHLGYNSO-JUVOFCAFSA-N 2 1 382.549 0.979 20 0 GCADMP O=C(NC[C@H]1CCCN(C(=O)NCC[NH+]2CCSCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000577164202 1194362615 /nfs/dbraw/zinc/36/26/15/1194362615.db2.gz ULOMJHXJYVDZKL-CVEARBPZSA-N 2 1 383.562 0.325 20 0 GCADMP O=C(NC[C@@H]1CCCN(C(=O)NCC[NH+]2CCSCC2)C1)[C@H]1CCC[NH2+]1 ZINC000577164205 1194363286 /nfs/dbraw/zinc/36/32/86/1194363286.db2.gz ULOMJHXJYVDZKL-JKSUJKDBSA-N 2 1 383.562 0.325 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000422111725 1194392505 /nfs/dbraw/zinc/39/25/05/1194392505.db2.gz DKNAXDIXBZBHBW-ZHALLVOQSA-N 2 1 394.560 0.887 20 0 GCADMP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000272513401 1194468211 /nfs/dbraw/zinc/46/82/11/1194468211.db2.gz PBLQSSPYNFTCEV-UHFFFAOYSA-N 2 1 392.500 0.480 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)NCCOc1ccc2c(c1)OCO2 ZINC000272513401 1194468214 /nfs/dbraw/zinc/46/82/14/1194468214.db2.gz PBLQSSPYNFTCEV-UHFFFAOYSA-N 2 1 392.500 0.480 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272721523 1194491299 /nfs/dbraw/zinc/49/12/99/1194491299.db2.gz XPHRCIIQGARSSB-UHFFFAOYSA-N 2 1 377.489 0.258 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000272764465 1194498763 /nfs/dbraw/zinc/49/87/63/1194498763.db2.gz LGDTYPFJOYJHBV-MOPGFXCFSA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000272764465 1194498767 /nfs/dbraw/zinc/49/87/67/1194498767.db2.gz LGDTYPFJOYJHBV-MOPGFXCFSA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000272764465 1194498771 /nfs/dbraw/zinc/49/87/71/1194498771.db2.gz LGDTYPFJOYJHBV-MOPGFXCFSA-N 2 1 376.501 0.773 20 0 GCADMP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000272838853 1194508881 /nfs/dbraw/zinc/50/88/81/1194508881.db2.gz JGCHOZNWDKUOBO-OAHLLOKOSA-N 2 1 390.484 0.944 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000273058409 1194534972 /nfs/dbraw/zinc/53/49/72/1194534972.db2.gz WZQREWXSSRINMM-LJQANCHMSA-N 2 1 378.517 0.973 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000422283785 1194602541 /nfs/dbraw/zinc/60/25/41/1194602541.db2.gz HCDPBLMAPSWEIE-KRWDZBQOSA-N 2 1 376.501 0.414 20 0 GCADMP COCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000422283785 1194602544 /nfs/dbraw/zinc/60/25/44/1194602544.db2.gz HCDPBLMAPSWEIE-KRWDZBQOSA-N 2 1 376.501 0.414 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422299934 1194608755 /nfs/dbraw/zinc/60/87/55/1194608755.db2.gz SVIDNBCJWPRTMC-SFHVURJKSA-N 2 1 395.592 0.852 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000422393652 1194634398 /nfs/dbraw/zinc/63/43/98/1194634398.db2.gz FLRRHXLYSVPVRO-MRXNPFEDSA-N 2 1 377.489 0.191 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H]3CCC[N@@H+](C)[C@@H]3C)CC2)CC1 ZINC000422425959 1194637917 /nfs/dbraw/zinc/63/79/17/1194637917.db2.gz NKCZZWCTHAUPFT-MJGOQNOKSA-N 2 1 393.576 0.604 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)nc(C)[nH+]1 ZINC000422408048 1194639397 /nfs/dbraw/zinc/63/93/97/1194639397.db2.gz ZZYVYTCZNFRUNZ-KRWDZBQOSA-N 2 1 388.516 0.731 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2)nc(C)[nH+]1 ZINC000422408048 1194639399 /nfs/dbraw/zinc/63/93/99/1194639399.db2.gz ZZYVYTCZNFRUNZ-KRWDZBQOSA-N 2 1 388.516 0.731 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422459468 1194649880 /nfs/dbraw/zinc/64/98/80/1194649880.db2.gz YTKUPIPSHKJXKY-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422459468 1194649883 /nfs/dbraw/zinc/64/98/83/1194649883.db2.gz YTKUPIPSHKJXKY-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422459468 1194649885 /nfs/dbraw/zinc/64/98/85/1194649885.db2.gz YTKUPIPSHKJXKY-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422544479 1194665331 /nfs/dbraw/zinc/66/53/31/1194665331.db2.gz QLBZNBJFCHWAOS-SOLBZPMBSA-N 2 1 380.533 0.545 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422544479 1194665333 /nfs/dbraw/zinc/66/53/33/1194665333.db2.gz QLBZNBJFCHWAOS-SOLBZPMBSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000422642513 1194681131 /nfs/dbraw/zinc/68/11/31/1194681131.db2.gz ZMIUTWBFIVGNEY-BFYDXBDKSA-N 2 1 396.557 0.688 20 0 GCADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1)Cc1ccccc1 ZINC000414704578 1194708985 /nfs/dbraw/zinc/70/89/85/1194708985.db2.gz WERDKJHCTNQQHR-OAQYLSRUSA-N 3 1 387.572 0.933 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000422975339 1194714839 /nfs/dbraw/zinc/71/48/39/1194714839.db2.gz SOCYCDZOYQBFRP-NEWSRXKRSA-N 2 1 388.512 0.810 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)cc1 ZINC000423044078 1194721728 /nfs/dbraw/zinc/72/17/28/1194721728.db2.gz ARFIKWGGQRGOKW-NRFANRHFSA-N 2 1 388.512 0.927 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)cc1 ZINC000423044078 1194721731 /nfs/dbraw/zinc/72/17/31/1194721731.db2.gz ARFIKWGGQRGOKW-NRFANRHFSA-N 2 1 388.512 0.927 20 0 GCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423102870 1194727822 /nfs/dbraw/zinc/72/78/22/1194727822.db2.gz AFPMSCXASREPLT-JKSUJKDBSA-N 2 1 376.526 0.503 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@@H]1C[NH3+] ZINC000423109120 1194730143 /nfs/dbraw/zinc/73/01/43/1194730143.db2.gz GYSXMPILAYDGLT-CVEARBPZSA-N 2 1 378.542 0.878 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000423109122 1194730394 /nfs/dbraw/zinc/73/03/94/1194730394.db2.gz GYSXMPILAYDGLT-HZPDHXFCSA-N 2 1 378.542 0.878 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423163773 1194734616 /nfs/dbraw/zinc/73/46/16/1194734616.db2.gz NICBUUWEXXDIQS-HSALFYBXSA-N 2 1 399.539 0.962 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423167273 1194735038 /nfs/dbraw/zinc/73/50/38/1194735038.db2.gz RWPNIIOGVIZHTJ-CEXWTWQISA-N 2 1 385.512 0.572 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423170110 1194735112 /nfs/dbraw/zinc/73/51/12/1194735112.db2.gz XNCWXESIXZCKQY-SFHVURJKSA-N 2 1 375.517 0.962 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423182509 1194736036 /nfs/dbraw/zinc/73/60/36/1194736036.db2.gz FCXPFZJZUZYSHG-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423182509 1194736039 /nfs/dbraw/zinc/73/60/39/1194736039.db2.gz FCXPFZJZUZYSHG-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423185916 1194737956 /nfs/dbraw/zinc/73/79/56/1194737956.db2.gz KGCBXYUPVQTJQS-MHORFTMASA-N 2 1 382.549 0.918 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423185916 1194737957 /nfs/dbraw/zinc/73/79/57/1194737957.db2.gz KGCBXYUPVQTJQS-MHORFTMASA-N 2 1 382.549 0.918 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423194979 1194738196 /nfs/dbraw/zinc/73/81/96/1194738196.db2.gz ZVQSZMHCDKKAPY-ZIAGYGMSSA-N 2 1 394.438 0.295 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423202622 1194739077 /nfs/dbraw/zinc/73/90/77/1194739077.db2.gz BENLTFVHKCLTCY-MHORFTMASA-N 2 1 379.549 0.199 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423370749 1194751714 /nfs/dbraw/zinc/75/17/14/1194751714.db2.gz HCQNVKRRWGPQTP-PKOBYXMFSA-N 2 1 388.512 0.686 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423396779 1194753259 /nfs/dbraw/zinc/75/32/59/1194753259.db2.gz SNPXCMCIRPCGNK-UYAOXDASSA-N 2 1 399.539 0.477 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423393877 1194753432 /nfs/dbraw/zinc/75/34/32/1194753432.db2.gz RBZJYAXFIIODJK-MSOLQXFVSA-N 2 1 387.528 0.463 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397501 1194753663 /nfs/dbraw/zinc/75/36/63/1194753663.db2.gz SLZGZQPHPVDVFG-DLBZAZTESA-N 2 1 380.533 0.533 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1 ZINC000414740946 1194754049 /nfs/dbraw/zinc/75/40/49/1194754049.db2.gz RLPICJMSVNTUCD-HNNXBMFYSA-N 2 1 388.468 0.370 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000423447435 1194755689 /nfs/dbraw/zinc/75/56/89/1194755689.db2.gz OZYSAPTUVIWZCW-GOSISDBHSA-N 2 1 398.548 0.160 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000423450110 1194756140 /nfs/dbraw/zinc/75/61/40/1194756140.db2.gz SJFNYZOGABQMJI-FUHWJXTLSA-N 2 1 382.549 0.779 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423432895 1194756768 /nfs/dbraw/zinc/75/67/68/1194756768.db2.gz BUADTNKJLAEREJ-FUHWJXTLSA-N 2 1 382.549 0.779 20 0 GCADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)C1 ZINC000423438727 1194757270 /nfs/dbraw/zinc/75/72/70/1194757270.db2.gz HEGRZDGPSXYZDL-OAHLLOKOSA-N 2 1 393.557 0.942 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@@H+]1CC(C)(C)O ZINC000423456175 1194757886 /nfs/dbraw/zinc/75/78/86/1194757886.db2.gz DIHJEMPGXVRLSB-RYQLBKOJSA-N 2 1 388.512 0.243 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC[N@H+]1CC(C)(C)O ZINC000423456175 1194757887 /nfs/dbraw/zinc/75/78/87/1194757887.db2.gz DIHJEMPGXVRLSB-RYQLBKOJSA-N 2 1 388.512 0.243 20 0 GCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000423462353 1194758252 /nfs/dbraw/zinc/75/82/52/1194758252.db2.gz OYUUGDYJMXZQLF-BRWVUGGUSA-N 2 1 396.532 0.053 20 0 GCADMP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530539 1194761620 /nfs/dbraw/zinc/76/16/20/1194761620.db2.gz PPGBOLQLGSYKTK-ZWKOTPCHSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423519182 1194762698 /nfs/dbraw/zinc/76/26/98/1194762698.db2.gz DAIJFGLHPQUDEP-BSDSXHPESA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC[N@H+]1CCOC ZINC000423519182 1194762701 /nfs/dbraw/zinc/76/27/01/1194762701.db2.gz DAIJFGLHPQUDEP-BSDSXHPESA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423524695 1194762995 /nfs/dbraw/zinc/76/29/95/1194762995.db2.gz JWEYHQCCNWGFTM-MOPGFXCFSA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423524695 1194762997 /nfs/dbraw/zinc/76/29/97/1194762997.db2.gz JWEYHQCCNWGFTM-MOPGFXCFSA-N 2 1 394.560 0.794 20 0 GCADMP C[C@H](NC[C@@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523049 1194763112 /nfs/dbraw/zinc/76/31/12/1194763112.db2.gz MVTNZEJIROWCBW-RDJZCZTQSA-N 2 1 384.546 0.556 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423561289 1194764349 /nfs/dbraw/zinc/76/43/49/1194764349.db2.gz GHDBWJHOFJYSTN-FQEVSTJZSA-N 2 1 376.501 0.150 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423576790 1194769587 /nfs/dbraw/zinc/76/95/87/1194769587.db2.gz YWVQRALFNSZJIL-NRFANRHFSA-N 2 1 390.528 0.525 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423647515 1194776643 /nfs/dbraw/zinc/77/66/43/1194776643.db2.gz NCRDPJMCPGLRCG-UXHICEINSA-N 2 1 399.539 0.355 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000423651307 1194779319 /nfs/dbraw/zinc/77/93/19/1194779319.db2.gz LSFJADORFQYSSY-LLGFUMIMSA-N 2 1 388.512 0.291 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000423651306 1194779448 /nfs/dbraw/zinc/77/94/48/1194779448.db2.gz LSFJADORFQYSSY-CBGDNZLLSA-N 2 1 388.512 0.291 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423656124 1194780061 /nfs/dbraw/zinc/78/00/61/1194780061.db2.gz TZLWLNPYDQCDQO-VXNCWWDNSA-N 2 1 394.560 0.920 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423659216 1194780644 /nfs/dbraw/zinc/78/06/44/1194780644.db2.gz ZAHGXUYYCLIJSU-HGHGUNKESA-N 2 1 388.512 0.278 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000423672302 1194781906 /nfs/dbraw/zinc/78/19/06/1194781906.db2.gz XYFHFAPEOBTDHF-UHFFFAOYSA-N 2 1 376.501 0.279 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000423668600 1194782189 /nfs/dbraw/zinc/78/21/89/1194782189.db2.gz KGPURIKNDULJGV-MSOLQXFVSA-N 2 1 382.549 0.922 20 0 GCADMP O=C(C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423693288 1194783143 /nfs/dbraw/zinc/78/31/43/1194783143.db2.gz RVAVUAXKDSDFCM-ZRNYENFQSA-N 2 1 382.508 0.645 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)[C@H](C[NH3+])C1 ZINC000423683042 1194785357 /nfs/dbraw/zinc/78/53/57/1194785357.db2.gz WIZONSROPWIARH-HOTGVXAUSA-N 2 1 394.541 0.400 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423712079 1194787590 /nfs/dbraw/zinc/78/75/90/1194787590.db2.gz UWYFHBDZLKUFIS-UHFFFAOYSA-N 2 1 381.565 0.321 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1)CC[NH+](C)C ZINC000423712079 1194787592 /nfs/dbraw/zinc/78/75/92/1194787592.db2.gz UWYFHBDZLKUFIS-UHFFFAOYSA-N 2 1 381.565 0.321 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423718244 1194788426 /nfs/dbraw/zinc/78/84/26/1194788426.db2.gz KXEIIZOVENLZGR-MJGOQNOKSA-N 2 1 387.528 0.211 20 0 GCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423749622 1194791844 /nfs/dbraw/zinc/79/18/44/1194791844.db2.gz SYCWSZUPSAEHTP-OTWHNJEPSA-N 2 1 393.576 0.604 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424491475 1194816698 /nfs/dbraw/zinc/81/66/98/1194816698.db2.gz DMBZQDYAALQFKU-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424492341 1194816854 /nfs/dbraw/zinc/81/68/54/1194816854.db2.gz HVYSGLYVYYTWDH-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424492341 1194816855 /nfs/dbraw/zinc/81/68/55/1194816855.db2.gz HVYSGLYVYYTWDH-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+]3CCO[C@@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494705 1194817199 /nfs/dbraw/zinc/81/71/99/1194817199.db2.gz OGAVYYASMCBPRK-IRXDYDNUSA-N 2 1 392.544 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000424494914 1194817205 /nfs/dbraw/zinc/81/72/05/1194817205.db2.gz ORHBDZAXXDUGHA-SJORKVTESA-N 2 1 380.533 0.404 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCC[N@@H+](C)CCN(C)C)CC[NH2+]CC2 ZINC000424493654 1194817264 /nfs/dbraw/zinc/81/72/64/1194817264.db2.gz LJWRFQQQFWVWPF-QGZVFWFLSA-N 2 1 381.565 0.319 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCCN(C)CC[NH+](C)C)CC[NH2+]CC2 ZINC000424493654 1194817266 /nfs/dbraw/zinc/81/72/66/1194817266.db2.gz LJWRFQQQFWVWPF-QGZVFWFLSA-N 2 1 381.565 0.319 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)CC[NH2+]CC2 ZINC000424509816 1194819211 /nfs/dbraw/zinc/81/92/11/1194819211.db2.gz QTBRSFLIPMOORI-DLBZAZTESA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424520839 1194821389 /nfs/dbraw/zinc/82/13/89/1194821389.db2.gz LBKJITOLXNFQGA-BPQIPLTHSA-N 2 1 390.532 0.302 20 0 GCADMP CC[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664442138 1194865407 /nfs/dbraw/zinc/86/54/07/1194865407.db2.gz RJGYIOOEYJJIBB-LWYYNNOASA-N 2 1 390.528 0.982 20 0 GCADMP CC[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664442138 1194865410 /nfs/dbraw/zinc/86/54/10/1194865410.db2.gz RJGYIOOEYJJIBB-LWYYNNOASA-N 2 1 390.528 0.982 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H](C)C3=CC[N@@H+](C)CC3)C2)CC1 ZINC000514693985 1194895419 /nfs/dbraw/zinc/89/54/19/1194895419.db2.gz UKWTYYLCXXIZMC-HKUYNNGSSA-N 2 1 391.560 0.380 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1=O ZINC000425312810 1194907393 /nfs/dbraw/zinc/90/73/93/1194907393.db2.gz HEHKQAMRTBPZGK-GOSISDBHSA-N 2 1 376.501 0.657 20 0 GCADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1=O ZINC000425316726 1194908322 /nfs/dbraw/zinc/90/83/22/1194908322.db2.gz LXIQWHAHDQRKGD-MRXNPFEDSA-N 2 1 386.456 0.176 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1=O ZINC000425316726 1194908325 /nfs/dbraw/zinc/90/83/25/1194908325.db2.gz LXIQWHAHDQRKGD-MRXNPFEDSA-N 2 1 386.456 0.176 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000425378780 1194930876 /nfs/dbraw/zinc/93/08/76/1194930876.db2.gz CNZFRYRPAMBRAG-KRWDZBQOSA-N 2 1 380.533 0.500 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000515051309 1194942167 /nfs/dbraw/zinc/94/21/67/1194942167.db2.gz WJSMGAJTSKFQMT-UHFFFAOYSA-N 2 1 382.549 0.843 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000515136134 1194950554 /nfs/dbraw/zinc/95/05/54/1194950554.db2.gz HQHKTWYPCIGBPW-LJQANCHMSA-N 2 1 394.560 0.746 20 0 GCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000515136134 1194950556 /nfs/dbraw/zinc/95/05/56/1194950556.db2.gz HQHKTWYPCIGBPW-LJQANCHMSA-N 2 1 394.560 0.746 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000515136134 1194950557 /nfs/dbraw/zinc/95/05/57/1194950557.db2.gz HQHKTWYPCIGBPW-LJQANCHMSA-N 2 1 394.560 0.746 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000425403764 1194959202 /nfs/dbraw/zinc/95/92/02/1194959202.db2.gz ONYKZGJTQDZTCT-INDMIFKZSA-N 2 1 391.560 0.023 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000425406346 1194961417 /nfs/dbraw/zinc/96/14/17/1194961417.db2.gz SOAMXCJGYYONJM-SFHVURJKSA-N 2 1 394.560 0.746 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH+](Cc5ccccc5)[C@@H]4C3)C[C@@H]21 ZINC000425406929 1194963256 /nfs/dbraw/zinc/96/32/56/1194963256.db2.gz UPDRPMPGEOOSJU-FUMNGEBKSA-N 2 1 382.508 0.882 20 0 GCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[N@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]21 ZINC000425406929 1194963258 /nfs/dbraw/zinc/96/32/58/1194963258.db2.gz UPDRPMPGEOOSJU-FUMNGEBKSA-N 2 1 382.508 0.882 20 0 GCADMP C[NH+]1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)[C@@H]4C3)C[C@@H]21 ZINC000425406929 1194963260 /nfs/dbraw/zinc/96/32/60/1194963260.db2.gz UPDRPMPGEOOSJU-FUMNGEBKSA-N 2 1 382.508 0.882 20 0 GCADMP CCN1CCC([NH+]2CCC(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000515310908 1194967732 /nfs/dbraw/zinc/96/77/32/1194967732.db2.gz ZHBLEQYDNPGPLD-IBGZPJMESA-N 2 1 393.576 0.639 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000425438808 1194979209 /nfs/dbraw/zinc/97/92/09/1194979209.db2.gz DLFSBHWNVJJBEA-INIZCTEOSA-N 2 1 383.537 0.326 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000436044004 1194981674 /nfs/dbraw/zinc/98/16/74/1194981674.db2.gz AQDXAEOYQBZIJE-SFHVURJKSA-N 2 1 387.528 0.485 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCN1CCc2ccccc21 ZINC000436044004 1194981676 /nfs/dbraw/zinc/98/16/76/1194981676.db2.gz AQDXAEOYQBZIJE-SFHVURJKSA-N 2 1 387.528 0.485 20 0 GCADMP COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436050058 1194982192 /nfs/dbraw/zinc/98/21/92/1194982192.db2.gz ICWYGMHAOAQGGV-INIZCTEOSA-N 2 1 392.500 0.640 20 0 GCADMP COc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436050058 1194982193 /nfs/dbraw/zinc/98/21/93/1194982193.db2.gz ICWYGMHAOAQGGV-INIZCTEOSA-N 2 1 392.500 0.640 20 0 GCADMP Cc1cccc(OCCNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436057257 1194982672 /nfs/dbraw/zinc/98/26/72/1194982672.db2.gz FXXHAQLFPLEJQE-QGZVFWFLSA-N 2 1 376.501 0.810 20 0 GCADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436057257 1194982673 /nfs/dbraw/zinc/98/26/73/1194982673.db2.gz FXXHAQLFPLEJQE-QGZVFWFLSA-N 2 1 376.501 0.810 20 0 GCADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060041 1194983073 /nfs/dbraw/zinc/98/30/73/1194983073.db2.gz PZSPUFTVDCPFLQ-KRWDZBQOSA-N 2 1 376.501 0.673 20 0 GCADMP COc1ccccc1CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060041 1194983074 /nfs/dbraw/zinc/98/30/74/1194983074.db2.gz PZSPUFTVDCPFLQ-KRWDZBQOSA-N 2 1 376.501 0.673 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000425461861 1194984620 /nfs/dbraw/zinc/98/46/20/1194984620.db2.gz CTRUZDSWKYUYSP-KRWDZBQOSA-N 2 1 397.564 0.681 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000414878280 1194985624 /nfs/dbraw/zinc/98/56/24/1194985624.db2.gz ZADSHEKQADGHQS-OAQYLSRUSA-N 2 1 382.464 0.837 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC(CC)(CC)C1=O ZINC000505773969 1194990614 /nfs/dbraw/zinc/99/06/14/1194990614.db2.gz ULVIBRRBCCXSCS-INIZCTEOSA-N 2 1 395.548 0.972 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000285806105 1194990688 /nfs/dbraw/zinc/99/06/88/1194990688.db2.gz HDQRZYKYPLLBMJ-UHFFFAOYSA-N 2 1 387.484 0.607 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000516194671 1195030329 /nfs/dbraw/zinc/03/03/29/1195030329.db2.gz RASQQLXLOTWHKI-OHDICMOHSA-N 2 1 386.496 0.680 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000516194673 1195030773 /nfs/dbraw/zinc/03/07/73/1195030773.db2.gz RASQQLXLOTWHKI-VVWQDTPRSA-N 2 1 386.496 0.680 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000516254834 1195037489 /nfs/dbraw/zinc/03/74/89/1195037489.db2.gz FWOMIKPPAWBWMX-IBGZPJMESA-N 2 1 393.576 0.414 20 0 GCADMP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000516570882 1195072377 /nfs/dbraw/zinc/07/23/77/1195072377.db2.gz IUDPISDBFUSEKH-KRWDZBQOSA-N 2 1 396.513 0.506 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000516751378 1195089903 /nfs/dbraw/zinc/08/99/03/1195089903.db2.gz VTLRMYOSGKYOHR-QGZVFWFLSA-N 2 1 375.517 0.429 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000516751377 1195090191 /nfs/dbraw/zinc/09/01/91/1195090191.db2.gz VTLRMYOSGKYOHR-KRWDZBQOSA-N 2 1 375.517 0.429 20 0 GCADMP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000516857942 1195105873 /nfs/dbraw/zinc/10/58/73/1195105873.db2.gz QYBIYCQFPSRXNC-KURKYZTESA-N 2 1 388.512 0.653 20 0 GCADMP CCn1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)ccc1=O ZINC000437443633 1195109840 /nfs/dbraw/zinc/10/98/40/1195109840.db2.gz CWWOUVUXBQFYTR-UHFFFAOYSA-N 2 1 377.489 0.291 20 0 GCADMP CCn1cc(NC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1=O ZINC000437443633 1195109841 /nfs/dbraw/zinc/10/98/41/1195109841.db2.gz CWWOUVUXBQFYTR-UHFFFAOYSA-N 2 1 377.489 0.291 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)N1CC[NH+](C)CC1 ZINC000517186882 1195150970 /nfs/dbraw/zinc/15/09/70/1195150970.db2.gz KSBWTIPNROVLJM-FHWLQOOXSA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186882 1195150976 /nfs/dbraw/zinc/15/09/76/1195150976.db2.gz KSBWTIPNROVLJM-FHWLQOOXSA-N 2 1 393.576 0.317 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCN(C)CC1 ZINC000517186882 1195150979 /nfs/dbraw/zinc/15/09/79/1195150979.db2.gz KSBWTIPNROVLJM-FHWLQOOXSA-N 2 1 393.576 0.317 20 0 GCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000425887390 1195153280 /nfs/dbraw/zinc/15/32/80/1195153280.db2.gz RNNHBXABEIAUNC-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000425887390 1195153281 /nfs/dbraw/zinc/15/32/81/1195153281.db2.gz RNNHBXABEIAUNC-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000425887390 1195153284 /nfs/dbraw/zinc/15/32/84/1195153284.db2.gz RNNHBXABEIAUNC-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000517203249 1195155179 /nfs/dbraw/zinc/15/51/79/1195155179.db2.gz NAVWPNNGFVCNHP-INIZCTEOSA-N 2 1 378.517 0.324 20 0 GCADMP COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000425911022 1195165399 /nfs/dbraw/zinc/16/53/99/1195165399.db2.gz ZUGQJGSNEHONOG-KRWDZBQOSA-N 2 1 380.533 0.689 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000664672821 1195183149 /nfs/dbraw/zinc/18/31/49/1195183149.db2.gz DIKOAAZXPXEKKU-INIZCTEOSA-N 2 1 376.505 0.621 20 0 GCADMP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517525999 1195188650 /nfs/dbraw/zinc/18/86/50/1195188650.db2.gz CXBYRRFLIYISMG-DLBZAZTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@@H]1C ZINC000517525999 1195188653 /nfs/dbraw/zinc/18/86/53/1195188653.db2.gz CXBYRRFLIYISMG-DLBZAZTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@@H]1C ZINC000517525999 1195188654 /nfs/dbraw/zinc/18/86/54/1195188654.db2.gz CXBYRRFLIYISMG-DLBZAZTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517525999 1195188657 /nfs/dbraw/zinc/18/86/57/1195188657.db2.gz CXBYRRFLIYISMG-DLBZAZTESA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517525999 1195188660 /nfs/dbraw/zinc/18/86/60/1195188660.db2.gz CXBYRRFLIYISMG-DLBZAZTESA-N 2 1 380.533 0.377 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000517539491 1195189210 /nfs/dbraw/zinc/18/92/10/1195189210.db2.gz HGENZKHLQDHOLL-MSOLQXFVSA-N 2 1 377.558 0.807 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000517539491 1195189213 /nfs/dbraw/zinc/18/92/13/1195189213.db2.gz HGENZKHLQDHOLL-MSOLQXFVSA-N 2 1 377.558 0.807 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517593438 1195197020 /nfs/dbraw/zinc/19/70/20/1195197020.db2.gz CGTWLBSBHMSMFO-MRXNPFEDSA-N 2 1 382.549 0.671 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517593438 1195197023 /nfs/dbraw/zinc/19/70/23/1195197023.db2.gz CGTWLBSBHMSMFO-MRXNPFEDSA-N 2 1 382.549 0.671 20 0 GCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517668750 1195205275 /nfs/dbraw/zinc/20/52/75/1195205275.db2.gz XOGLXTPSICNFMH-QYZOEREBSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517668750 1195205278 /nfs/dbraw/zinc/20/52/78/1195205278.db2.gz XOGLXTPSICNFMH-QYZOEREBSA-N 2 1 394.560 0.936 20 0 GCADMP COC[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000438353491 1195211014 /nfs/dbraw/zinc/21/10/14/1195211014.db2.gz BRMNNRADOCIYAK-RZFLPCETSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000438353491 1195211015 /nfs/dbraw/zinc/21/10/15/1195211015.db2.gz BRMNNRADOCIYAK-RZFLPCETSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000438353491 1195211016 /nfs/dbraw/zinc/21/10/16/1195211016.db2.gz BRMNNRADOCIYAK-RZFLPCETSA-N 2 1 382.549 0.979 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000517755966 1195213668 /nfs/dbraw/zinc/21/36/68/1195213668.db2.gz AXKWLMJYFNGWCL-SJORKVTESA-N 2 1 382.574 0.908 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866908 1195225944 /nfs/dbraw/zinc/22/59/44/1195225944.db2.gz FILMLTIOWDMXSC-ROUUACIJSA-N 2 1 397.564 0.620 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866908 1195225948 /nfs/dbraw/zinc/22/59/48/1195225948.db2.gz FILMLTIOWDMXSC-ROUUACIJSA-N 2 1 397.564 0.620 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000517936825 1195230567 /nfs/dbraw/zinc/23/05/67/1195230567.db2.gz ZOIWIGCGCBDECU-BBWFWOEESA-N 2 1 375.517 0.555 20 0 GCADMP Cc1nc(C[NH+]2CCC(C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)CC2)cs1 ZINC000517961358 1195232598 /nfs/dbraw/zinc/23/25/98/1195232598.db2.gz QKDRUQLRKCPDRL-ZDUSSCGKSA-N 2 1 381.546 0.846 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)cn2)CC1 ZINC000414973646 1195274643 /nfs/dbraw/zinc/27/46/43/1195274643.db2.gz KPMXPARPDBRTIP-HNNXBMFYSA-N 3 1 387.454 0.154 20 0 GCADMP CCOC(=O)c1ccc(N2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2)nc1 ZINC000518376482 1195285601 /nfs/dbraw/zinc/28/56/01/1195285601.db2.gz UNGPZBMLQCHPGL-UHFFFAOYSA-N 2 1 389.500 0.592 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000518471174 1195293267 /nfs/dbraw/zinc/29/32/67/1195293267.db2.gz PNKAGLVCNLDNTR-SFHVURJKSA-N 2 1 395.548 0.293 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000506640900 1195339024 /nfs/dbraw/zinc/33/90/24/1195339024.db2.gz CEYFXFXFKNMTTP-MRXNPFEDSA-N 2 1 383.537 0.339 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000519117154 1195371677 /nfs/dbraw/zinc/37/16/77/1195371677.db2.gz RPYCDTHNDWDYBP-HXUWFJFHSA-N 2 1 387.528 0.708 20 0 GCADMP COc1nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)nc(N[C@H]2CC[NH+]3CCC[C@@H]3C2)n1 ZINC000426548324 1195373428 /nfs/dbraw/zinc/37/34/28/1195373428.db2.gz MBWYOHUNBKCTNW-YYIAUSFCSA-N 2 1 387.532 0.801 20 0 GCADMP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000426548324 1195373432 /nfs/dbraw/zinc/37/34/32/1195373432.db2.gz MBWYOHUNBKCTNW-YYIAUSFCSA-N 2 1 387.532 0.801 20 0 GCADMP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000426548324 1195373434 /nfs/dbraw/zinc/37/34/34/1195373434.db2.gz MBWYOHUNBKCTNW-YYIAUSFCSA-N 2 1 387.532 0.801 20 0 GCADMP COCCN1CC[C@H](NC(=O)C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)C1 ZINC000653392864 1195376585 /nfs/dbraw/zinc/37/65/85/1195376585.db2.gz MWCPXQOVYDRPNY-OALUTQOASA-N 2 1 388.512 0.209 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000299172900 1195391922 /nfs/dbraw/zinc/39/19/22/1195391922.db2.gz LTWYVLCLXCYAOI-CQSZACIVSA-N 2 1 375.473 0.079 20 0 GCADMP O=C(CN1CCC[N@H+](CC(=O)N2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000119701450 1195428577 /nfs/dbraw/zinc/42/85/77/1195428577.db2.gz KMGSRWVXTVIHFC-UHFFFAOYSA-N 2 1 391.560 0.360 20 0 GCADMP O=C(CN1CCC[N@@H+](CC(=O)N2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000119701450 1195428582 /nfs/dbraw/zinc/42/85/82/1195428582.db2.gz KMGSRWVXTVIHFC-UHFFFAOYSA-N 2 1 391.560 0.360 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096825 1195435254 /nfs/dbraw/zinc/43/52/54/1195435254.db2.gz LPKKOCQETDGRMH-KSZLIROESA-N 2 1 398.548 0.075 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096825 1195435257 /nfs/dbraw/zinc/43/52/57/1195435257.db2.gz LPKKOCQETDGRMH-KSZLIROESA-N 2 1 398.548 0.075 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550133416 1195445611 /nfs/dbraw/zinc/44/56/11/1195445611.db2.gz NZKSCJYAAQLKKV-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000550202549 1195460444 /nfs/dbraw/zinc/46/04/44/1195460444.db2.gz AXSUKKIYQVZBNP-IRXDYDNUSA-N 2 1 382.549 0.935 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000550202547 1195460464 /nfs/dbraw/zinc/46/04/64/1195460464.db2.gz AXSUKKIYQVZBNP-CALCHBBNSA-N 2 1 382.549 0.935 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000550202547 1195460468 /nfs/dbraw/zinc/46/04/68/1195460468.db2.gz AXSUKKIYQVZBNP-CALCHBBNSA-N 2 1 382.549 0.935 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000550204353 1195461556 /nfs/dbraw/zinc/46/15/56/1195461556.db2.gz JIFAUDVYCJOZRL-IYBDPMFKSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000550204353 1195461559 /nfs/dbraw/zinc/46/15/59/1195461559.db2.gz JIFAUDVYCJOZRL-IYBDPMFKSA-N 2 1 382.549 0.839 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000519590101 1195496190 /nfs/dbraw/zinc/49/61/90/1195496190.db2.gz UJBQZDXAPYVPOW-CVEARBPZSA-N 2 1 380.562 0.239 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519593355 1195501672 /nfs/dbraw/zinc/50/16/72/1195501672.db2.gz UUZMQRRNPCSZJA-SJLPKXTDSA-N 2 1 377.533 0.857 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000550284957 1195512929 /nfs/dbraw/zinc/51/29/29/1195512929.db2.gz ZISIGCPBVLGBJB-UHFFFAOYSA-N 2 1 381.565 0.367 20 0 GCADMP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507435050 1195521468 /nfs/dbraw/zinc/52/14/68/1195521468.db2.gz VLZAVHKBGPQEQH-DOTOQJQBSA-N 2 1 395.548 0.781 20 0 GCADMP CO[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427467849 1195543239 /nfs/dbraw/zinc/54/32/39/1195543239.db2.gz XAZIKTWYMNDFBS-NNZMDNLPSA-N 2 1 378.517 0.487 20 0 GCADMP CO[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427467849 1195543241 /nfs/dbraw/zinc/54/32/41/1195543241.db2.gz XAZIKTWYMNDFBS-NNZMDNLPSA-N 2 1 378.517 0.487 20 0 GCADMP CO[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427467849 1195543243 /nfs/dbraw/zinc/54/32/43/1195543243.db2.gz XAZIKTWYMNDFBS-NNZMDNLPSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)NC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000427496241 1195545839 /nfs/dbraw/zinc/54/58/39/1195545839.db2.gz VELUTEDSDBBYIP-JCGIZDLHSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427496241 1195545841 /nfs/dbraw/zinc/54/58/41/1195545841.db2.gz VELUTEDSDBBYIP-JCGIZDLHSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000427496241 1195545846 /nfs/dbraw/zinc/54/58/46/1195545846.db2.gz VELUTEDSDBBYIP-JCGIZDLHSA-N 2 1 378.517 0.487 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000519734353 1195567244 /nfs/dbraw/zinc/56/72/44/1195567244.db2.gz YBVLCJZAVUWWQR-SJLPKXTDSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000519774181 1195569068 /nfs/dbraw/zinc/56/90/68/1195569068.db2.gz LIBJWZHBVNGRJQ-HOTGVXAUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000519774181 1195569072 /nfs/dbraw/zinc/56/90/72/1195569072.db2.gz LIBJWZHBVNGRJQ-HOTGVXAUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774181 1195569075 /nfs/dbraw/zinc/56/90/75/1195569075.db2.gz LIBJWZHBVNGRJQ-HOTGVXAUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774181 1195569079 /nfs/dbraw/zinc/56/90/79/1195569079.db2.gz LIBJWZHBVNGRJQ-HOTGVXAUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550318255 1195590067 /nfs/dbraw/zinc/59/00/67/1195590067.db2.gz VJLSYGOOKZSABQ-JTDSTZFVSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550318255 1195590070 /nfs/dbraw/zinc/59/00/70/1195590070.db2.gz VJLSYGOOKZSABQ-JTDSTZFVSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285072 1195615984 /nfs/dbraw/zinc/61/59/84/1195615984.db2.gz KSRJDWLWDJOTJF-LPHOPBHVSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000520335134 1195621939 /nfs/dbraw/zinc/62/19/39/1195621939.db2.gz DYPXYVLFBIXQCB-QRVBRYPASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000520335134 1195621943 /nfs/dbraw/zinc/62/19/43/1195621943.db2.gz DYPXYVLFBIXQCB-QRVBRYPASA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579239900 1195624359 /nfs/dbraw/zinc/62/43/59/1195624359.db2.gz SAVBWKBAUIEDBH-DLTLXFJOSA-N 2 1 392.525 0.671 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579239900 1195624362 /nfs/dbraw/zinc/62/43/62/1195624362.db2.gz SAVBWKBAUIEDBH-DLTLXFJOSA-N 2 1 392.525 0.671 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000550330280 1195634193 /nfs/dbraw/zinc/63/41/93/1195634193.db2.gz TWNCULAQCMHHEB-UHFFFAOYSA-N 2 1 395.592 0.901 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)C1 ZINC000550358459 1195643887 /nfs/dbraw/zinc/64/38/87/1195643887.db2.gz APWSYDFUKSBMMI-ROUUACIJSA-N 2 1 382.549 0.698 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21)[NH+](C)C ZINC000550367680 1195646638 /nfs/dbraw/zinc/64/66/38/1195646638.db2.gz HQGMEFKEMVVSKU-RYQLBKOJSA-N 2 1 388.512 0.967 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000550367680 1195646640 /nfs/dbraw/zinc/64/66/40/1195646640.db2.gz HQGMEFKEMVVSKU-RYQLBKOJSA-N 2 1 388.512 0.967 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000550369373 1195647529 /nfs/dbraw/zinc/64/75/29/1195647529.db2.gz STHNFEIBFGDZML-DOTOQJQBSA-N 2 1 376.501 0.967 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000550380959 1195648643 /nfs/dbraw/zinc/64/86/43/1195648643.db2.gz CWONWWUUNUCLHC-GOSISDBHSA-N 2 1 395.592 0.754 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000550380855 1195648803 /nfs/dbraw/zinc/64/88/03/1195648803.db2.gz BJZVTUJMMLBMOD-QZTJIDSGSA-N 2 1 397.608 0.857 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3nc(C(N)=O)cc(N4CC[C@@H]5[C@H](CC[N@@H+]5C)C4)n3)CC[C@H]21 ZINC000895020887 1195650533 /nfs/dbraw/zinc/65/05/33/1195650533.db2.gz CZLCGHPZDCSURS-JOCBIADPSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@H](CC[N@@H+]5C)C4)n3)CC[C@H]21 ZINC000895020887 1195650536 /nfs/dbraw/zinc/65/05/36/1195650536.db2.gz CZLCGHPZDCSURS-JOCBIADPSA-N 2 1 399.543 0.636 20 0 GCADMP C[NH+]1CC[C@@H]2CN(c3cc(C(N)=O)nc(N4CC[C@@H]5[C@H](CC[N@H+]5C)C4)n3)CC[C@H]21 ZINC000895020887 1195650538 /nfs/dbraw/zinc/65/05/38/1195650538.db2.gz CZLCGHPZDCSURS-JOCBIADPSA-N 2 1 399.543 0.636 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550383322 1195651679 /nfs/dbraw/zinc/65/16/79/1195651679.db2.gz GMINURIGIKHILR-QYZOEREBSA-N 2 1 393.576 0.460 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976693 1195652393 /nfs/dbraw/zinc/65/23/93/1195652393.db2.gz SCGZUFIPUHNRIF-GJZGRUSLSA-N 2 1 380.514 0.984 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000328938161 1195676482 /nfs/dbraw/zinc/67/64/82/1195676482.db2.gz DFLADWNIHAYGNP-SQNIBIBYSA-N 2 1 380.533 0.641 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C[C@H]1C ZINC000328938161 1195676487 /nfs/dbraw/zinc/67/64/87/1195676487.db2.gz DFLADWNIHAYGNP-SQNIBIBYSA-N 2 1 380.533 0.641 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520551143 1195784972 /nfs/dbraw/zinc/78/49/72/1195784972.db2.gz NZJHEVMVWYEPLX-UHOSZYNNSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520551143 1195784976 /nfs/dbraw/zinc/78/49/76/1195784976.db2.gz NZJHEVMVWYEPLX-UHOSZYNNSA-N 2 1 388.512 0.732 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000520629279 1195806254 /nfs/dbraw/zinc/80/62/54/1195806254.db2.gz DSKFOLVNXBYGPH-QGZVFWFLSA-N 2 1 382.549 0.698 20 0 GCADMP C[C@H](CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427796343 1195877818 /nfs/dbraw/zinc/87/78/18/1195877818.db2.gz JAZPCFYIURCWEB-FQBWVUSXSA-N 2 1 376.545 0.833 20 0 GCADMP C[C@H](CCC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427796343 1195877821 /nfs/dbraw/zinc/87/78/21/1195877821.db2.gz JAZPCFYIURCWEB-FQBWVUSXSA-N 2 1 376.545 0.833 20 0 GCADMP C[C@H](CCC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427796343 1195877826 /nfs/dbraw/zinc/87/78/26/1195877826.db2.gz JAZPCFYIURCWEB-FQBWVUSXSA-N 2 1 376.545 0.833 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1)N1CCOCC1 ZINC000428031133 1195905980 /nfs/dbraw/zinc/90/59/80/1195905980.db2.gz JXTVBOLTZVJJQD-APWZRJJASA-N 2 1 395.525 0.770 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1)N1CCOCC1 ZINC000428031133 1195905983 /nfs/dbraw/zinc/90/59/83/1195905983.db2.gz JXTVBOLTZVJJQD-APWZRJJASA-N 2 1 395.525 0.770 20 0 GCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)cc2C1 ZINC000441998153 1195937403 /nfs/dbraw/zinc/93/74/03/1195937403.db2.gz IOMVFGJPGZBWPY-HNNXBMFYSA-N 2 1 387.484 0.274 20 0 GCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@H](C(N)=O)C3)cc2C1 ZINC000441998153 1195937405 /nfs/dbraw/zinc/93/74/05/1195937405.db2.gz IOMVFGJPGZBWPY-HNNXBMFYSA-N 2 1 387.484 0.274 20 0 GCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@H](C(N)=O)C3)cc2C1 ZINC000441998153 1195937407 /nfs/dbraw/zinc/93/74/07/1195937407.db2.gz IOMVFGJPGZBWPY-HNNXBMFYSA-N 2 1 387.484 0.274 20 0 GCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)cc2C1 ZINC000441998153 1195937410 /nfs/dbraw/zinc/93/74/10/1195937410.db2.gz IOMVFGJPGZBWPY-HNNXBMFYSA-N 2 1 387.484 0.274 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000521036013 1195955822 /nfs/dbraw/zinc/95/58/22/1195955822.db2.gz JEJPIWFXMLSWDD-LSDHHAIUSA-N 2 1 379.530 0.021 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000442167137 1195959316 /nfs/dbraw/zinc/95/93/16/1195959316.db2.gz XSQCHJABIWOGPX-APWZRJJASA-N 2 1 387.528 0.971 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000442334436 1195977259 /nfs/dbraw/zinc/97/72/59/1195977259.db2.gz MILJYYWAKDEOBU-AWEZNQCLSA-N 2 1 387.484 0.892 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C1=CC[N@@H+](C)CC1 ZINC000442334436 1195977261 /nfs/dbraw/zinc/97/72/61/1195977261.db2.gz MILJYYWAKDEOBU-AWEZNQCLSA-N 2 1 387.484 0.892 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000550458269 1195980276 /nfs/dbraw/zinc/98/02/76/1195980276.db2.gz LBYQNLQEGKWKEN-SFHVURJKSA-N 2 1 382.549 0.650 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233916 1195980903 /nfs/dbraw/zinc/98/09/03/1195980903.db2.gz WTTMMHPWFGTZIO-ROUUACIJSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233915 1195980974 /nfs/dbraw/zinc/98/09/74/1195980974.db2.gz WTTMMHPWFGTZIO-QZTJIDSGSA-N 2 1 380.533 0.548 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443059321 1196018711 /nfs/dbraw/zinc/01/87/11/1196018711.db2.gz MKMAMYBDVWNNJM-MRXNPFEDSA-N 2 1 382.530 0.444 20 0 GCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000469764983 1196022556 /nfs/dbraw/zinc/02/25/56/1196022556.db2.gz QRBPNUWZLHTLSW-RDJZCZTQSA-N 2 1 387.550 0.425 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000521926227 1196026048 /nfs/dbraw/zinc/02/60/48/1196026048.db2.gz DIANLMRXGFRWSL-GOSISDBHSA-N 2 1 381.565 0.223 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C[N@H+]1C1CC1 ZINC000521937702 1196026959 /nfs/dbraw/zinc/02/69/59/1196026959.db2.gz UVIDQUAAPVAPPV-HUHSQHJXSA-N 2 1 378.517 0.222 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[N@H+]1C1CC1 ZINC000521937703 1196027117 /nfs/dbraw/zinc/02/71/17/1196027117.db2.gz UVIDQUAAPVAPPV-KCMWZYNZSA-N 2 1 378.517 0.222 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000522014944 1196034442 /nfs/dbraw/zinc/03/44/42/1196034442.db2.gz RSPHNEXLOGGOED-YSHGAJCASA-N 2 1 385.512 0.850 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1Cc1cc(=O)n2nccc2[nH]1 ZINC001087577788 1196049106 /nfs/dbraw/zinc/04/91/06/1196049106.db2.gz JKKRRIXROJFIHP-MXASKKJJSA-N 2 1 386.500 0.832 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@H+]1CCCN1C(=O)CNC1=O ZINC001087578274 1196050250 /nfs/dbraw/zinc/05/02/50/1196050250.db2.gz LOFKNNOVSPEROT-LVQVYYBASA-N 2 1 379.505 0.238 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001087578274 1196050251 /nfs/dbraw/zinc/05/02/51/1196050251.db2.gz LOFKNNOVSPEROT-LVQVYYBASA-N 2 1 379.505 0.238 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001087578274 1196050254 /nfs/dbraw/zinc/05/02/54/1196050254.db2.gz LOFKNNOVSPEROT-LVQVYYBASA-N 2 1 379.505 0.238 20 0 GCADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516402 1196064255 /nfs/dbraw/zinc/06/42/55/1196064255.db2.gz MUZIGNQIBVURAB-DLBZAZTESA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000550518530 1196071623 /nfs/dbraw/zinc/07/16/23/1196071623.db2.gz DYFSUPLMOBEEFX-WMZOPIPTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518530 1196071626 /nfs/dbraw/zinc/07/16/26/1196071626.db2.gz DYFSUPLMOBEEFX-WMZOPIPTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000550518530 1196071628 /nfs/dbraw/zinc/07/16/28/1196071628.db2.gz DYFSUPLMOBEEFX-WMZOPIPTSA-N 2 1 379.549 0.071 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000550518528 1196071853 /nfs/dbraw/zinc/07/18/53/1196071853.db2.gz DYFSUPLMOBEEFX-FUHWJXTLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518528 1196071855 /nfs/dbraw/zinc/07/18/55/1196071855.db2.gz DYFSUPLMOBEEFX-FUHWJXTLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000550518528 1196071858 /nfs/dbraw/zinc/07/18/58/1196071858.db2.gz DYFSUPLMOBEEFX-FUHWJXTLSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550519388 1196072217 /nfs/dbraw/zinc/07/22/17/1196072217.db2.gz NPXUBIWGRVYADP-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000550519388 1196072220 /nfs/dbraw/zinc/07/22/20/1196072220.db2.gz NPXUBIWGRVYADP-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000550519388 1196072222 /nfs/dbraw/zinc/07/22/22/1196072222.db2.gz NPXUBIWGRVYADP-SJLPKXTDSA-N 2 1 381.565 0.460 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000550518769 1196072857 /nfs/dbraw/zinc/07/28/57/1196072857.db2.gz IQEYWLDINNVQBQ-WMZOPIPTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000550518769 1196072860 /nfs/dbraw/zinc/07/28/60/1196072860.db2.gz IQEYWLDINNVQBQ-WMZOPIPTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1 ZINC000550518769 1196072862 /nfs/dbraw/zinc/07/28/62/1196072862.db2.gz IQEYWLDINNVQBQ-WMZOPIPTSA-N 2 1 379.549 0.071 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000522319329 1196077476 /nfs/dbraw/zinc/07/74/76/1196077476.db2.gz UFGAADZXINLVSI-UHFFFAOYSA-N 2 1 397.564 0.729 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000550549388 1196083648 /nfs/dbraw/zinc/08/36/48/1196083648.db2.gz BQTYEUSZHUWPCU-GOSISDBHSA-N 2 1 385.468 0.385 20 0 GCADMP COCCN1CC[C@@H](NC(=O)C(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000550549388 1196083650 /nfs/dbraw/zinc/08/36/50/1196083650.db2.gz BQTYEUSZHUWPCU-GOSISDBHSA-N 2 1 385.468 0.385 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574893 1196091183 /nfs/dbraw/zinc/09/11/83/1196091183.db2.gz JMHHBWYXRLGDMA-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574893 1196091185 /nfs/dbraw/zinc/09/11/85/1196091185.db2.gz JMHHBWYXRLGDMA-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574893 1196091188 /nfs/dbraw/zinc/09/11/88/1196091188.db2.gz JMHHBWYXRLGDMA-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574893 1196091189 /nfs/dbraw/zinc/09/11/89/1196091189.db2.gz JMHHBWYXRLGDMA-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CCC[NH+]1CC[C@@H](CNC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550574893 1196091192 /nfs/dbraw/zinc/09/11/92/1196091192.db2.gz JMHHBWYXRLGDMA-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580950 1196092776 /nfs/dbraw/zinc/09/27/76/1196092776.db2.gz DZOMDRYUYCFMSD-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580950 1196092777 /nfs/dbraw/zinc/09/27/77/1196092777.db2.gz DZOMDRYUYCFMSD-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580950 1196092779 /nfs/dbraw/zinc/09/27/79/1196092779.db2.gz DZOMDRYUYCFMSD-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580950 1196092780 /nfs/dbraw/zinc/09/27/80/1196092780.db2.gz DZOMDRYUYCFMSD-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580950 1196092782 /nfs/dbraw/zinc/09/27/82/1196092782.db2.gz DZOMDRYUYCFMSD-IXDOHACOSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580012 1196092881 /nfs/dbraw/zinc/09/28/81/1196092881.db2.gz CBKGUHOPSZGQQT-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580012 1196092882 /nfs/dbraw/zinc/09/28/82/1196092882.db2.gz CBKGUHOPSZGQQT-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000550580012 1196092884 /nfs/dbraw/zinc/09/28/84/1196092884.db2.gz CBKGUHOPSZGQQT-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000114587368 1196106117 /nfs/dbraw/zinc/10/61/17/1196106117.db2.gz CLIFVFFKPCUUEX-OALUTQOASA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000114587368 1196106120 /nfs/dbraw/zinc/10/61/20/1196106120.db2.gz CLIFVFFKPCUUEX-OALUTQOASA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000114587368 1196106121 /nfs/dbraw/zinc/10/61/21/1196106121.db2.gz CLIFVFFKPCUUEX-OALUTQOASA-N 2 1 383.581 0.796 20 0 GCADMP CC1(C)CC(NC(=O)NCCCCN2CC[NH+](CCO)CC2)CC(C)(C)[NH2+]1 ZINC000114581947 1196106150 /nfs/dbraw/zinc/10/61/50/1196106150.db2.gz AZLLXNJOFKFFJR-UHFFFAOYSA-N 2 1 383.581 0.985 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000895666998 1196107480 /nfs/dbraw/zinc/10/74/80/1196107480.db2.gz VNRCZLOFQBLKBW-QFBILLFUSA-N 2 1 380.537 0.997 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000895666998 1196107482 /nfs/dbraw/zinc/10/74/82/1196107482.db2.gz VNRCZLOFQBLKBW-QFBILLFUSA-N 2 1 380.537 0.997 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@@H+](C)[C@H]2C)n1 ZINC000895739757 1196110594 /nfs/dbraw/zinc/11/05/94/1196110594.db2.gz JAKURJGWCNLSQU-LXTVHRRPSA-N 2 1 378.525 0.939 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@@H]2CC[NH+](C)[C@H]2C)n1 ZINC000895739757 1196110597 /nfs/dbraw/zinc/11/05/97/1196110597.db2.gz JAKURJGWCNLSQU-LXTVHRRPSA-N 2 1 378.525 0.939 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)nc(N[C@@H]2CC[NH+](C)[C@H]2C)n1 ZINC000895739757 1196110598 /nfs/dbraw/zinc/11/05/98/1196110598.db2.gz JAKURJGWCNLSQU-LXTVHRRPSA-N 2 1 378.525 0.939 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@@H+]3C)[nH]n2)CC1 ZINC000896163396 1196130092 /nfs/dbraw/zinc/13/00/92/1196130092.db2.gz MGWLDOJSDHTDER-QGZVFWFLSA-N 2 1 376.505 0.803 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc([C@H]3CCC[N@H+]3C)[nH]n2)CC1 ZINC000896163396 1196130094 /nfs/dbraw/zinc/13/00/94/1196130094.db2.gz MGWLDOJSDHTDER-QGZVFWFLSA-N 2 1 376.505 0.803 20 0 GCADMP CC(C)n1nnnc1CN1CC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001087971722 1196142771 /nfs/dbraw/zinc/14/27/71/1196142771.db2.gz PGMLOZDSHRZWDY-WCXIOVBPSA-N 2 1 375.521 0.875 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896440968 1196148403 /nfs/dbraw/zinc/14/84/03/1196148403.db2.gz NVKFBYVOEBJVOX-QGZVFWFLSA-N 2 1 387.528 0.819 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153812 /nfs/dbraw/zinc/15/38/12/1196153812.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153815 /nfs/dbraw/zinc/15/38/15/1196153815.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532880 1196153818 /nfs/dbraw/zinc/15/38/18/1196153818.db2.gz NBGGMGMRUHQUHP-RNQOJCNYSA-N 2 1 390.576 0.985 20 0 GCADMP CC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329356235 1196188181 /nfs/dbraw/zinc/18/81/81/1196188181.db2.gz GYHOSSOMGZJBJN-GOSISDBHSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011694 1196217311 /nfs/dbraw/zinc/21/73/11/1196217311.db2.gz YZKXWUJSZJPOHO-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011694 1196217313 /nfs/dbraw/zinc/21/73/13/1196217313.db2.gz YZKXWUJSZJPOHO-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011694 1196217316 /nfs/dbraw/zinc/21/73/16/1196217316.db2.gz YZKXWUJSZJPOHO-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011694 1196217320 /nfs/dbraw/zinc/21/73/20/1196217320.db2.gz YZKXWUJSZJPOHO-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726837 1196227229 /nfs/dbraw/zinc/22/72/29/1196227229.db2.gz OOTIOSAMGJDNST-FGTMMUONSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726837 1196227231 /nfs/dbraw/zinc/22/72/31/1196227231.db2.gz OOTIOSAMGJDNST-FGTMMUONSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726837 1196227233 /nfs/dbraw/zinc/22/72/33/1196227233.db2.gz OOTIOSAMGJDNST-FGTMMUONSA-N 2 1 380.533 0.498 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122405 1196254327 /nfs/dbraw/zinc/25/43/27/1196254327.db2.gz KHXQXADFBFDAKW-QYZOEREBSA-N 2 1 392.544 0.642 20 0 GCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122405 1196254330 /nfs/dbraw/zinc/25/43/30/1196254330.db2.gz KHXQXADFBFDAKW-QYZOEREBSA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000330122405 1196254332 /nfs/dbraw/zinc/25/43/32/1196254332.db2.gz KHXQXADFBFDAKW-QYZOEREBSA-N 2 1 392.544 0.642 20 0 GCADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000330298963 1196267287 /nfs/dbraw/zinc/26/72/87/1196267287.db2.gz LYYHRCSWWNJIBA-ROUUACIJSA-N 2 1 380.533 0.642 20 0 GCADMP CC1CC[NH+](CC(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)CC1 ZINC000475052354 1196306821 /nfs/dbraw/zinc/30/68/21/1196306821.db2.gz QQVYRWHOJSWARI-UHFFFAOYSA-N 2 1 394.560 0.795 20 0 GCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC2(O)CC[NH+](C)CC2)ccc1Cl ZINC000281671521 1196320953 /nfs/dbraw/zinc/32/09/53/1196320953.db2.gz LOOHRRVJDPHSJM-UHFFFAOYSA-N 2 1 382.892 0.913 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000522985980 1196373437 /nfs/dbraw/zinc/37/34/37/1196373437.db2.gz YFMLRHLLJXEPNG-WOJBJXKFSA-N 2 1 389.544 0.995 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC4(CCOCC4)CC[C@@H]3CO)cn2)CC1 ZINC000897175712 1196402258 /nfs/dbraw/zinc/40/22/58/1196402258.db2.gz HSHAXRZDLUDZBA-GOSISDBHSA-N 2 1 375.517 0.982 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC4(CCOCC4)CC[C@@H]3CO)cn2)CC1 ZINC000897175712 1196402260 /nfs/dbraw/zinc/40/22/60/1196402260.db2.gz HSHAXRZDLUDZBA-GOSISDBHSA-N 2 1 375.517 0.982 20 0 GCADMP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)(N2CCOCC2)CC1 ZINC000665719767 1196449326 /nfs/dbraw/zinc/44/93/26/1196449326.db2.gz SAJABJKGGBERJE-SFHVURJKSA-N 2 1 379.549 0.567 20 0 GCADMP CC1(C)CCC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000444611306 1196508739 /nfs/dbraw/zinc/50/87/39/1196508739.db2.gz FXQLJFKSESGCTB-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CC1(C)CCC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000444611306 1196508742 /nfs/dbraw/zinc/50/87/42/1196508742.db2.gz FXQLJFKSESGCTB-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000523460051 1196526081 /nfs/dbraw/zinc/52/60/81/1196526081.db2.gz ILAXKUQGVPPYRE-MRXNPFEDSA-N 2 1 392.500 0.650 20 0 GCADMP COCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000523918105 1196566764 /nfs/dbraw/zinc/56/67/64/1196566764.db2.gz CYJYJLOBNINEFE-QGZVFWFLSA-N 2 1 383.537 0.339 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000524698788 1196615900 /nfs/dbraw/zinc/61/59/00/1196615900.db2.gz YDLMTVWRQOXWSB-ROUUACIJSA-N 2 1 382.549 0.603 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446273777 1196630005 /nfs/dbraw/zinc/63/00/05/1196630005.db2.gz CLKNCGDPEVWYNK-XAUMDUMWSA-N 2 1 380.533 0.626 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000446464786 1196643272 /nfs/dbraw/zinc/64/32/72/1196643272.db2.gz RWRFKFQLVMMCFP-IBGZPJMESA-N 2 1 392.544 0.690 20 0 GCADMP COC(=O)[C@H]1CC12CC[NH+](CC(O)C[NH+]1CCC3(C[C@@H]3C(=O)OC)CC1)CC2 ZINC000447350646 1196710828 /nfs/dbraw/zinc/71/08/28/1196710828.db2.gz KXXOCYLCYAWKDK-IAGOWNOFSA-N 2 1 394.512 0.898 20 0 GCADMP CO[C@@H](C[NH3+])CC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000447439876 1196722400 /nfs/dbraw/zinc/72/24/00/1196722400.db2.gz IZPWLNOTFSRPPP-LJQANCHMSA-N 2 1 390.528 0.837 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447908094 1196756271 /nfs/dbraw/zinc/75/62/71/1196756271.db2.gz UEZFDQXTXXPRJM-VQTJNVASSA-N 2 1 391.512 0.859 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447908094 1196756273 /nfs/dbraw/zinc/75/62/73/1196756273.db2.gz UEZFDQXTXXPRJM-VQTJNVASSA-N 2 1 391.512 0.859 20 0 GCADMP C[C@H]([NH2+][C@@H](CO)[C@H]1CCCO1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447900879 1196759512 /nfs/dbraw/zinc/75/95/12/1196759512.db2.gz FHCRRHDTJFJIEG-FFZOFVMBSA-N 2 1 391.512 0.653 20 0 GCADMP COCCc1noc(CC2CC[NH+](CCC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000528627813 1196875105 /nfs/dbraw/zinc/87/51/05/1196875105.db2.gz QUFPLBPDOSKOFO-UHFFFAOYSA-N 2 1 379.505 0.677 20 0 GCADMP C[C@]1(CO)C[NH+](CCCCC[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)C[C@@]1(C)CO ZINC000528753632 1196887387 /nfs/dbraw/zinc/88/73/87/1196887387.db2.gz WJBWMVDYLMWVJZ-FXELSEDVSA-N 2 1 386.577 0.782 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@H]3COCC[NH2+]3)c2)C1 ZINC000529305601 1196912708 /nfs/dbraw/zinc/91/27/08/1196912708.db2.gz IYKCZCDYGOHUGX-ROUUACIJSA-N 2 1 389.500 0.172 20 0 GCADMP O=C(NCc1cccc(-n2ccnc2)c1)N1CCN(C(=O)N2CCNCC2)CC1 ZINC000529308442 1196912753 /nfs/dbraw/zinc/91/27/53/1196912753.db2.gz GUHGDUNHBPGHFS-UHFFFAOYSA-N 2 1 397.483 0.725 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318636 1196914434 /nfs/dbraw/zinc/91/44/34/1196914434.db2.gz XQTDIGSLQJPIND-HZPDHXFCSA-N 2 1 378.473 0.566 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318636 1196914437 /nfs/dbraw/zinc/91/44/37/1196914437.db2.gz XQTDIGSLQJPIND-HZPDHXFCSA-N 2 1 378.473 0.566 20 0 GCADMP C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000450482814 1196929800 /nfs/dbraw/zinc/92/98/00/1196929800.db2.gz DDRZGPNZSNPWQP-DXXZMKCOSA-N 2 1 388.556 0.974 20 0 GCADMP C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000450482814 1196929803 /nfs/dbraw/zinc/92/98/03/1196929803.db2.gz DDRZGPNZSNPWQP-DXXZMKCOSA-N 2 1 388.556 0.974 20 0 GCADMP CN(Cc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)ccc1F)[C@@]1(CO)CCOC1 ZINC000450706876 1196949187 /nfs/dbraw/zinc/94/91/87/1196949187.db2.gz GSBMGGNHCOPOPG-WOJBJXKFSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)ccc1F)[C@@]1(CO)CCOC1 ZINC000450706876 1196949190 /nfs/dbraw/zinc/94/91/90/1196949190.db2.gz GSBMGGNHCOPOPG-WOJBJXKFSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000450706876 1196949197 /nfs/dbraw/zinc/94/91/97/1196949197.db2.gz GSBMGGNHCOPOPG-WOJBJXKFSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000450706876 1196949200 /nfs/dbraw/zinc/94/92/00/1196949200.db2.gz GSBMGGNHCOPOPG-WOJBJXKFSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991114 /nfs/dbraw/zinc/99/11/14/1196991114.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 2 1 377.533 0.014 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991116 /nfs/dbraw/zinc/99/11/16/1196991116.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 2 1 377.533 0.014 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991119 /nfs/dbraw/zinc/99/11/19/1196991119.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 2 1 377.533 0.014 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991121 /nfs/dbraw/zinc/99/11/21/1196991121.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 2 1 377.533 0.014 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000671099406 1196991124 /nfs/dbraw/zinc/99/11/24/1196991124.db2.gz ABORZVPFJQHDED-XYJFISCASA-N 2 1 377.533 0.014 20 0 GCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000530806701 1197017744 /nfs/dbraw/zinc/01/77/44/1197017744.db2.gz HUNIGMLWPKLPTN-QGZVFWFLSA-N 2 1 387.528 0.831 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1cn(C)c(=O)[nH]c1=O ZINC000530949673 1197032276 /nfs/dbraw/zinc/03/22/76/1197032276.db2.gz IJYGDVDINSQFGT-UHFFFAOYSA-N 2 1 391.516 0.754 20 0 GCADMP CC1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000452127797 1197040120 /nfs/dbraw/zinc/04/01/20/1197040120.db2.gz SYTSVGCAARGDGH-MCEIDBOGSA-N 2 1 388.556 0.977 20 0 GCADMP COC(CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897366039 1197050010 /nfs/dbraw/zinc/05/00/10/1197050010.db2.gz HVRHYCLDEPSTDC-HOTGVXAUSA-N 2 1 382.549 0.979 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358964 1197054827 /nfs/dbraw/zinc/05/48/27/1197054827.db2.gz GWSPXGCNHBEELF-RCCFBDPRSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452358964 1197054829 /nfs/dbraw/zinc/05/48/29/1197054829.db2.gz GWSPXGCNHBEELF-RCCFBDPRSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1=O ZINC000452358964 1197054832 /nfs/dbraw/zinc/05/48/32/1197054832.db2.gz GWSPXGCNHBEELF-RCCFBDPRSA-N 2 1 380.533 0.282 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531293568 1197063655 /nfs/dbraw/zinc/06/36/55/1197063655.db2.gz JYMJBYDMKRQSTD-NRFANRHFSA-N 2 1 388.512 0.292 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531293568 1197063659 /nfs/dbraw/zinc/06/36/59/1197063659.db2.gz JYMJBYDMKRQSTD-NRFANRHFSA-N 2 1 388.512 0.292 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000531759057 1197095276 /nfs/dbraw/zinc/09/52/76/1197095276.db2.gz DWVWILKWQNLGAM-MOPGFXCFSA-N 2 1 381.565 0.691 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000172344313 1197159701 /nfs/dbraw/zinc/15/97/01/1197159701.db2.gz AAARSLLYRXPXBE-IAGOWNOFSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)CC[N@H+]1C ZINC000986340729 1197167128 /nfs/dbraw/zinc/16/71/28/1197167128.db2.gz YOSHXLNIUSTLKT-OQIJWPOYSA-N 2 1 376.545 0.975 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]3CN(C(=O)Cc4cncn4C)C[C@@H]3C2)CC[N@H+]1C ZINC000986418100 1197170325 /nfs/dbraw/zinc/17/03/25/1197170325.db2.gz GBRPFNAUNNWLMR-KCITZHQASA-N 2 1 387.528 1.000 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nc(C)nn2C1 ZINC000174635233 1197181811 /nfs/dbraw/zinc/18/18/11/1197181811.db2.gz QHEUWLYIUUYCCV-SJORKVTESA-N 2 1 377.537 0.959 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176410887 1197186862 /nfs/dbraw/zinc/18/68/62/1197186862.db2.gz RYXPNJVPISLEDJ-GOSISDBHSA-N 2 1 381.565 0.766 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000176828483 1197188184 /nfs/dbraw/zinc/18/81/84/1197188184.db2.gz LTTJHGRXCMCNAA-IEBWSBKVSA-N 2 1 392.544 0.642 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000178856194 1197196468 /nfs/dbraw/zinc/19/64/68/1197196468.db2.gz QZAXAGZOHDLCBE-UHFFFAOYSA-N 2 1 376.505 0.860 20 0 GCADMP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+]1CCOCC1 ZINC000192186612 1197245884 /nfs/dbraw/zinc/24/58/84/1197245884.db2.gz ZMKRNVWPNPWNNT-SFHVURJKSA-N 2 1 381.565 0.624 20 0 GCADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)C[NH+]1CCOCC1 ZINC000192186618 1197245887 /nfs/dbraw/zinc/24/58/87/1197245887.db2.gz ZMKRNVWPNPWNNT-GOSISDBHSA-N 2 1 381.565 0.624 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000987964839 1197285895 /nfs/dbraw/zinc/28/58/95/1197285895.db2.gz WRXAXAOHHGWDBN-XYVMCAHJSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000987964839 1197285898 /nfs/dbraw/zinc/28/58/98/1197285898.db2.gz WRXAXAOHHGWDBN-XYVMCAHJSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000453973936 1197292408 /nfs/dbraw/zinc/29/24/08/1197292408.db2.gz MRHSTWTWQHKGRE-OAHLLOKOSA-N 2 1 376.505 1.031 20 0 GCADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000453973936 1197292412 /nfs/dbraw/zinc/29/24/12/1197292412.db2.gz MRHSTWTWQHKGRE-OAHLLOKOSA-N 2 1 376.505 1.031 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000104363021 1197295535 /nfs/dbraw/zinc/29/55/35/1197295535.db2.gz IUNXAYSOOVVFJN-MRXNPFEDSA-N 2 1 388.516 0.748 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCCN2CC[NH+](CC)CC2)CC1=O ZINC000105319299 1197326426 /nfs/dbraw/zinc/32/64/26/1197326426.db2.gz ICXAGVSEVRSMDT-OALUTQOASA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000105319299 1197326429 /nfs/dbraw/zinc/32/64/29/1197326429.db2.gz ICXAGVSEVRSMDT-OALUTQOASA-N 2 1 393.576 0.463 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C[C@@H]3CCC[N@H+]3CC)C2)CC1 ZINC000105319299 1197326433 /nfs/dbraw/zinc/32/64/33/1197326433.db2.gz ICXAGVSEVRSMDT-OALUTQOASA-N 2 1 393.576 0.463 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000105322785 1197326495 /nfs/dbraw/zinc/32/64/95/1197326495.db2.gz DCVWCLIINIHSDQ-HZPDHXFCSA-N 2 1 376.505 0.716 20 0 GCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620304 1197355076 /nfs/dbraw/zinc/35/50/76/1197355076.db2.gz QCJNDSNEJCDZCB-OALUTQOASA-N 2 1 380.533 0.994 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418835500 1197361053 /nfs/dbraw/zinc/36/10/53/1197361053.db2.gz PVAXYBMUKXEOFY-UHFFFAOYSA-N 2 1 380.533 0.596 20 0 GCADMP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)cc1 ZINC000666670444 1197363267 /nfs/dbraw/zinc/36/32/67/1197363267.db2.gz VGRQYABFUMYMGV-GOSISDBHSA-N 2 1 390.484 0.676 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cncc(NS(C)(=O)=O)c2)CC1 ZINC000536602918 1197374753 /nfs/dbraw/zinc/37/47/53/1197374753.db2.gz GMEDXWPHTBFMLS-UHFFFAOYSA-N 2 1 390.469 0.852 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000897485065 1197393753 /nfs/dbraw/zinc/39/37/53/1197393753.db2.gz BYIJQJCDTFANSG-MRXNPFEDSA-N 2 1 377.489 0.203 20 0 GCADMP CC(C[NH+]1CC[C@@H](CN2CCOCC2)C1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000532973460 1197424716 /nfs/dbraw/zinc/42/47/16/1197424716.db2.gz DMBYRGPANFGQMX-VXKWHMMOSA-N 2 1 394.604 0.931 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)CC1=O ZINC000245756682 1197430103 /nfs/dbraw/zinc/43/01/03/1197430103.db2.gz YMTAZPMVCNMMPW-IPMKNSEASA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CC1=O ZINC000245756682 1197430105 /nfs/dbraw/zinc/43/01/05/1197430105.db2.gz YMTAZPMVCNMMPW-IPMKNSEASA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)CC1=O ZINC000245756682 1197430107 /nfs/dbraw/zinc/43/01/07/1197430107.db2.gz YMTAZPMVCNMMPW-IPMKNSEASA-N 2 1 394.560 0.672 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000246326659 1197463914 /nfs/dbraw/zinc/46/39/14/1197463914.db2.gz AQFQERTVXCFOLT-FUHWJXTLSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000246383347 1197466577 /nfs/dbraw/zinc/46/65/77/1197466577.db2.gz HSPSMMRGIPTXBW-OKZBNKHCSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)N2CC[NH+](C)CC2)CC1=O ZINC000246383375 1197466585 /nfs/dbraw/zinc/46/65/85/1197466585.db2.gz HSPSMMRGIPTXBW-RCCFBDPRSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069028766 1197468668 /nfs/dbraw/zinc/46/86/68/1197468668.db2.gz HJFCCKOSWOCIJB-LBPRGKRZSA-N 2 1 380.411 0.807 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681509 1197473296 /nfs/dbraw/zinc/47/32/96/1197473296.db2.gz HEZABBMBYWVDSA-QRVBRYPASA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000246769577 1197473903 /nfs/dbraw/zinc/47/39/03/1197473903.db2.gz PHWAUFQHDYKJHC-CEXWTWQISA-N 2 1 392.544 0.500 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000247102917 1197474999 /nfs/dbraw/zinc/47/49/99/1197474999.db2.gz VCYVCVSNZXEKMT-IRXDYDNUSA-N 2 1 380.533 0.234 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000247102917 1197475001 /nfs/dbraw/zinc/47/50/01/1197475001.db2.gz VCYVCVSNZXEKMT-IRXDYDNUSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000248912347 1197480653 /nfs/dbraw/zinc/48/06/53/1197480653.db2.gz VOHVJPNQVLJZBW-YFVAEKQCSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000248912347 1197480654 /nfs/dbraw/zinc/48/06/54/1197480654.db2.gz VOHVJPNQVLJZBW-YFVAEKQCSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC000988749896 1197501502 /nfs/dbraw/zinc/50/15/02/1197501502.db2.gz KBTXHSINYBASBE-ZJPYXAASSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000988749896 1197501505 /nfs/dbraw/zinc/50/15/05/1197501505.db2.gz KBTXHSINYBASBE-ZJPYXAASSA-N 2 1 392.544 0.687 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000666796261 1197504434 /nfs/dbraw/zinc/50/44/34/1197504434.db2.gz AYTGNFIELBWMBK-LJQANCHMSA-N 2 1 385.512 0.509 20 0 GCADMP C[C@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000261696616 1197511966 /nfs/dbraw/zinc/51/19/66/1197511966.db2.gz HVPYOTFGVKPNSA-LJQANCHMSA-N 2 1 394.541 0.331 20 0 GCADMP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000261696616 1197511971 /nfs/dbraw/zinc/51/19/71/1197511971.db2.gz HVPYOTFGVKPNSA-LJQANCHMSA-N 2 1 394.541 0.331 20 0 GCADMP O=C(NCCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[C@H]1CCC[NH2+]1 ZINC000261763354 1197514114 /nfs/dbraw/zinc/51/41/14/1197514114.db2.gz MORZURDEBGXWKH-QGZVFWFLSA-N 2 1 385.468 0.980 20 0 GCADMP O=C(NC[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261772719 1197514255 /nfs/dbraw/zinc/51/42/55/1197514255.db2.gz GUPGYPCRZVSGEV-SJLPKXTDSA-N 2 1 394.541 0.545 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261772719 1197514261 /nfs/dbraw/zinc/51/42/61/1197514261.db2.gz GUPGYPCRZVSGEV-SJLPKXTDSA-N 2 1 394.541 0.545 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000261774343 1197514303 /nfs/dbraw/zinc/51/43/03/1197514303.db2.gz MOLACAVMEBRGAK-SFHVURJKSA-N 2 1 380.514 0.190 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000261774343 1197514305 /nfs/dbraw/zinc/51/43/05/1197514305.db2.gz MOLACAVMEBRGAK-SFHVURJKSA-N 2 1 380.514 0.190 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261786963 1197514650 /nfs/dbraw/zinc/51/46/50/1197514650.db2.gz HVDWRQGYGPANFD-GVDBMIGSSA-N 2 1 390.532 0.944 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261786963 1197514653 /nfs/dbraw/zinc/51/46/53/1197514653.db2.gz HVDWRQGYGPANFD-GVDBMIGSSA-N 2 1 390.532 0.944 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261794581 1197515105 /nfs/dbraw/zinc/51/51/05/1197515105.db2.gz IKCAJBBYOKWLCC-HOTGVXAUSA-N 2 1 391.516 0.431 20 0 GCADMP CS(=O)(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000261820260 1197515944 /nfs/dbraw/zinc/51/59/44/1197515944.db2.gz KHDAKGPLMDOVSB-BBWFWOEESA-N 2 1 386.562 0.238 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261885853 1197517475 /nfs/dbraw/zinc/51/74/75/1197517475.db2.gz PTZGANIZRDERRC-HRCADAONSA-N 2 1 381.521 0.437 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261884598 1197517499 /nfs/dbraw/zinc/51/74/99/1197517499.db2.gz PRUJTZRTPLBWPV-IHRRRGAJSA-N 2 1 376.423 0.730 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261884598 1197517503 /nfs/dbraw/zinc/51/75/03/1197517503.db2.gz PRUJTZRTPLBWPV-IHRRRGAJSA-N 2 1 376.423 0.730 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892600 1197518002 /nfs/dbraw/zinc/51/80/02/1197518002.db2.gz QUDVVVSZCRXICZ-MJGOQNOKSA-N 2 1 388.512 0.762 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892600 1197518004 /nfs/dbraw/zinc/51/80/04/1197518004.db2.gz QUDVVVSZCRXICZ-MJGOQNOKSA-N 2 1 388.512 0.762 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892593 1197518090 /nfs/dbraw/zinc/51/80/90/1197518090.db2.gz QUDVVVSZCRXICZ-HKUYNNGSSA-N 2 1 388.512 0.762 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NCCOc1ccccc1 ZINC000261892593 1197518093 /nfs/dbraw/zinc/51/80/93/1197518093.db2.gz QUDVVVSZCRXICZ-HKUYNNGSSA-N 2 1 388.512 0.762 20 0 GCADMP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261928369 1197519041 /nfs/dbraw/zinc/51/90/41/1197519041.db2.gz VWYUXHBWTQEUNF-FUHWJXTLSA-N 2 1 388.512 0.892 20 0 GCADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261928369 1197519044 /nfs/dbraw/zinc/51/90/44/1197519044.db2.gz VWYUXHBWTQEUNF-FUHWJXTLSA-N 2 1 388.512 0.892 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(=O)N2CCNCC2)CC1 ZINC000262005072 1197522280 /nfs/dbraw/zinc/52/22/80/1197522280.db2.gz DYHXXRKFFKSRES-UHFFFAOYSA-N 2 1 381.565 0.224 20 0 GCADMP CS(=O)(=O)C1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000262022646 1197522879 /nfs/dbraw/zinc/52/28/79/1197522879.db2.gz ANPWQLJFZSNOQV-UHFFFAOYSA-N 2 1 379.526 0.934 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NCCCCn3cc[nH+]c3C)C2)CC1 ZINC000508717953 1197558036 /nfs/dbraw/zinc/55/80/36/1197558036.db2.gz MTKDZBXAJZJNAN-GOSISDBHSA-N 2 1 390.532 0.326 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008849 1199000656 /nfs/dbraw/zinc/00/06/56/1199000656.db2.gz CGLIMVBVQUZOHH-VXNCWWDNSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012287 1199003607 /nfs/dbraw/zinc/00/36/07/1199003607.db2.gz PLHHBPSXTSJGCU-HZPDHXFCSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000672012286 1199003907 /nfs/dbraw/zinc/00/39/07/1199003907.db2.gz PLHHBPSXTSJGCU-CVEARBPZSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010332 1199004521 /nfs/dbraw/zinc/00/45/21/1199004521.db2.gz NJBMEYAYBZHBNB-IEBWSBKVSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCN(C(=O)COC)CC1 ZINC000465672328 1199016933 /nfs/dbraw/zinc/01/69/33/1199016933.db2.gz WESRZRLQUZOJFZ-SFHVURJKSA-N 2 1 397.564 0.681 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000108617401 1199060808 /nfs/dbraw/zinc/06/08/08/1199060808.db2.gz LOGVEQLEODDBOY-HXUWFJFHSA-N 2 1 399.539 0.973 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000626928471 1199080156 /nfs/dbraw/zinc/08/01/56/1199080156.db2.gz UMLQLHXHWIBEGS-IJEWVQPXSA-N 2 1 379.509 0.500 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000626928471 1199080162 /nfs/dbraw/zinc/08/01/62/1199080162.db2.gz UMLQLHXHWIBEGS-IJEWVQPXSA-N 2 1 379.509 0.500 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672098391 1199089484 /nfs/dbraw/zinc/08/94/84/1199089484.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098391 1199089489 /nfs/dbraw/zinc/08/94/89/1199089489.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672098391 1199089493 /nfs/dbraw/zinc/08/94/93/1199089493.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672098391 1199089502 /nfs/dbraw/zinc/08/95/02/1199089502.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@H](C)[NH+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672098391 1199089510 /nfs/dbraw/zinc/08/95/10/1199089510.db2.gz SAAYQESKPLMSLX-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000672111196 1199110666 /nfs/dbraw/zinc/11/06/66/1199110666.db2.gz CNAJVCGGTCRVNC-IRXDYDNUSA-N 2 1 395.548 0.036 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000465894865 1199156701 /nfs/dbraw/zinc/15/67/01/1199156701.db2.gz BMTZAJDZMWOKRN-OALUTQOASA-N 3 1 382.597 0.680 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000465894865 1199156703 /nfs/dbraw/zinc/15/67/03/1199156703.db2.gz BMTZAJDZMWOKRN-OALUTQOASA-N 2 1 382.597 0.680 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000465894865 1199156705 /nfs/dbraw/zinc/15/67/05/1199156705.db2.gz BMTZAJDZMWOKRN-OALUTQOASA-N 2 1 382.597 0.680 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000465894866 1199156767 /nfs/dbraw/zinc/15/67/67/1199156767.db2.gz BMTZAJDZMWOKRN-RBUKOAKNSA-N 3 1 382.597 0.680 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000465894866 1199156769 /nfs/dbraw/zinc/15/67/69/1199156769.db2.gz BMTZAJDZMWOKRN-RBUKOAKNSA-N 2 1 382.597 0.680 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC000465894866 1199156770 /nfs/dbraw/zinc/15/67/70/1199156770.db2.gz BMTZAJDZMWOKRN-RBUKOAKNSA-N 2 1 382.597 0.680 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000465899040 1199158549 /nfs/dbraw/zinc/15/85/49/1199158549.db2.gz YPBYALCVZZSOOL-KRWDZBQOSA-N 2 1 383.537 0.291 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672204346 1199159468 /nfs/dbraw/zinc/15/94/68/1199159468.db2.gz LPDQRVYMKYARFI-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672204346 1199159482 /nfs/dbraw/zinc/15/94/82/1199159482.db2.gz LPDQRVYMKYARFI-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672204346 1199159486 /nfs/dbraw/zinc/15/94/86/1199159486.db2.gz LPDQRVYMKYARFI-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656326731 1199173394 /nfs/dbraw/zinc/17/33/94/1199173394.db2.gz CLLAKDVOTIURTF-MKXGPGLRSA-N 2 1 392.544 0.614 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000672305859 1199198475 /nfs/dbraw/zinc/19/84/75/1199198475.db2.gz GVRLJHULCMYCCF-SFHVURJKSA-N 2 1 392.544 0.690 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000672308675 1199199442 /nfs/dbraw/zinc/19/94/42/1199199442.db2.gz XPFNPZNTOSNJTL-KRWDZBQOSA-N 2 1 380.533 0.404 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672308675 1199199449 /nfs/dbraw/zinc/19/94/49/1199199449.db2.gz XPFNPZNTOSNJTL-KRWDZBQOSA-N 2 1 380.533 0.404 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672309606 1199201797 /nfs/dbraw/zinc/20/17/97/1199201797.db2.gz ZESZWVLIXPQECC-SFHVURJKSA-N 2 1 378.517 0.158 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672310566 1199202555 /nfs/dbraw/zinc/20/25/55/1199202555.db2.gz ZHVTYUQJTYUYEK-INIZCTEOSA-N 2 1 380.533 0.593 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@@H]21 ZINC000672313595 1199204216 /nfs/dbraw/zinc/20/42/16/1199204216.db2.gz GHQXHIQMNDRDFU-MSOLQXFVSA-N 2 1 392.544 0.690 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C1CCCC1 ZINC000672330366 1199210016 /nfs/dbraw/zinc/21/00/16/1199210016.db2.gz WFNJWYHTYRMGCJ-SFHVURJKSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCCC1 ZINC000672330366 1199210022 /nfs/dbraw/zinc/21/00/22/1199210022.db2.gz WFNJWYHTYRMGCJ-SFHVURJKSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCCC1 ZINC000672330366 1199210028 /nfs/dbraw/zinc/21/00/28/1199210028.db2.gz WFNJWYHTYRMGCJ-SFHVURJKSA-N 2 1 379.549 0.215 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465951151 1199217655 /nfs/dbraw/zinc/21/76/55/1199217655.db2.gz NIKNCPYOOBQONC-INIZCTEOSA-N 2 1 383.537 0.062 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465951151 1199217657 /nfs/dbraw/zinc/21/76/57/1199217657.db2.gz NIKNCPYOOBQONC-INIZCTEOSA-N 2 1 383.537 0.062 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465951151 1199217662 /nfs/dbraw/zinc/21/76/62/1199217662.db2.gz NIKNCPYOOBQONC-INIZCTEOSA-N 2 1 383.537 0.062 20 0 GCADMP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000672608326 1199281233 /nfs/dbraw/zinc/28/12/33/1199281233.db2.gz MBEBWICDWFUJLI-NVXWUHKLSA-N 2 1 390.532 0.926 20 0 GCADMP CC(C)n1cc([C@@H](C)NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000672608328 1199281419 /nfs/dbraw/zinc/28/14/19/1199281419.db2.gz MBEBWICDWFUJLI-WBVHZDCISA-N 2 1 390.532 0.926 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295864 /nfs/dbraw/zinc/29/58/64/1199295864.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295867 /nfs/dbraw/zinc/29/58/67/1199295867.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[NH+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295872 /nfs/dbraw/zinc/29/58/72/1199295872.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@H+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295877 /nfs/dbraw/zinc/29/58/77/1199295877.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@H]43)C2)CC1 ZINC000672640263 1199295882 /nfs/dbraw/zinc/29/58/82/1199295882.db2.gz UZECEMJDZHUADM-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640212 1199296850 /nfs/dbraw/zinc/29/68/50/1199296850.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640212 1199296854 /nfs/dbraw/zinc/29/68/54/1199296854.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640212 1199296860 /nfs/dbraw/zinc/29/68/60/1199296860.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672640212 1199296864 /nfs/dbraw/zinc/29/68/64/1199296864.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672640212 1199296871 /nfs/dbraw/zinc/29/68/71/1199296871.db2.gz XHBDRGUPXDJMGT-ZWKOTPCHSA-N 2 1 393.576 0.461 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642268 1199300161 /nfs/dbraw/zinc/30/01/61/1199300161.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672642268 1199300166 /nfs/dbraw/zinc/30/01/66/1199300166.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672642268 1199300169 /nfs/dbraw/zinc/30/01/69/1199300169.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642268 1199300175 /nfs/dbraw/zinc/30/01/75/1199300175.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642268 1199300182 /nfs/dbraw/zinc/30/01/82/1199300182.db2.gz DDJSIDIKGQKNGD-KRWDZBQOSA-N 2 1 379.549 0.214 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303859 /nfs/dbraw/zinc/30/38/59/1199303859.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303861 /nfs/dbraw/zinc/30/38/61/1199303861.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303864 /nfs/dbraw/zinc/30/38/64/1199303864.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303867 /nfs/dbraw/zinc/30/38/67/1199303867.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643397 1199303870 /nfs/dbraw/zinc/30/38/70/1199303870.db2.gz XAWGBVBPZDDKNR-SJLPKXTDSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642908 1199305673 /nfs/dbraw/zinc/30/56/73/1199305673.db2.gz JQTXBLXWQKMAIE-ROUUACIJSA-N 2 1 393.576 0.652 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000672642908 1199305679 /nfs/dbraw/zinc/30/56/79/1199305679.db2.gz JQTXBLXWQKMAIE-ROUUACIJSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672695614 1199315010 /nfs/dbraw/zinc/31/50/10/1199315010.db2.gz NGVFRSDJJJARHY-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000672694809 1199316122 /nfs/dbraw/zinc/31/61/22/1199316122.db2.gz CMDCPORUWMILQN-SJORKVTESA-N 2 1 380.533 0.689 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000672697910 1199318536 /nfs/dbraw/zinc/31/85/36/1199318536.db2.gz CMDCPORUWMILQN-IRXDYDNUSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000265807905 1199324307 /nfs/dbraw/zinc/32/43/07/1199324307.db2.gz KXZQQYQLMYLDPI-MRXNPFEDSA-N 2 1 375.517 0.686 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672856061 1199349498 /nfs/dbraw/zinc/34/94/98/1199349498.db2.gz LHNHJEJYADXVKN-JQHSSLGASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672856061 1199349501 /nfs/dbraw/zinc/34/95/01/1199349501.db2.gz LHNHJEJYADXVKN-JQHSSLGASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672856061 1199349508 /nfs/dbraw/zinc/34/95/08/1199349508.db2.gz LHNHJEJYADXVKN-JQHSSLGASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672856061 1199349511 /nfs/dbraw/zinc/34/95/11/1199349511.db2.gz LHNHJEJYADXVKN-JQHSSLGASA-N 2 1 380.533 0.735 20 0 GCADMP CN1Cc2ccccc2[C@@H](NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000672854549 1199352005 /nfs/dbraw/zinc/35/20/05/1199352005.db2.gz QISANEJBKMUVIZ-SFHVURJKSA-N 2 1 387.528 0.432 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC2CC[NH+](C)CC2)CC[N@H+]1C ZINC001003141023 1199427624 /nfs/dbraw/zinc/42/76/24/1199427624.db2.gz VKUUAYMEZRECES-YRGVVPAESA-N 2 1 392.544 0.686 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)C1 ZINC001003193717 1199450103 /nfs/dbraw/zinc/45/01/03/1199450103.db2.gz NFLZKDODHHMXTC-NCOADZHNSA-N 2 1 378.517 0.440 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)C1 ZINC001003193717 1199450108 /nfs/dbraw/zinc/45/01/08/1199450108.db2.gz NFLZKDODHHMXTC-NCOADZHNSA-N 2 1 378.517 0.440 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000079167736 1199484777 /nfs/dbraw/zinc/48/47/77/1199484777.db2.gz VCJJYHDFMUDXLG-UHFFFAOYSA-N 2 1 381.565 0.766 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224374 1199488244 /nfs/dbraw/zinc/48/82/44/1199488244.db2.gz KUIOLHBKOVWEEO-DLBZAZTESA-N 2 1 381.565 0.317 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)C ZINC000673269936 1199513113 /nfs/dbraw/zinc/51/31/13/1199513113.db2.gz VBZIRTXCKXGTLI-LJQANCHMSA-N 2 1 395.592 0.850 20 0 GCADMP CC1([NH+]2CCC2)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000922174713 1199532880 /nfs/dbraw/zinc/53/28/80/1199532880.db2.gz CLWVLABYLCLHJS-SFHVURJKSA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000627349306 1199535891 /nfs/dbraw/zinc/53/58/91/1199535891.db2.gz JFNYZSDYQCSWBY-NRWUCQMLSA-N 2 1 376.423 0.714 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)CCCO1 ZINC000673426409 1199629633 /nfs/dbraw/zinc/62/96/33/1199629633.db2.gz YEBZXIKKMVOFON-KRWDZBQOSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427680 1199629984 /nfs/dbraw/zinc/62/99/84/1199629984.db2.gz IQMFMVCNDQNVPW-QZTJIDSGSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C2CCC2)O1 ZINC001003707742 1199642457 /nfs/dbraw/zinc/64/24/57/1199642457.db2.gz JDNFRXRBFVPBIN-FXXCCUJSSA-N 2 1 378.517 0.438 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C2CCC2)O1 ZINC001003707742 1199642458 /nfs/dbraw/zinc/64/24/58/1199642458.db2.gz JDNFRXRBFVPBIN-FXXCCUJSSA-N 2 1 378.517 0.438 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+](C)C2CCC2)O1 ZINC001003707742 1199642461 /nfs/dbraw/zinc/64/24/61/1199642461.db2.gz JDNFRXRBFVPBIN-FXXCCUJSSA-N 2 1 378.517 0.438 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)O1 ZINC001003707742 1199642464 /nfs/dbraw/zinc/64/24/64/1199642464.db2.gz JDNFRXRBFVPBIN-FXXCCUJSSA-N 2 1 378.517 0.438 20 0 GCADMP CO[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543328405 1199658131 /nfs/dbraw/zinc/65/81/31/1199658131.db2.gz IOVSVVPZIVHVAT-HSFUPAIVSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446530 1199664771 /nfs/dbraw/zinc/66/47/71/1199664771.db2.gz CSWHPQLQJDPPCX-HOTGVXAUSA-N 2 1 382.574 0.921 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446530 1199664776 /nfs/dbraw/zinc/66/47/76/1199664776.db2.gz CSWHPQLQJDPPCX-HOTGVXAUSA-N 2 1 382.574 0.921 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550175 1199781209 /nfs/dbraw/zinc/78/12/09/1199781209.db2.gz PTQSRXOEEOBVCC-IEBWSBKVSA-N 2 1 382.549 0.792 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550174 1199781677 /nfs/dbraw/zinc/78/16/77/1199781677.db2.gz PTQSRXOEEOBVCC-HKUYNNGSSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)COCC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000153988305 1199782748 /nfs/dbraw/zinc/78/27/48/1199782748.db2.gz FPFFRWQSSRZXJN-QZTJIDSGSA-N 2 1 382.549 0.600 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584252 1199830257 /nfs/dbraw/zinc/83/02/57/1199830257.db2.gz ICTMWJSFCLFHME-ZWKOTPCHSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000673586371 1199831846 /nfs/dbraw/zinc/83/18/46/1199831846.db2.gz WPMHDUMDNSBHQJ-FCLVOEFKSA-N 2 1 392.544 0.469 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004400911 1199875301 /nfs/dbraw/zinc/87/53/01/1199875301.db2.gz SYMAGUWGAMRJGH-WCXIOVBPSA-N 2 1 376.501 0.051 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004400911 1199875304 /nfs/dbraw/zinc/87/53/04/1199875304.db2.gz SYMAGUWGAMRJGH-WCXIOVBPSA-N 2 1 376.501 0.051 20 0 GCADMP CN(C)c1cc[nH+]c(CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)c1 ZINC000922839727 1199881556 /nfs/dbraw/zinc/88/15/56/1199881556.db2.gz QJADTRZIDDEPJH-UHFFFAOYSA-N 2 1 377.489 0.828 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625028854 1199891599 /nfs/dbraw/zinc/89/15/99/1199891599.db2.gz ZJQBOJQJBKTUMP-INIZCTEOSA-N 2 1 397.545 0.941 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625028854 1199891603 /nfs/dbraw/zinc/89/16/03/1199891603.db2.gz ZJQBOJQJBKTUMP-INIZCTEOSA-N 2 1 397.545 0.941 20 0 GCADMP CN1C(=O)C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000282412121 1199903054 /nfs/dbraw/zinc/90/30/54/1199903054.db2.gz GCHBXVHMJCCRQP-APWZRJJASA-N 2 1 380.439 0.990 20 0 GCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CN2CC[NH+](C)CC2)CC1 ZINC000673669567 1199925948 /nfs/dbraw/zinc/92/59/48/1199925948.db2.gz NBXVNNHYGLPZSW-UHFFFAOYSA-N 2 1 381.565 0.321 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674329427 1200224208 /nfs/dbraw/zinc/22/42/08/1200224208.db2.gz ZRDVATGJMDAOIZ-UHFFFAOYSA-N 2 1 383.537 0.387 20 0 GCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001005339481 1200260280 /nfs/dbraw/zinc/26/02/80/1200260280.db2.gz UNGBNTQYLSXBIW-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC001005339481 1200260285 /nfs/dbraw/zinc/26/02/85/1200260285.db2.gz UNGBNTQYLSXBIW-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000670484043 1200322998 /nfs/dbraw/zinc/32/29/98/1200322998.db2.gz DWDUISXUWQXXSO-LPHOPBHVSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000670484043 1200323005 /nfs/dbraw/zinc/32/30/05/1200323005.db2.gz DWDUISXUWQXXSO-LPHOPBHVSA-N 2 1 388.512 0.603 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCCCOC)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129003809 1200408981 /nfs/dbraw/zinc/40/89/81/1200408981.db2.gz HZHYRLFOZGBQFC-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCCCOC)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129003809 1200408987 /nfs/dbraw/zinc/40/89/87/1200408987.db2.gz HZHYRLFOZGBQFC-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCCCOC)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129003809 1200408995 /nfs/dbraw/zinc/40/89/95/1200408995.db2.gz HZHYRLFOZGBQFC-MLHJIOFPSA-N 2 1 378.521 0.777 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000246491711 1200409247 /nfs/dbraw/zinc/40/92/47/1200409247.db2.gz SMNGZJYWSWPSRF-OTWHNJEPSA-N 2 1 394.560 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000246491711 1200409250 /nfs/dbraw/zinc/40/92/50/1200409250.db2.gz SMNGZJYWSWPSRF-OTWHNJEPSA-N 2 1 394.560 0.792 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000675536161 1200427360 /nfs/dbraw/zinc/42/73/60/1200427360.db2.gz HEKFJCYYGATMCH-QGZVFWFLSA-N 3 1 381.565 0.689 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000675536161 1200427365 /nfs/dbraw/zinc/42/73/65/1200427365.db2.gz HEKFJCYYGATMCH-QGZVFWFLSA-N 2 1 381.565 0.689 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)O1 ZINC001129064967 1200459383 /nfs/dbraw/zinc/45/93/83/1200459383.db2.gz OVODVIPLQQOZOG-WCXIOVBPSA-N 2 1 382.484 0.479 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[NH+](CCCCCF)C[C@@H]2n2ccnn2)O1 ZINC001129064967 1200459385 /nfs/dbraw/zinc/45/93/85/1200459385.db2.gz OVODVIPLQQOZOG-WCXIOVBPSA-N 2 1 382.484 0.479 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@H+](CCCCCF)C[C@@H]2n2ccnn2)O1 ZINC001129064967 1200459396 /nfs/dbraw/zinc/45/93/96/1200459396.db2.gz OVODVIPLQQOZOG-WCXIOVBPSA-N 2 1 382.484 0.479 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[N@@H+](CCCCCF)C[C@@H]2n2ccnn2)O1 ZINC001129064967 1200459401 /nfs/dbraw/zinc/45/94/01/1200459401.db2.gz OVODVIPLQQOZOG-WCXIOVBPSA-N 2 1 382.484 0.479 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047695 1200480565 /nfs/dbraw/zinc/48/05/65/1200480565.db2.gz UDSDKTCVXOANMZ-IHPCNDPISA-N 3 1 393.576 0.832 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)C2)CC1 ZINC000676047695 1200480570 /nfs/dbraw/zinc/48/05/70/1200480570.db2.gz UDSDKTCVXOANMZ-IHPCNDPISA-N 3 1 393.576 0.832 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676169271 1200504901 /nfs/dbraw/zinc/50/49/01/1200504901.db2.gz VWAPCFMQQLFAHK-GUDVDZBRSA-N 2 1 380.533 0.870 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000477026754 1200779346 /nfs/dbraw/zinc/77/93/46/1200779346.db2.gz IVWHYCUVMOHZGE-KRWDZBQOSA-N 2 1 390.528 0.982 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)N(C)CCOCC[NH3+])cc2)CC1 ZINC000625866805 1200829460 /nfs/dbraw/zinc/82/94/60/1200829460.db2.gz YPYSQPJHFQQLPJ-UHFFFAOYSA-N 2 1 391.516 0.832 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000377090648 1200898651 /nfs/dbraw/zinc/89/86/51/1200898651.db2.gz BRPXIQJXZLBXNR-INIZCTEOSA-N 2 1 376.505 1.079 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427544926 1200903609 /nfs/dbraw/zinc/90/36/09/1200903609.db2.gz DKXNIJZFFYJRMM-DOTOQJQBSA-N 2 1 390.532 1.420 20 0 GCADMP C[N@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000923287146 1200927353 /nfs/dbraw/zinc/92/73/53/1200927353.db2.gz RRAXDRUMWBTRGK-KSZLIROESA-N 2 1 378.517 0.395 20 0 GCADMP C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000923287146 1200927355 /nfs/dbraw/zinc/92/73/55/1200927355.db2.gz RRAXDRUMWBTRGK-KSZLIROESA-N 2 1 378.517 0.395 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378185 1200973714 /nfs/dbraw/zinc/97/37/14/1200973714.db2.gz BZTPHHAFISQLMZ-UHOSZYNNSA-N 2 1 392.475 0.786 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3F)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000923378191 1200973802 /nfs/dbraw/zinc/97/38/02/1200973802.db2.gz RQGDFECESPFXPH-NXHRZFHOSA-N 2 1 392.475 0.786 20 0 GCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000923485545 1201040960 /nfs/dbraw/zinc/04/09/60/1201040960.db2.gz VKJHRMIGSPNZQU-OAHLLOKOSA-N 2 1 398.504 0.329 20 0 GCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000923488951 1201043395 /nfs/dbraw/zinc/04/33/95/1201043395.db2.gz CGFNCCCSQPAWCS-MRXNPFEDSA-N 2 1 380.514 0.190 20 0 GCADMP [NH3+]CC[C@@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000923489528 1201044739 /nfs/dbraw/zinc/04/47/39/1201044739.db2.gz YKPOVAHSXPOUTM-MRXNPFEDSA-N 2 1 383.514 0.757 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000136815494 1201188144 /nfs/dbraw/zinc/18/81/44/1201188144.db2.gz XWEQUXAPVXYJII-HXUWFJFHSA-N 2 1 399.539 0.993 20 0 GCADMP CC(C)OCCCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001691676499 1201252626 /nfs/dbraw/zinc/25/26/26/1201252626.db2.gz USTFPVIBRCNZAO-TVFCKZIOSA-N 2 1 382.549 0.837 20 0 GCADMP CC(C)OCCCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001691676499 1201252633 /nfs/dbraw/zinc/25/26/33/1201252633.db2.gz USTFPVIBRCNZAO-TVFCKZIOSA-N 2 1 382.549 0.837 20 0 GCADMP CC(C)OCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@H]1C ZINC001691676499 1201252636 /nfs/dbraw/zinc/25/26/36/1201252636.db2.gz USTFPVIBRCNZAO-TVFCKZIOSA-N 2 1 382.549 0.837 20 0 GCADMP CC(C)OCCCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001691676499 1201252639 /nfs/dbraw/zinc/25/26/39/1201252639.db2.gz USTFPVIBRCNZAO-TVFCKZIOSA-N 2 1 382.549 0.837 20 0 GCADMP C[C@@H]1C[N@@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079724773 1201255113 /nfs/dbraw/zinc/25/51/13/1201255113.db2.gz CTXDMGQJHUZNCK-KLHDSHLOSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1C[NH+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079724773 1201255117 /nfs/dbraw/zinc/25/51/17/1201255117.db2.gz CTXDMGQJHUZNCK-KLHDSHLOSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1C[NH+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079724773 1201255118 /nfs/dbraw/zinc/25/51/18/1201255118.db2.gz CTXDMGQJHUZNCK-KLHDSHLOSA-N 2 1 393.532 0.484 20 0 GCADMP CO[C@@H]1C[N@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847986 1201305488 /nfs/dbraw/zinc/30/54/88/1201305488.db2.gz FOXUGXBOIDWSTC-NXWXRZEISA-N 2 1 383.533 0.728 20 0 GCADMP CO[C@@H]1C[N@@H+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001081847986 1201305491 /nfs/dbraw/zinc/30/54/91/1201305491.db2.gz FOXUGXBOIDWSTC-NXWXRZEISA-N 2 1 383.533 0.728 20 0 GCADMP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001081847986 1201305494 /nfs/dbraw/zinc/30/54/94/1201305494.db2.gz FOXUGXBOIDWSTC-NXWXRZEISA-N 2 1 383.533 0.728 20 0 GCADMP CO[C@@H]1C[NH+](CCCC2CCOCC2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001081847986 1201305497 /nfs/dbraw/zinc/30/54/97/1201305497.db2.gz FOXUGXBOIDWSTC-NXWXRZEISA-N 2 1 383.533 0.728 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ncnn1C ZINC001082518267 1201336518 /nfs/dbraw/zinc/33/65/18/1201336518.db2.gz HNEBFERHGJGOQA-MYZZLAAOSA-N 2 1 390.532 0.499 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nncn1C ZINC001082518486 1201336677 /nfs/dbraw/zinc/33/66/77/1201336677.db2.gz QSEYULDSGPNUOX-MYZZLAAOSA-N 2 1 390.532 0.499 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC001082590131 1201338844 /nfs/dbraw/zinc/33/88/44/1201338844.db2.gz FBXNUETZMUDCRZ-TWKYDXJASA-N 2 1 379.476 0.974 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC001082590131 1201338852 /nfs/dbraw/zinc/33/88/52/1201338852.db2.gz FBXNUETZMUDCRZ-TWKYDXJASA-N 2 1 379.476 0.974 20 0 GCADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)c1 ZINC001082591037 1201339832 /nfs/dbraw/zinc/33/98/32/1201339832.db2.gz ZCNYMCOBMAHPCV-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)c1 ZINC001082591037 1201339836 /nfs/dbraw/zinc/33/98/36/1201339836.db2.gz ZCNYMCOBMAHPCV-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513467 1201403808 /nfs/dbraw/zinc/40/38/08/1201403808.db2.gz ZPXIMOHDWURISN-FGDFAXGYSA-N 2 1 380.577 0.699 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2CCCS2(=O)=O)CC[N@H+]1C ZINC001085202105 1201633313 /nfs/dbraw/zinc/63/33/13/1201633313.db2.gz OAQGEBIXWNLMSN-QBPKDAKJSA-N 2 1 386.562 0.379 20 0 GCADMP COc1coc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)cc1=O ZINC001085242951 1201647757 /nfs/dbraw/zinc/64/77/57/1201647757.db2.gz OCJOQOLJGBRYOF-GFOCRRMGSA-N 2 1 393.484 0.885 20 0 GCADMP COc1coc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)cc1=O ZINC001085242951 1201647761 /nfs/dbraw/zinc/64/77/61/1201647761.db2.gz OCJOQOLJGBRYOF-GFOCRRMGSA-N 2 1 393.484 0.885 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734265580 1201648928 /nfs/dbraw/zinc/64/89/28/1201648928.db2.gz NRFGSDPAOCNCBS-QGZVFWFLSA-N 2 1 381.521 0.093 20 0 GCADMP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001006290855 1201817846 /nfs/dbraw/zinc/81/78/46/1201817846.db2.gz YFGADEQNQKZSBK-MLHJIOFPSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001006290855 1201817848 /nfs/dbraw/zinc/81/78/48/1201817848.db2.gz YFGADEQNQKZSBK-MLHJIOFPSA-N 2 1 378.517 0.299 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000743933971 1201830029 /nfs/dbraw/zinc/83/00/29/1201830029.db2.gz MROHBOSZKSRMRC-UHFFFAOYSA-N 2 1 391.516 0.461 20 0 GCADMP Cn1cc(C[C@@H]2CC(=O)N(C[NH+]3CCC(OCC[NH+](C)C)CC3)C2=O)cn1 ZINC000746381544 1201916606 /nfs/dbraw/zinc/91/66/06/1201916606.db2.gz WQYPEOYZFQJCSO-MRXNPFEDSA-N 2 1 377.489 0.338 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC001169197618 1201936142 /nfs/dbraw/zinc/93/61/42/1201936142.db2.gz WEWQVUXUZPFKPP-ARFHVFGLSA-N 2 1 390.532 0.922 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC001169197618 1201936144 /nfs/dbraw/zinc/93/61/44/1201936144.db2.gz WEWQVUXUZPFKPP-ARFHVFGLSA-N 2 1 390.532 0.922 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)CO1 ZINC001169389892 1201945111 /nfs/dbraw/zinc/94/51/11/1201945111.db2.gz UCVQSQVSMVVOLN-HKUYNNGSSA-N 2 1 391.512 0.921 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397477 1201945933 /nfs/dbraw/zinc/94/59/33/1201945933.db2.gz OBCXAMSTABSCTB-RSJGLCBASA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397477 1201945936 /nfs/dbraw/zinc/94/59/36/1201945936.db2.gz OBCXAMSTABSCTB-RSJGLCBASA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CO1 ZINC001169397477 1201945938 /nfs/dbraw/zinc/94/59/38/1201945938.db2.gz OBCXAMSTABSCTB-RSJGLCBASA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CO1 ZINC001169397477 1201945941 /nfs/dbraw/zinc/94/59/41/1201945941.db2.gz OBCXAMSTABSCTB-RSJGLCBASA-N 2 1 377.489 0.783 20 0 GCADMP CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001169467404 1201949157 /nfs/dbraw/zinc/94/91/57/1201949157.db2.gz MOJSFXOGFFBQOM-AWEZNQCLSA-N 2 1 379.505 0.971 20 0 GCADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001169467404 1201949160 /nfs/dbraw/zinc/94/91/60/1201949160.db2.gz MOJSFXOGFFBQOM-AWEZNQCLSA-N 2 1 379.505 0.971 20 0 GCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1 ZINC001109400679 1202038257 /nfs/dbraw/zinc/03/82/57/1202038257.db2.gz QGFULZCDGNBGTD-XWSJACJDSA-N 2 1 375.517 0.961 20 0 GCADMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCOCC1 ZINC001109400679 1202038258 /nfs/dbraw/zinc/03/82/58/1202038258.db2.gz QGFULZCDGNBGTD-XWSJACJDSA-N 2 1 375.517 0.961 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C2 ZINC001109419575 1202042016 /nfs/dbraw/zinc/04/20/16/1202042016.db2.gz WEYRGGKVHKLWLS-YRXWBPOGSA-N 2 1 380.533 0.735 20 0 GCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419575 1202042020 /nfs/dbraw/zinc/04/20/20/1202042020.db2.gz WEYRGGKVHKLWLS-YRXWBPOGSA-N 2 1 380.533 0.735 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001109419575 1202042023 /nfs/dbraw/zinc/04/20/23/1202042023.db2.gz WEYRGGKVHKLWLS-YRXWBPOGSA-N 2 1 380.533 0.735 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC1CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001109538528 1202075607 /nfs/dbraw/zinc/07/56/07/1202075607.db2.gz GURCOFWCQUNZNA-HYNWFPIWSA-N 2 1 375.513 0.998 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC1CC1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001109538528 1202075611 /nfs/dbraw/zinc/07/56/11/1202075611.db2.gz GURCOFWCQUNZNA-HYNWFPIWSA-N 2 1 375.513 0.998 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC1CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001109538527 1202075748 /nfs/dbraw/zinc/07/57/48/1202075748.db2.gz GURCOFWCQUNZNA-GXPFTLAFSA-N 2 1 375.513 0.998 20 0 GCADMP O=C(N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCC1CC1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001109538527 1202075749 /nfs/dbraw/zinc/07/57/49/1202075749.db2.gz GURCOFWCQUNZNA-GXPFTLAFSA-N 2 1 375.513 0.998 20 0 GCADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCN2CCNC2=O)CCCC1 ZINC001109565328 1202081298 /nfs/dbraw/zinc/08/12/98/1202081298.db2.gz KVLPWMBDVZULSH-IKGGRYGDSA-N 2 1 377.533 0.998 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651337 1202098559 /nfs/dbraw/zinc/09/85/59/1202098559.db2.gz VIDFFMGLIVJNRC-YVSFHVDLSA-N 2 1 380.533 0.591 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651337 1202098562 /nfs/dbraw/zinc/09/85/62/1202098562.db2.gz VIDFFMGLIVJNRC-YVSFHVDLSA-N 2 1 380.533 0.591 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669264 1202103141 /nfs/dbraw/zinc/10/31/41/1202103141.db2.gz VIJLHSGXIKIBIN-RANZSIQMSA-N 2 1 380.533 0.591 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669264 1202103144 /nfs/dbraw/zinc/10/31/44/1202103144.db2.gz VIJLHSGXIKIBIN-RANZSIQMSA-N 2 1 380.533 0.591 20 0 GCADMP Cc1cc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)n1 ZINC001109847691 1202135045 /nfs/dbraw/zinc/13/50/45/1202135045.db2.gz CJGGGZBWZABXBP-QYZOEREBSA-N 2 1 375.517 0.944 20 0 GCADMP Cc1cc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)n1 ZINC001109847691 1202135048 /nfs/dbraw/zinc/13/50/48/1202135048.db2.gz CJGGGZBWZABXBP-QYZOEREBSA-N 2 1 375.517 0.944 20 0 GCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109867102 1202140030 /nfs/dbraw/zinc/14/00/30/1202140030.db2.gz TZDFEJXIWBFVAL-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000771625431 1202152289 /nfs/dbraw/zinc/15/22/89/1202152289.db2.gz DRTZKSLVXJWJDS-AWEZNQCLSA-N 2 1 380.489 0.871 20 0 GCADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000771625431 1202152293 /nfs/dbraw/zinc/15/22/93/1202152293.db2.gz DRTZKSLVXJWJDS-AWEZNQCLSA-N 2 1 380.489 0.871 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(C(=O)NCCO)CC1)c1ccccc1 ZINC000771755841 1202157197 /nfs/dbraw/zinc/15/71/97/1202157197.db2.gz JAIXJJZGKGVQKN-SFHVURJKSA-N 2 1 376.501 0.226 20 0 GCADMP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000771766098 1202161981 /nfs/dbraw/zinc/16/19/81/1202161981.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766098 1202161983 /nfs/dbraw/zinc/16/19/83/1202161983.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000771766098 1202161985 /nfs/dbraw/zinc/16/19/85/1202161985.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766098 1202161986 /nfs/dbraw/zinc/16/19/86/1202161986.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 2 1 379.549 0.660 20 0 GCADMP CN(C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000771766098 1202161987 /nfs/dbraw/zinc/16/19/87/1202161987.db2.gz QIZGTJPNXMXJRI-FHWLQOOXSA-N 2 1 379.549 0.660 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NC[C@@H]1COCC[NH2+]1 ZINC001170034264 1202164747 /nfs/dbraw/zinc/16/47/47/1202164747.db2.gz ALUABNCTKOLLIJ-GOEBONIOSA-N 2 1 380.489 0.588 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NC[C@H]1COCC[NH2+]1 ZINC001170034267 1202164874 /nfs/dbraw/zinc/16/48/74/1202164874.db2.gz ALUABNCTKOLLIJ-HOCLYGCPSA-N 2 1 380.489 0.588 20 0 GCADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980746 1202166360 /nfs/dbraw/zinc/16/63/60/1202166360.db2.gz YVMQLTNPHVIJNC-RANZSIQMSA-N 2 1 380.533 0.733 20 0 GCADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980746 1202166364 /nfs/dbraw/zinc/16/63/64/1202166364.db2.gz YVMQLTNPHVIJNC-RANZSIQMSA-N 2 1 380.533 0.733 20 0 GCADMP CC(C)[N@H+](C)[C@H]1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001157001963 1202172734 /nfs/dbraw/zinc/17/27/34/1202172734.db2.gz RHJKPDBVPRIALS-INIZCTEOSA-N 2 1 391.520 0.464 20 0 GCADMP CC(C)[N@@H+](C)[C@H]1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)C1 ZINC001157001963 1202172736 /nfs/dbraw/zinc/17/27/36/1202172736.db2.gz RHJKPDBVPRIALS-INIZCTEOSA-N 2 1 391.520 0.464 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)CCO1 ZINC001110002359 1202173000 /nfs/dbraw/zinc/17/30/00/1202173000.db2.gz DFNSSOQXCVKFEV-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C3)CCO1 ZINC001110002359 1202173001 /nfs/dbraw/zinc/17/30/01/1202173001.db2.gz DFNSSOQXCVKFEV-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(F)cc1 ZINC000787633474 1205396246 /nfs/dbraw/zinc/39/62/46/1205396246.db2.gz BHJUUMNFEJEVSU-KZNAEPCWSA-N 2 1 392.475 0.524 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000787652316 1205397604 /nfs/dbraw/zinc/39/76/04/1205397604.db2.gz ILCKNDGIQKJHRY-OWCLPIDISA-N 2 1 380.514 0.446 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000787652316 1205397607 /nfs/dbraw/zinc/39/76/07/1205397607.db2.gz ILCKNDGIQKJHRY-OWCLPIDISA-N 2 1 380.514 0.446 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910212 1205407134 /nfs/dbraw/zinc/40/71/34/1205407134.db2.gz KLYOMSARAMLPHZ-RDGPPVDQSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787910212 1205407136 /nfs/dbraw/zinc/40/71/36/1205407136.db2.gz KLYOMSARAMLPHZ-RDGPPVDQSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787910212 1205407138 /nfs/dbraw/zinc/40/71/38/1205407138.db2.gz KLYOMSARAMLPHZ-RDGPPVDQSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787909846 1205407528 /nfs/dbraw/zinc/40/75/28/1205407528.db2.gz KLYOMSARAMLPHZ-FCGDIQPGSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787909846 1205407530 /nfs/dbraw/zinc/40/75/30/1205407530.db2.gz KLYOMSARAMLPHZ-FCGDIQPGSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787909846 1205407534 /nfs/dbraw/zinc/40/75/34/1205407534.db2.gz KLYOMSARAMLPHZ-FCGDIQPGSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787901137 1205409159 /nfs/dbraw/zinc/40/91/59/1205409159.db2.gz AINCGAXVCIHBPX-KZNAEPCWSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787901137 1205409160 /nfs/dbraw/zinc/40/91/60/1205409160.db2.gz AINCGAXVCIHBPX-KZNAEPCWSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787901137 1205409161 /nfs/dbraw/zinc/40/91/61/1205409161.db2.gz AINCGAXVCIHBPX-KZNAEPCWSA-N 2 1 380.533 0.737 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788566248 1205425624 /nfs/dbraw/zinc/42/56/24/1205425624.db2.gz ZMLAIOUCSANYAG-IAGOWNOFSA-N 2 1 382.468 0.935 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000788566248 1205425626 /nfs/dbraw/zinc/42/56/26/1205425626.db2.gz ZMLAIOUCSANYAG-IAGOWNOFSA-N 2 1 382.468 0.935 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000788796919 1205429449 /nfs/dbraw/zinc/42/94/49/1205429449.db2.gz JQOQUPZTJRAHLL-OAHLLOKOSA-N 2 1 382.468 0.792 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000788796919 1205429453 /nfs/dbraw/zinc/42/94/53/1205429453.db2.gz JQOQUPZTJRAHLL-OAHLLOKOSA-N 2 1 382.468 0.792 20 0 GCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNc2cc(C(=O)N3CC[NH+](C)CC3)ccn2)O1 ZINC001170271207 1205490278 /nfs/dbraw/zinc/49/02/78/1205490278.db2.gz VKOBNDWSYBNBGN-MDZRGWNJSA-N 2 1 377.489 0.606 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701013 1205504412 /nfs/dbraw/zinc/50/44/12/1205504412.db2.gz NNUWPQKBZKTRCT-IEBWSBKVSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701013 1205504414 /nfs/dbraw/zinc/50/44/14/1205504414.db2.gz NNUWPQKBZKTRCT-IEBWSBKVSA-N 2 1 393.576 0.604 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793802836 1205506355 /nfs/dbraw/zinc/50/63/55/1205506355.db2.gz ORXIANUHTUYHBB-SJORKVTESA-N 2 1 398.467 0.171 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793802836 1205506356 /nfs/dbraw/zinc/50/63/56/1205506356.db2.gz ORXIANUHTUYHBB-SJORKVTESA-N 2 1 398.467 0.171 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000793806355 1205506481 /nfs/dbraw/zinc/50/64/81/1205506481.db2.gz MDCFBLSXTQEHBC-AWEZNQCLSA-N 2 1 382.468 0.959 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000793806355 1205506482 /nfs/dbraw/zinc/50/64/82/1205506482.db2.gz MDCFBLSXTQEHBC-AWEZNQCLSA-N 2 1 382.468 0.959 20 0 GCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)([NH+](C)C)C1 ZINC000793815134 1205507421 /nfs/dbraw/zinc/50/74/21/1205507421.db2.gz WFQUWFTYPCCJCG-VIPLHTEESA-N 2 1 380.533 0.593 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)c1 ZINC000793872025 1205508407 /nfs/dbraw/zinc/50/84/07/1205508407.db2.gz WRDMURGCGTUVHR-RBUKOAKNSA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000793872025 1205508408 /nfs/dbraw/zinc/50/84/08/1205508408.db2.gz WRDMURGCGTUVHR-RBUKOAKNSA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000793872025 1205508409 /nfs/dbraw/zinc/50/84/09/1205508409.db2.gz WRDMURGCGTUVHR-RBUKOAKNSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001129912705 1205522868 /nfs/dbraw/zinc/52/28/68/1205522868.db2.gz WQWJLQKAHWQDNN-OQIJWPOYSA-N 2 1 390.532 0.919 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)[C@@H](n3ccnn3)C2)O1 ZINC001129912705 1205522869 /nfs/dbraw/zinc/52/28/69/1205522869.db2.gz WQWJLQKAHWQDNN-OQIJWPOYSA-N 2 1 390.532 0.919 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2nnc([C@H]3CCO[C@H]3C[NH2+]CCCF)[nH]2)CC[N@H+]1C ZINC001130213036 1205536879 /nfs/dbraw/zinc/53/68/79/1205536879.db2.gz QDTNBMCMESILMW-KBXIAJHMSA-N 2 1 382.484 0.583 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCCF)n[nH]2)CC[N@@H+]1C ZINC001130213036 1205536882 /nfs/dbraw/zinc/53/68/82/1205536882.db2.gz QDTNBMCMESILMW-KBXIAJHMSA-N 2 1 382.484 0.583 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CCO[C@H]3C[NH2+]CCCF)n[nH]2)CC[N@H+]1C ZINC001130213036 1205536884 /nfs/dbraw/zinc/53/68/84/1205536884.db2.gz QDTNBMCMESILMW-KBXIAJHMSA-N 2 1 382.484 0.583 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCCF)n2)CC[N@@H+]1C ZINC001130213036 1205536885 /nfs/dbraw/zinc/53/68/85/1205536885.db2.gz QDTNBMCMESILMW-KBXIAJHMSA-N 2 1 382.484 0.583 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CCO[C@H]3C[NH2+]CCCF)n2)CC[N@H+]1C ZINC001130213036 1205536887 /nfs/dbraw/zinc/53/68/87/1205536887.db2.gz QDTNBMCMESILMW-KBXIAJHMSA-N 2 1 382.484 0.583 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806056638 1205548809 /nfs/dbraw/zinc/54/88/09/1205548809.db2.gz AWYYIQKKKMHGRO-ABHNRTSZSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C/Cl)C2)O1 ZINC001130615303 1205555739 /nfs/dbraw/zinc/55/57/39/1205555739.db2.gz PNIARPUOYJIRLU-JPCQJHQOSA-N 2 1 381.908 0.776 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]C/C=C/Cl)C2)O1 ZINC001130615303 1205555741 /nfs/dbraw/zinc/55/57/41/1205555741.db2.gz PNIARPUOYJIRLU-JPCQJHQOSA-N 2 1 381.908 0.776 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000806502854 1205557711 /nfs/dbraw/zinc/55/77/11/1205557711.db2.gz JDLJXKMMOPDZNO-UHOSZYNNSA-N 2 1 393.576 0.602 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000806502854 1205557713 /nfs/dbraw/zinc/55/77/13/1205557713.db2.gz JDLJXKMMOPDZNO-UHOSZYNNSA-N 2 1 393.576 0.602 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C\Cl)C2)O1 ZINC001131014605 1205587635 /nfs/dbraw/zinc/58/76/35/1205587635.db2.gz BZLNJXZXPAMNJK-ICTVOFNLSA-N 2 1 381.908 0.776 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C\Cl)C2)O1 ZINC001131014605 1205587637 /nfs/dbraw/zinc/58/76/37/1205587637.db2.gz BZLNJXZXPAMNJK-ICTVOFNLSA-N 2 1 381.908 0.776 20 0 GCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015040 1205587781 /nfs/dbraw/zinc/58/77/81/1205587781.db2.gz NAWGTTQYUOWGEF-YWTNHNAXSA-N 2 1 393.532 0.450 20 0 GCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015040 1205587783 /nfs/dbraw/zinc/58/77/83/1205587783.db2.gz NAWGTTQYUOWGEF-YWTNHNAXSA-N 2 1 393.532 0.450 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CC(=O)N(C)C)CC2)CC[N@H+]1C ZINC001131500084 1205613532 /nfs/dbraw/zinc/61/35/32/1205613532.db2.gz ITOZYJKXTDMVGN-MYZZLAAOSA-N 2 1 380.533 0.401 20 0 GCADMP CCOC(=O)N1CCN(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CC1 ZINC000815208919 1205699390 /nfs/dbraw/zinc/69/93/90/1205699390.db2.gz GFSQVTVRHWYICP-JWTNVVGKSA-N 2 1 396.532 0.861 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@@H]3CCN(C4CC4)C(=O)C3)CC2)C1 ZINC001172014845 1205711111 /nfs/dbraw/zinc/71/11/11/1205711111.db2.gz OEEMCXKHBRTNIM-GOSISDBHSA-N 2 1 392.544 0.642 20 0 GCADMP Cc1cn([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001172107786 1205713243 /nfs/dbraw/zinc/71/32/43/1205713243.db2.gz CFUHGTWNBJMJQR-YHPRMOQLSA-N 2 1 378.473 0.511 20 0 GCADMP Cc1cn([C@H]2C[C@H]([NH2+][C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001172107786 1205713244 /nfs/dbraw/zinc/71/32/44/1205713244.db2.gz CFUHGTWNBJMJQR-YHPRMOQLSA-N 2 1 378.473 0.511 20 0 GCADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110502 1205713253 /nfs/dbraw/zinc/71/32/53/1205713253.db2.gz NSRCIVDFZGKPGQ-OJFNHCPVSA-N 2 1 382.505 0.162 20 0 GCADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110502 1205713254 /nfs/dbraw/zinc/71/32/54/1205713254.db2.gz NSRCIVDFZGKPGQ-OJFNHCPVSA-N 2 1 382.505 0.162 20 0 GCADMP COCCC[NH+]1CCC([NH2+]C[C@@H]2OCCc3cn(CC(=O)N(C)C)nc32)CC1 ZINC001172244146 1205714739 /nfs/dbraw/zinc/71/47/39/1205714739.db2.gz LLWCFAXQVGFHJC-SFHVURJKSA-N 2 1 393.532 0.676 20 0 GCADMP COCCCN1CCC([NH2+]CCCOCCOCCOCCC[NH3+])CC1 ZINC001172244827 1205714893 /nfs/dbraw/zinc/71/48/93/1205714893.db2.gz KTYNZFJMBIHRIG-UHFFFAOYSA-N 2 1 375.554 0.866 20 0 GCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662650 1205716775 /nfs/dbraw/zinc/71/67/75/1205716775.db2.gz BRHXIQNTAWOQFK-CVEARBPZSA-N 2 1 375.473 0.572 20 0 GCADMP CC[N@H+]1CC[C@H](N([C@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352991 1205719783 /nfs/dbraw/zinc/71/97/83/1205719783.db2.gz CCDIXSWRGDXSHJ-XREYTECCSA-N 3 1 386.581 0.850 20 0 GCADMP CC[N@H+]1CC[C@H](N(C[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363193 1205720091 /nfs/dbraw/zinc/72/00/91/1205720091.db2.gz JOBNSQROQAIGFH-IEZWGBDMSA-N 2 1 379.480 0.911 20 0 GCADMP CC[C@]1(C(=O)OC)C[C@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001173520086 1205723111 /nfs/dbraw/zinc/72/31/11/1205723111.db2.gz OYFHGRIVLJQYQE-FHSNZYRGSA-N 2 1 387.477 0.655 20 0 GCADMP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001173520090 1205723288 /nfs/dbraw/zinc/72/32/88/1205723288.db2.gz OYFHGRIVLJQYQE-VEVIJQCQSA-N 2 1 387.477 0.655 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173755949 1205727617 /nfs/dbraw/zinc/72/76/17/1205727617.db2.gz XEBJLZQKGYTGBD-ZIAGYGMSSA-N 2 1 388.476 0.495 20 0 GCADMP C[NH+](C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cc2ccn[nH]2)[C@H](O)OC(C)(C)C)C1 ZINC001175762212 1205740999 /nfs/dbraw/zinc/74/09/99/1205740999.db2.gz QIMDXQZJMQBGQJ-GIVGJKMXSA-N 2 1 397.520 0.248 20 0 GCADMP CO[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21 ZINC001178947930 1205797168 /nfs/dbraw/zinc/79/71/68/1205797168.db2.gz DAVYDWVDYCBCMC-XUVXKRRUSA-N 2 1 387.528 0.377 20 0 GCADMP CO[C@@H]1CCN(C(=O)CN2CC[NH+](C)CC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001178947930 1205797170 /nfs/dbraw/zinc/79/71/70/1205797170.db2.gz DAVYDWVDYCBCMC-XUVXKRRUSA-N 2 1 387.528 0.377 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001178947973 1205797241 /nfs/dbraw/zinc/79/72/41/1205797241.db2.gz DPOWDFWGDLKHPZ-IEBWSBKVSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001178947973 1205797242 /nfs/dbraw/zinc/79/72/42/1205797242.db2.gz DPOWDFWGDLKHPZ-IEBWSBKVSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+]1CCN(CC(=O)N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001178948878 1205797586 /nfs/dbraw/zinc/79/75/86/1205797586.db2.gz PHEIOVIUYFAHFO-HNAYVOBHSA-N 2 1 377.464 0.322 20 0 GCADMP C[C@@H]([NH3+])C1CCC(C(=O)N=c2ccn(C(=O)CN3CC[NH+](C)CC3)cc2)CC1 ZINC001178953687 1205797806 /nfs/dbraw/zinc/79/78/06/1205797806.db2.gz MZPSXEDBDOSPCZ-WWDZGPRUSA-N 2 1 387.528 0.957 20 0 GCADMP C[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)C1 ZINC001180757525 1205830806 /nfs/dbraw/zinc/83/08/06/1205830806.db2.gz FRBXKOWQGLPSFI-XWSJACJDSA-N 2 1 388.516 0.310 20 0 GCADMP C[N@H+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)C1 ZINC001180757525 1205830808 /nfs/dbraw/zinc/83/08/08/1205830808.db2.gz FRBXKOWQGLPSFI-XWSJACJDSA-N 2 1 388.516 0.310 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)C1 ZINC001180757525 1205830811 /nfs/dbraw/zinc/83/08/11/1205830811.db2.gz FRBXKOWQGLPSFI-XWSJACJDSA-N 2 1 388.516 0.310 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1 ZINC001180757525 1205830813 /nfs/dbraw/zinc/83/08/13/1205830813.db2.gz FRBXKOWQGLPSFI-XWSJACJDSA-N 2 1 388.516 0.310 20 0 GCADMP C[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)C1 ZINC001180757526 1205830930 /nfs/dbraw/zinc/83/09/30/1205830930.db2.gz FRBXKOWQGLPSFI-YDZRNGNQSA-N 2 1 388.516 0.310 20 0 GCADMP C[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3CC3CC3)C2)C1 ZINC001180757526 1205830931 /nfs/dbraw/zinc/83/09/31/1205830931.db2.gz FRBXKOWQGLPSFI-YDZRNGNQSA-N 2 1 388.516 0.310 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)C1 ZINC001180757526 1205830932 /nfs/dbraw/zinc/83/09/32/1205830932.db2.gz FRBXKOWQGLPSFI-YDZRNGNQSA-N 2 1 388.516 0.310 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)C1 ZINC001180757526 1205830933 /nfs/dbraw/zinc/83/09/33/1205830933.db2.gz FRBXKOWQGLPSFI-YDZRNGNQSA-N 2 1 388.516 0.310 20 0 GCADMP C[C@@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+])N(C)C ZINC001180864973 1205834792 /nfs/dbraw/zinc/83/47/92/1205834792.db2.gz NNAQEGYZOBDUEW-OZINRZGZSA-N 2 1 388.553 0.232 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013360 1205854819 /nfs/dbraw/zinc/85/48/19/1205854819.db2.gz YYQYRZYMGXQGAK-YLJYHZDGSA-N 2 1 378.517 0.015 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013360 1205854821 /nfs/dbraw/zinc/85/48/21/1205854821.db2.gz YYQYRZYMGXQGAK-YLJYHZDGSA-N 2 1 378.517 0.015 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013359 1205854851 /nfs/dbraw/zinc/85/48/51/1205854851.db2.gz YYQYRZYMGXQGAK-XLIONFOSSA-N 2 1 378.517 0.015 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013359 1205854852 /nfs/dbraw/zinc/85/48/52/1205854852.db2.gz YYQYRZYMGXQGAK-XLIONFOSSA-N 2 1 378.517 0.015 20 0 GCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001182838355 1205881356 /nfs/dbraw/zinc/88/13/56/1205881356.db2.gz OZVDBFCGYKBNSY-ZWKOTPCHSA-N 2 1 390.532 0.836 20 0 GCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001182838355 1205881359 /nfs/dbraw/zinc/88/13/59/1205881359.db2.gz OZVDBFCGYKBNSY-ZWKOTPCHSA-N 2 1 390.532 0.836 20 0 GCADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000072864065 1205899898 /nfs/dbraw/zinc/89/98/98/1205899898.db2.gz MTSUEEXPULSROQ-UHFFFAOYSA-N 2 1 375.517 0.944 20 0 GCADMP C[N@H+](CC(=O)n1cnc(C[NH3+])cc1=N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814950 1205900574 /nfs/dbraw/zinc/90/05/74/1205900574.db2.gz KZTSMUAEHPXUAY-CQSZACIVSA-N 2 1 378.477 0.793 20 0 GCADMP C[N@@H+](CC(=O)n1cnc(C[NH3+])cc1=N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814950 1205900575 /nfs/dbraw/zinc/90/05/75/1205900575.db2.gz KZTSMUAEHPXUAY-CQSZACIVSA-N 2 1 378.477 0.793 20 0 GCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001185250460 1205918918 /nfs/dbraw/zinc/91/89/18/1205918918.db2.gz GQHRRUHVNUICKW-SFHVURJKSA-N 2 1 399.543 0.464 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1nc(N2CCCC2)nc2c1C[NH2+]CC2)C1CC1 ZINC001185250460 1205918919 /nfs/dbraw/zinc/91/89/19/1205918919.db2.gz GQHRRUHVNUICKW-SFHVURJKSA-N 2 1 399.543 0.464 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCN2C)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252697 1205919490 /nfs/dbraw/zinc/91/94/90/1205919490.db2.gz TZHSUKJTIHQMJE-FUHIMQAGSA-N 2 1 388.516 0.275 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCN2C)[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252697 1205919492 /nfs/dbraw/zinc/91/94/92/1205919492.db2.gz TZHSUKJTIHQMJE-FUHIMQAGSA-N 2 1 388.516 0.275 20 0 GCADMP CO[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)CCN2C)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001185252714 1205919555 /nfs/dbraw/zinc/91/95/55/1205919555.db2.gz UCAAJAXKVWYMHB-MTQWCTHYSA-N 2 1 387.528 0.375 20 0 GCADMP CO[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCN2C)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001185252714 1205919556 /nfs/dbraw/zinc/91/95/56/1205919556.db2.gz UCAAJAXKVWYMHB-MTQWCTHYSA-N 2 1 387.528 0.375 20 0 GCADMP CO[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCN2C)[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21 ZINC001185252714 1205919558 /nfs/dbraw/zinc/91/95/58/1205919558.db2.gz UCAAJAXKVWYMHB-MTQWCTHYSA-N 2 1 387.528 0.375 20 0 GCADMP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC001185267012 1205920230 /nfs/dbraw/zinc/92/02/30/1205920230.db2.gz KVFRPRQTZYBPHE-LJQANCHMSA-N 2 1 388.512 0.800 20 0 GCADMP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)CCN3C)CC2)c1 ZINC001185267011 1205920344 /nfs/dbraw/zinc/92/03/44/1205920344.db2.gz KVFRPRQTZYBPHE-IBGZPJMESA-N 2 1 388.512 0.800 20 0 GCADMP O=C(C[N@H+]1CC[C@H](O)C1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001186036606 1205933262 /nfs/dbraw/zinc/93/32/62/1205933262.db2.gz BBCXWKALJZJYRB-KRWDZBQOSA-N 2 1 396.495 0.433 20 0 GCADMP O=C(C[N@@H+]1CC[C@H](O)C1)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001186036606 1205933264 /nfs/dbraw/zinc/93/32/64/1205933264.db2.gz BBCXWKALJZJYRB-KRWDZBQOSA-N 2 1 396.495 0.433 20 0 GCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[NH+]3CC[C@H](O)C3)CC[C@@H]21 ZINC001186037092 1205933545 /nfs/dbraw/zinc/93/35/45/1205933545.db2.gz DXXIAQBFTWTZNG-XWSJACJDSA-N 2 1 375.517 0.650 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](O)C3)CC[C@@H]21 ZINC001186037092 1205933547 /nfs/dbraw/zinc/93/35/47/1205933547.db2.gz DXXIAQBFTWTZNG-XWSJACJDSA-N 2 1 375.517 0.650 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](O)C3)CC[C@@H]21 ZINC001186037092 1205933548 /nfs/dbraw/zinc/93/35/48/1205933548.db2.gz DXXIAQBFTWTZNG-XWSJACJDSA-N 2 1 375.517 0.650 20 0 GCADMP O=C(C[N@@H+]1CC[C@@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[NH+]2CC2CC2)C1 ZINC001186038385 1205933707 /nfs/dbraw/zinc/93/37/07/1205933707.db2.gz PNMPEMYDOVSNTJ-HCXYKTFWSA-N 2 1 388.516 0.046 20 0 GCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001186038385 1205933708 /nfs/dbraw/zinc/93/37/08/1205933708.db2.gz PNMPEMYDOVSNTJ-HCXYKTFWSA-N 2 1 388.516 0.046 20 0 GCADMP O=C(C[NH+]1CC[C@@H](O)C1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001186038385 1205933709 /nfs/dbraw/zinc/93/37/09/1205933709.db2.gz PNMPEMYDOVSNTJ-HCXYKTFWSA-N 2 1 388.516 0.046 20 0 GCADMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001110416912 1206015326 /nfs/dbraw/zinc/01/53/26/1206015326.db2.gz BBBHBFLBKRMUMJ-ZJPYXAASSA-N 2 1 376.505 0.501 20 0 GCADMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001110416912 1206015330 /nfs/dbraw/zinc/01/53/30/1206015330.db2.gz BBBHBFLBKRMUMJ-ZJPYXAASSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)C1 ZINC001110416912 1206015333 /nfs/dbraw/zinc/01/53/33/1206015333.db2.gz BBBHBFLBKRMUMJ-ZJPYXAASSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCn2cncn2)C1 ZINC001110416912 1206015337 /nfs/dbraw/zinc/01/53/37/1206015337.db2.gz BBBHBFLBKRMUMJ-ZJPYXAASSA-N 2 1 376.505 0.501 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C3C[NH2+]C3)ncn1)CCC2 ZINC001164818268 720248154 /nfs/dbraw/zinc/24/81/54/720248154.db2.gz YAXBFOOPEJTALG-UHFFFAOYSA-N 2 1 383.500 0.971 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nnc1OC1CC[NH2+]CC1 ZINC001164745814 720769201 /nfs/dbraw/zinc/76/92/01/720769201.db2.gz VWPROYGSYWMZFD-WBVHZDCISA-N 2 1 397.483 0.739 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]2C1 ZINC001164851882 720835779 /nfs/dbraw/zinc/83/57/79/720835779.db2.gz IOCRJQGKYPPWEW-MSOLQXFVSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@H]2C1 ZINC001164851885 720835879 /nfs/dbraw/zinc/83/58/79/720835879.db2.gz IOCRJQGKYPPWEW-ZWKOTPCHSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@H]2C1 ZINC001164859559 720864139 /nfs/dbraw/zinc/86/41/39/720864139.db2.gz UMJNCXWABUDSJR-IRXDYDNUSA-N 2 1 377.489 0.487 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@H]2C1 ZINC001164859559 720864141 /nfs/dbraw/zinc/86/41/41/720864141.db2.gz UMJNCXWABUDSJR-IRXDYDNUSA-N 2 1 377.489 0.487 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164773655 721143091 /nfs/dbraw/zinc/14/30/91/721143091.db2.gz YNLMYXFQKCKTIV-ZWKOTPCHSA-N 2 1 382.516 0.578 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@@H]3C2)cn1 ZINC001164773651 721143712 /nfs/dbraw/zinc/14/37/12/721143712.db2.gz YNLMYXFQKCKTIV-ROUUACIJSA-N 2 1 382.516 0.578 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ncc4c(n2)CC[NH2+]C4)CC3)CC1 ZINC001164997700 722230810 /nfs/dbraw/zinc/23/08/10/722230810.db2.gz SXFJRJKALIPALK-UHFFFAOYSA-N 2 1 380.500 0.269 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571259861 945401938 /nfs/dbraw/zinc/40/19/38/945401938.db2.gz LTPKQGLOGOCIBC-WTTBNOFXSA-N 2 1 385.447 0.646 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571259861 945401940 /nfs/dbraw/zinc/40/19/40/945401940.db2.gz LTPKQGLOGOCIBC-WTTBNOFXSA-N 2 1 385.447 0.646 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C[C@H]21 ZINC001571259861 945401945 /nfs/dbraw/zinc/40/19/45/945401945.db2.gz LTPKQGLOGOCIBC-WTTBNOFXSA-N 2 1 385.447 0.646 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001571283117 945876638 /nfs/dbraw/zinc/87/66/38/945876638.db2.gz ZMLLCBRRUOTMFQ-XJKCOSOUSA-N 2 1 387.463 0.942 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571283715 945890653 /nfs/dbraw/zinc/89/06/53/945890653.db2.gz HTPGYZFGVZNPHC-ZDUSSCGKSA-N 2 1 387.513 0.962 20 0 GCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265562 949452601 /nfs/dbraw/zinc/45/26/01/949452601.db2.gz USWCLEBOXGDOGU-NWDGAFQWSA-N 2 1 375.502 0.816 20 0 GCADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711653 949544699 /nfs/dbraw/zinc/54/46/99/949544699.db2.gz JXEBQUXRJFDJFT-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711824 949554951 /nfs/dbraw/zinc/55/49/51/949554951.db2.gz MRENOUYMJBLSBO-OLZOCXBDSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191377 950193175 /nfs/dbraw/zinc/19/31/75/950193175.db2.gz FQLLENIFBPHMTR-PBHICJAKSA-N 2 1 387.488 0.117 20 0 GCADMP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001574158723 950287460 /nfs/dbraw/zinc/28/74/60/950287460.db2.gz RGHDNSXGLPSZHX-CABCVRRESA-N 2 1 386.504 0.968 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194238 950329940 /nfs/dbraw/zinc/32/99/40/950329940.db2.gz YAKILJGJCBAQFR-YOEHRIQHSA-N 2 1 387.488 0.117 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198012 950403781 /nfs/dbraw/zinc/40/37/81/950403781.db2.gz RBHCXAYRMXWYQE-GJZGRUSLSA-N 2 1 384.488 0.888 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)NC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576204895 950484132 /nfs/dbraw/zinc/48/41/32/950484132.db2.gz RZSAASXAUNEFCC-AWEZNQCLSA-N 2 1 384.488 0.866 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208139 950604496 /nfs/dbraw/zinc/60/44/96/950604496.db2.gz NDBSYVBTORCLJH-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208943 950620267 /nfs/dbraw/zinc/62/02/67/950620267.db2.gz VNCWAGJRFJPRKY-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213530 950630599 /nfs/dbraw/zinc/63/05/99/950630599.db2.gz BVMDPCRRRUCIPS-HVOFVXBASA-N 2 1 387.513 0.816 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213530 950630613 /nfs/dbraw/zinc/63/06/13/950630613.db2.gz BVMDPCRRRUCIPS-HVOFVXBASA-N 2 1 387.513 0.816 20 0 GCADMP C[C@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4ccc(-c5nn[nH]n5)s4)C[C@H]32)C1 ZINC001576213530 950630626 /nfs/dbraw/zinc/63/06/26/950630626.db2.gz BVMDPCRRRUCIPS-HVOFVXBASA-N 2 1 387.513 0.816 20 0 GCADMP C[C@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574772515 950971306 /nfs/dbraw/zinc/97/13/06/950971306.db2.gz SZYJTFUISYMVKA-OLZOCXBDSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574772515 950971320 /nfs/dbraw/zinc/97/13/20/950971320.db2.gz SZYJTFUISYMVKA-OLZOCXBDSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574772515 950971335 /nfs/dbraw/zinc/97/13/35/950971335.db2.gz SZYJTFUISYMVKA-OLZOCXBDSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079512 951692151 /nfs/dbraw/zinc/69/21/51/951692151.db2.gz QFASXWDKGGXUOA-MLGOLLRUSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079512 951692154 /nfs/dbraw/zinc/69/21/54/951692154.db2.gz QFASXWDKGGXUOA-MLGOLLRUSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575080708 951714530 /nfs/dbraw/zinc/71/45/30/951714530.db2.gz NDCZKKFJZIAWRB-CHWSQXEVSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082341 951732414 /nfs/dbraw/zinc/73/24/14/951732414.db2.gz XKQJFJOCSBHVGW-LRDDRELGSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082343 951732717 /nfs/dbraw/zinc/73/27/17/951732717.db2.gz XKQJFJOCSBHVGW-WBMJQRKESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089408 951749274 /nfs/dbraw/zinc/74/92/74/951749274.db2.gz FLEHZNMODZRXIM-WBMJQRKESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575101513 951860136 /nfs/dbraw/zinc/86/01/36/951860136.db2.gz GEOITPWCNZNAOT-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001571219083 953122142 /nfs/dbraw/zinc/12/21/42/953122142.db2.gz UVRQSYXMSWYPHL-LOUJCGABSA-N 2 1 382.472 0.760 20 0 GCADMP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001571219086 953122688 /nfs/dbraw/zinc/12/26/88/953122688.db2.gz UVRQSYXMSWYPHL-UMPJEAMMSA-N 2 1 382.472 0.760 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571250007 953308098 /nfs/dbraw/zinc/30/80/98/953308098.db2.gz NFHZUYBTGOORSP-CKEIUWERSA-N 2 1 384.488 0.863 20 0 GCADMP Cc1cc(N[C@H]2CCCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252241 953325200 /nfs/dbraw/zinc/32/52/00/953325200.db2.gz IPHUUGAMYXSIGN-CABCVRRESA-N 2 1 384.488 0.737 20 0 GCADMP Cc1cc(N(C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252463 953328046 /nfs/dbraw/zinc/32/80/46/953328046.db2.gz NIESBYABCZVVPR-CQSZACIVSA-N 2 1 384.488 0.949 20 0 GCADMP Cc1cc(N(C)C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252909 953333713 /nfs/dbraw/zinc/33/37/13/953333713.db2.gz YRZKQGMSLMKYMT-GOEBONIOSA-N 2 1 384.488 0.949 20 0 GCADMP C[N@@H+](CC(=O)N1CC[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C1)C1CCC1 ZINC001571252873 953333999 /nfs/dbraw/zinc/33/39/99/953333999.db2.gz XPWQIOWLGSCWGS-IBGZPJMESA-N 2 1 384.488 0.818 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])S(C)(=O)=O ZINC000652355037 530460453 /nfs/dbraw/zinc/46/04/53/530460453.db2.gz NROOWURCOZEIRZ-JKSUJKDBSA-N 2 1 376.567 0.612 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])S(C)(=O)=O ZINC000652355037 530460454 /nfs/dbraw/zinc/46/04/54/530460454.db2.gz NROOWURCOZEIRZ-JKSUJKDBSA-N 2 1 376.567 0.612 20 0 GCADMP C[N@H+](CCOCC[NH3+])CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000629579132 530581435 /nfs/dbraw/zinc/58/14/35/530581435.db2.gz YZVPPXATFRZASU-UHFFFAOYSA-N 2 1 390.315 0.944 20 0 GCADMP C[N@@H+](CCOCC[NH3+])CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000629579132 530581438 /nfs/dbraw/zinc/58/14/38/530581438.db2.gz YZVPPXATFRZASU-UHFFFAOYSA-N 2 1 390.315 0.944 20 0 GCADMP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000580646131 530616814 /nfs/dbraw/zinc/61/68/14/530616814.db2.gz CDTHQIBXEGEHNH-OAHLLOKOSA-N 2 1 383.290 0.729 20 0 GCADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000580646131 530616818 /nfs/dbraw/zinc/61/68/18/530616818.db2.gz CDTHQIBXEGEHNH-OAHLLOKOSA-N 2 1 383.290 0.729 20 0 GCADMP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000579099312 530738714 /nfs/dbraw/zinc/73/87/14/530738714.db2.gz WMSXFKCALCLMAM-UHFFFAOYSA-N 2 1 395.301 0.618 20 0 GCADMP [NH3+][C@@H](C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)c1ccccc1Br ZINC000662426315 531021404 /nfs/dbraw/zinc/02/14/04/531021404.db2.gz PLJNMBRTYRIPOF-LLVKDONJSA-N 2 1 380.250 0.615 20 0 GCADMP CN(CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1)C(=O)C[NH+](C)[C@H]1CCSC1 ZINC000438363837 531153989 /nfs/dbraw/zinc/15/39/89/531153989.db2.gz MBRUIYHZXSVBOQ-CABCVRRESA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@@H]1CCSC1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000438363837 531153990 /nfs/dbraw/zinc/15/39/90/531153990.db2.gz MBRUIYHZXSVBOQ-CABCVRRESA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@@H]1CCSC1)C(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000438363837 531153991 /nfs/dbraw/zinc/15/39/91/531153991.db2.gz MBRUIYHZXSVBOQ-CABCVRRESA-N 2 1 388.603 0.436 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736147280 598349199 /nfs/dbraw/zinc/34/91/99/598349199.db2.gz LZALRNYFUIJCBU-AWEZNQCLSA-N 2 1 387.488 0.830 20 0 GCADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736768735 599487917 /nfs/dbraw/zinc/48/79/17/599487917.db2.gz JHKURGJLUCWZBJ-UHFFFAOYSA-N 2 1 383.504 0.878 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737742843 599488877 /nfs/dbraw/zinc/48/88/77/599488877.db2.gz HKQUBTBZFQMAAD-CYBMUJFWSA-N 2 1 383.460 0.191 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)C1 ZINC000737742843 599488880 /nfs/dbraw/zinc/48/88/80/599488880.db2.gz HKQUBTBZFQMAAD-CYBMUJFWSA-N 2 1 383.460 0.191 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821277793 599692146 /nfs/dbraw/zinc/69/21/46/599692146.db2.gz ZARABUOFTGKSSN-KRWDZBQOSA-N 2 1 387.488 0.478 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821277793 599692147 /nfs/dbraw/zinc/69/21/47/599692147.db2.gz ZARABUOFTGKSSN-KRWDZBQOSA-N 2 1 387.488 0.478 20 0 GCADMP C[C@@H](C[NH2+]Cc1cn(C)nc1I)CN1CC[NH+](C)CC1 ZINC000894237986 638684921 /nfs/dbraw/zinc/68/49/21/638684921.db2.gz OLFGOBFBYMPUEW-LBPRGKRZSA-N 2 1 391.301 0.998 20 0 GCADMP C[NH+]1CCN([C@H](CNS(=O)(=O)CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000905334031 639299081 /nfs/dbraw/zinc/29/90/81/639299081.db2.gz BJAJMGCRXYWOFY-MRXNPFEDSA-N 2 1 386.587 0.956 20 0 GCADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911776534 639522210 /nfs/dbraw/zinc/52/22/10/639522210.db2.gz WQAORIWKQJZPNT-OAHLLOKOSA-N 2 1 385.306 0.821 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CCSC1 ZINC000929464936 641959464 /nfs/dbraw/zinc/95/94/64/641959464.db2.gz RAUBUBBBYZDAKU-KEYYUXOJSA-N 2 1 386.587 0.236 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@@H]23)CCSC1 ZINC000929464936 641959468 /nfs/dbraw/zinc/95/94/68/641959468.db2.gz RAUBUBBBYZDAKU-KEYYUXOJSA-N 2 1 386.587 0.236 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000662965015 1192172170 /nfs/dbraw/zinc/17/21/70/1192172170.db2.gz BVLUKAIJIPSKLD-VAMGGRTRSA-N 2 1 384.524 0.972 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662974139 1192174962 /nfs/dbraw/zinc/17/49/62/1192174962.db2.gz DGOYPQCGJUCJKF-ZCNNSNEGSA-N 2 1 384.524 0.972 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662974136 1192175058 /nfs/dbraw/zinc/17/50/58/1192175058.db2.gz DGOYPQCGJUCJKF-AQNXPRMDSA-N 2 1 384.524 0.972 20 0 GCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349668 1192200119 /nfs/dbraw/zinc/20/01/19/1192200119.db2.gz YNGCAYIUBNAZLT-KZNAEPCWSA-N 2 1 388.516 0.344 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085073 1192208421 /nfs/dbraw/zinc/20/84/21/1192208421.db2.gz KWMSIJFNTZNHDR-MAUKXSAKSA-N 2 1 392.500 0.709 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085073 1192208425 /nfs/dbraw/zinc/20/84/25/1192208425.db2.gz KWMSIJFNTZNHDR-MAUKXSAKSA-N 2 1 392.500 0.709 20 0 GCADMP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000652427032 1192220360 /nfs/dbraw/zinc/22/03/60/1192220360.db2.gz PMDGBBQVECLUBW-IBGZPJMESA-N 2 1 381.565 0.958 20 0 GCADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CCN(c2ccccn2)CC1 ZINC000662154136 1192247514 /nfs/dbraw/zinc/24/75/14/1192247514.db2.gz DNPMLTCKQWEHBS-LJQANCHMSA-N 2 1 387.528 0.651 20 0 GCADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)N1CCN(c2ccccn2)CC1 ZINC000662154136 1192247518 /nfs/dbraw/zinc/24/75/18/1192247518.db2.gz DNPMLTCKQWEHBS-LJQANCHMSA-N 2 1 387.528 0.651 20 0 GCADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CCN(c2ncccn2)CC1 ZINC000662153986 1192246593 /nfs/dbraw/zinc/24/65/93/1192246593.db2.gz CISCLOCCEDBZNB-SFHVURJKSA-N 2 1 388.516 0.046 20 0 GCADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCN(c2ncccn2)CC1 ZINC000662153986 1192246597 /nfs/dbraw/zinc/24/65/97/1192246597.db2.gz CISCLOCCEDBZNB-SFHVURJKSA-N 2 1 388.516 0.046 20 0 GCADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CCN(c2ccccn2)CC1 ZINC000662154135 1192247724 /nfs/dbraw/zinc/24/77/24/1192247724.db2.gz DNPMLTCKQWEHBS-IBGZPJMESA-N 2 1 387.528 0.651 20 0 GCADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)N1CCN(c2ccccn2)CC1 ZINC000662154135 1192247727 /nfs/dbraw/zinc/24/77/27/1192247727.db2.gz DNPMLTCKQWEHBS-IBGZPJMESA-N 2 1 387.528 0.651 20 0 GCADMP C[NH+]1CCN(C[C@H](NC(=O)NCC[N@H+]2CC[C@H](O)C2)c2ccccc2)CC1 ZINC000636719342 1192282962 /nfs/dbraw/zinc/28/29/62/1192282962.db2.gz QJDAUZVDSRWJEI-OALUTQOASA-N 2 1 375.517 0.341 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000330264523 1192294956 /nfs/dbraw/zinc/29/49/56/1192294956.db2.gz YAZQAHKUUUFFOI-OTWHNJEPSA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000330264523 1192294959 /nfs/dbraw/zinc/29/49/59/1192294959.db2.gz YAZQAHKUUUFFOI-OTWHNJEPSA-N 2 1 392.544 0.642 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662466729 1192300849 /nfs/dbraw/zinc/30/08/49/1192300849.db2.gz XZVULHWOOSTOTP-CVEARBPZSA-N 2 1 383.500 0.822 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000563141806 1192358103 /nfs/dbraw/zinc/35/81/03/1192358103.db2.gz JEQOJNJYBWGHRO-CVEARBPZSA-N 2 1 395.548 0.021 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643527676 1192379824 /nfs/dbraw/zinc/37/98/24/1192379824.db2.gz QUIKWLMXJDIZIY-PBHICJAKSA-N 2 1 376.457 0.334 20 0 GCADMP CCOCC[NH+]1CCN(c2cnc(N3CC[NH+](CCOCC)CC3)cn2)CC1 ZINC000663554477 1192385519 /nfs/dbraw/zinc/38/55/19/1192385519.db2.gz NEIROMOSYIODCF-UHFFFAOYSA-N 2 1 392.548 0.794 20 0 GCADMP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663612138 1192417454 /nfs/dbraw/zinc/41/74/54/1192417454.db2.gz GEPFUZSWQLGQKE-FQEVSTJZSA-N 2 1 389.500 0.120 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@H](c2ccccc2)C1 ZINC000663646354 1192444587 /nfs/dbraw/zinc/44/45/87/1192444587.db2.gz LGOZTWKFLRBVKN-UFYCRDLUSA-N 2 1 389.544 0.682 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1O ZINC000663646354 1192444588 /nfs/dbraw/zinc/44/45/88/1192444588.db2.gz LGOZTWKFLRBVKN-UFYCRDLUSA-N 2 1 389.544 0.682 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1O ZINC000663646354 1192444589 /nfs/dbraw/zinc/44/45/89/1192444589.db2.gz LGOZTWKFLRBVKN-UFYCRDLUSA-N 2 1 389.544 0.682 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432448470 1192450449 /nfs/dbraw/zinc/45/04/49/1192450449.db2.gz IOVRPLVGWPVRFM-GOSISDBHSA-N 2 1 397.564 0.635 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C[C@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463792 1192486440 /nfs/dbraw/zinc/48/64/40/1192486440.db2.gz AMQWYBLDBJPWBP-ZVDOUQERSA-N 2 1 382.593 0.947 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463792 1192486445 /nfs/dbraw/zinc/48/64/45/1192486445.db2.gz AMQWYBLDBJPWBP-ZVDOUQERSA-N 2 1 382.593 0.947 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000509735680 1192530852 /nfs/dbraw/zinc/53/08/52/1192530852.db2.gz GDMMVFVYGFKGQB-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735680 1192530854 /nfs/dbraw/zinc/53/08/54/1192530854.db2.gz GDMMVFVYGFKGQB-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000509735680 1192530855 /nfs/dbraw/zinc/53/08/55/1192530855.db2.gz GDMMVFVYGFKGQB-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000418671579 1192627941 /nfs/dbraw/zinc/62/79/41/1192627941.db2.gz LFWGWWVRUWYJCM-ACBHZAAOSA-N 2 1 381.565 0.595 20 0 GCADMP CC[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000418669982 1192629175 /nfs/dbraw/zinc/62/91/75/1192629175.db2.gz PWGQQNSIFFQSSN-MYZZLAAOSA-N 2 1 395.548 0.120 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418760244 1192640812 /nfs/dbraw/zinc/64/08/12/1192640812.db2.gz JWWAQSPSVOHEEH-IPMKNSEASA-N 2 1 375.517 0.072 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000418780962 1192643018 /nfs/dbraw/zinc/64/30/18/1192643018.db2.gz KZGKMXLUVIIEFF-UHFFFAOYSA-N 2 1 397.470 0.415 20 0 GCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418824170 1192656425 /nfs/dbraw/zinc/65/64/25/1192656425.db2.gz CVYXPWXQCWPGFB-KRWDZBQOSA-N 2 1 380.533 0.644 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+](C)C ZINC000418831496 1192659347 /nfs/dbraw/zinc/65/93/47/1192659347.db2.gz GKXFSTJKDQDFDB-BMFZPTHFSA-N 2 1 392.500 0.643 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418833153 1192659900 /nfs/dbraw/zinc/65/99/00/1192659900.db2.gz KTMDYRJRECAVRK-XHSDSOJGSA-N 2 1 378.473 0.497 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000418833763 1192660088 /nfs/dbraw/zinc/66/00/88/1192660088.db2.gz NOPWIRSBNYHXKZ-SFHVURJKSA-N 2 1 388.512 0.954 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)cs1 ZINC000418849472 1192665341 /nfs/dbraw/zinc/66/53/41/1192665341.db2.gz BAFXQAXNIQLCCU-MRXNPFEDSA-N 2 1 393.557 0.983 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)CC1 ZINC000418852236 1192665535 /nfs/dbraw/zinc/66/55/35/1192665535.db2.gz QLZKATUFAMAFAU-KRWDZBQOSA-N 2 1 376.501 0.872 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)oc1C ZINC000418851930 1192665841 /nfs/dbraw/zinc/66/58/41/1192665841.db2.gz GIGRSCLLZWGTHZ-ZIAGYGMSSA-N 2 1 391.516 0.828 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+](C)C ZINC000418854901 1192667045 /nfs/dbraw/zinc/66/70/45/1192667045.db2.gz UFCMNBCBTITFDE-VYDXJSESSA-N 2 1 376.501 1.000 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418856957 1192668695 /nfs/dbraw/zinc/66/86/95/1192668695.db2.gz XYJJCLVSMONQDE-DOTOQJQBSA-N 2 1 376.501 0.920 20 0 GCADMP C[C@]1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCC[NH2+]C1 ZINC000418880478 1192677782 /nfs/dbraw/zinc/67/77/82/1192677782.db2.gz PJSAEZIAISAONB-RXVVDRJESA-N 2 1 388.512 0.375 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000418883292 1192678731 /nfs/dbraw/zinc/67/87/31/1192678731.db2.gz USGHOURRECCZDA-VQTJNVASSA-N 2 1 396.491 0.686 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H]1C[NH3+] ZINC000418878614 1192674590 /nfs/dbraw/zinc/67/45/90/1192674590.db2.gz LQSZAUYDXBPFJB-LZQZEXGQSA-N 2 1 388.512 0.455 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000418878718 1192674762 /nfs/dbraw/zinc/67/47/62/1192674762.db2.gz LYUVDKGRVMFCGJ-SFHVURJKSA-N 2 1 388.512 0.647 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418960443 1192700916 /nfs/dbraw/zinc/70/09/16/1192700916.db2.gz IYFJWWYMDOPQMG-QIIPPGSGSA-N 2 1 390.484 0.200 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)C2)cc(OC)c1 ZINC000418960443 1192700919 /nfs/dbraw/zinc/70/09/19/1192700919.db2.gz IYFJWWYMDOPQMG-QIIPPGSGSA-N 2 1 390.484 0.200 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418960957 1192702659 /nfs/dbraw/zinc/70/26/59/1192702659.db2.gz JJFDJIMADNZEOC-BPQIPLTHSA-N 2 1 376.501 0.588 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964139 1192703674 /nfs/dbraw/zinc/70/36/74/1192703674.db2.gz MVYHRSNNZLEXPK-JKSUJKDBSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964139 1192703678 /nfs/dbraw/zinc/70/36/78/1192703678.db2.gz MVYHRSNNZLEXPK-JKSUJKDBSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964246 1192703953 /nfs/dbraw/zinc/70/39/53/1192703953.db2.gz NCCBJNAYDDFCDZ-DZGCQCFKSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964246 1192703956 /nfs/dbraw/zinc/70/39/56/1192703956.db2.gz NCCBJNAYDDFCDZ-DZGCQCFKSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966285 1192704594 /nfs/dbraw/zinc/70/45/94/1192704594.db2.gz QIFDQCOSMDVCCL-GOEBONIOSA-N 2 1 390.484 0.202 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966285 1192704597 /nfs/dbraw/zinc/70/45/97/1192704597.db2.gz QIFDQCOSMDVCCL-GOEBONIOSA-N 2 1 390.484 0.202 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418971471 1192706295 /nfs/dbraw/zinc/70/62/95/1192706295.db2.gz XPDZMTLAPIVPTP-HNNXBMFYSA-N 2 1 378.473 0.120 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418971471 1192706301 /nfs/dbraw/zinc/70/63/01/1192706301.db2.gz XPDZMTLAPIVPTP-HNNXBMFYSA-N 2 1 378.473 0.120 20 0 GCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000418986415 1192709743 /nfs/dbraw/zinc/70/97/43/1192709743.db2.gz GKXGCUFHDQIADY-IBGZPJMESA-N 2 1 381.480 0.933 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419010966 1192717191 /nfs/dbraw/zinc/71/71/91/1192717191.db2.gz ZJAAZQDYWWVIEV-QZTJIDSGSA-N 2 1 376.501 0.589 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000419020413 1192722076 /nfs/dbraw/zinc/72/20/76/1192722076.db2.gz FSRXAIGBVHUXRO-BFYDXBDKSA-N 2 1 391.520 0.137 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419026766 1192728579 /nfs/dbraw/zinc/72/85/79/1192728579.db2.gz NSCOFKDJQNKPDA-UKBAYJJMSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419030163 1192729418 /nfs/dbraw/zinc/72/94/18/1192729418.db2.gz SPMHZLATADCCRH-IKGGRYGDSA-N 2 1 395.548 0.069 20 0 GCADMP CN1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2)CC1 ZINC000237213205 1192734089 /nfs/dbraw/zinc/73/40/89/1192734089.db2.gz PXPDVTQIHXFJTB-LJQANCHMSA-N 2 1 387.528 0.361 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410592322 1192736658 /nfs/dbraw/zinc/73/66/58/1192736658.db2.gz YJBGNCPPCICQFB-NUJGCVRESA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[N@@H+]4C[C@H]3C)CC2)CCO1 ZINC000410592322 1192736659 /nfs/dbraw/zinc/73/66/59/1192736659.db2.gz YJBGNCPPCICQFB-NUJGCVRESA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCC[N@H+]4C[C@H]3C)CC2)CCO1 ZINC000410592322 1192736663 /nfs/dbraw/zinc/73/66/63/1192736663.db2.gz YJBGNCPPCICQFB-NUJGCVRESA-N 2 1 378.517 0.393 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000419044361 1192738232 /nfs/dbraw/zinc/73/82/32/1192738232.db2.gz TWPKGAIIFXAXQC-MHORFTMASA-N 2 1 382.549 0.825 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@H](C)C1 ZINC000419044188 1192738368 /nfs/dbraw/zinc/73/83/68/1192738368.db2.gz SOJFLIADKWCUIQ-QZWWFDLISA-N 2 1 398.548 0.469 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000419043788 1192738784 /nfs/dbraw/zinc/73/87/84/1192738784.db2.gz RSQAUYZOTIWVEC-YOEHRIQHSA-N 2 1 388.516 0.907 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000419041121 1192739569 /nfs/dbraw/zinc/73/95/69/1192739569.db2.gz NFXYJAUJWAERQJ-ZJPYXAASSA-N 2 1 382.549 0.873 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000419042396 1192739969 /nfs/dbraw/zinc/73/99/69/1192739969.db2.gz OZBQCNWFHALHMY-XWTMOSNGSA-N 2 1 382.549 0.968 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@H]2C[NH3+])[C@@H](C)C1 ZINC000419045607 1192740020 /nfs/dbraw/zinc/74/00/20/1192740020.db2.gz WRJOLNXSRPYDND-XLAORIBOSA-N 2 1 382.549 0.825 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])[C@H](C)C1 ZINC000419042394 1192740287 /nfs/dbraw/zinc/74/02/87/1192740287.db2.gz OZBQCNWFHALHMY-VSZNYVQBSA-N 2 1 382.549 0.968 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000419046157 1192741031 /nfs/dbraw/zinc/74/10/31/1192741031.db2.gz XVABSFHQCIOLLK-INIZCTEOSA-N 2 1 376.505 0.812 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419058426 1192750498 /nfs/dbraw/zinc/75/04/98/1192750498.db2.gz PVKNBUHXRNXCMF-GUDVDZBRSA-N 2 1 388.512 0.589 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000419057739 1192751835 /nfs/dbraw/zinc/75/18/35/1192751835.db2.gz ORECFWSIIGTBBP-IPMKNSEASA-N 2 1 388.512 0.447 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419054825 1192752527 /nfs/dbraw/zinc/75/25/27/1192752527.db2.gz IMWCOXMJVGFKEU-IEBWSBKVSA-N 2 1 388.512 0.589 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC1CC[NH2+]CC1 ZINC000419057224 1192753659 /nfs/dbraw/zinc/75/36/59/1192753659.db2.gz NNROHGAXHVDHMS-IEBWSBKVSA-N 2 1 388.512 0.508 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000410615585 1192758280 /nfs/dbraw/zinc/75/82/80/1192758280.db2.gz PZBRRGSZHUOMHE-QRVBRYPASA-N 2 1 392.544 0.642 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419066010 1192760333 /nfs/dbraw/zinc/76/03/33/1192760333.db2.gz DVMMOHMFRDSBJE-QFBILLFUSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)c2)CCO1 ZINC000419066010 1192760337 /nfs/dbraw/zinc/76/03/37/1192760337.db2.gz DVMMOHMFRDSBJE-QFBILLFUSA-N 2 1 388.512 0.782 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2)CCO1 ZINC000419069329 1192764890 /nfs/dbraw/zinc/76/48/90/1192764890.db2.gz ITGLKLFLSZGQHY-GPMSIDNRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)c2)CCO1 ZINC000419069329 1192764893 /nfs/dbraw/zinc/76/48/93/1192764893.db2.gz ITGLKLFLSZGQHY-GPMSIDNRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2)CCO1 ZINC000419069327 1192764927 /nfs/dbraw/zinc/76/49/27/1192764927.db2.gz ITGLKLFLSZGQHY-FRQCXROJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)c2)CCO1 ZINC000419069327 1192764929 /nfs/dbraw/zinc/76/49/29/1192764929.db2.gz ITGLKLFLSZGQHY-FRQCXROJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000440401200 1192768724 /nfs/dbraw/zinc/76/87/24/1192768724.db2.gz CVHIXUGHFDKFQF-GGPKGHCWSA-N 2 1 396.576 0.333 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000410626363 1192771087 /nfs/dbraw/zinc/77/10/87/1192771087.db2.gz ZEAHWXIQFKXEFG-SCTDSRPQSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000410626363 1192771092 /nfs/dbraw/zinc/77/10/92/1192771092.db2.gz ZEAHWXIQFKXEFG-SCTDSRPQSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000410626363 1192771098 /nfs/dbraw/zinc/77/10/98/1192771098.db2.gz ZEAHWXIQFKXEFG-SCTDSRPQSA-N 2 1 392.544 0.783 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419074228 1192771592 /nfs/dbraw/zinc/77/15/92/1192771592.db2.gz NJQJPJQWAUOHJX-QAPCUYQASA-N 2 1 376.501 0.623 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419074228 1192771595 /nfs/dbraw/zinc/77/15/95/1192771595.db2.gz NJQJPJQWAUOHJX-QAPCUYQASA-N 2 1 376.501 0.623 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419076134 1192773407 /nfs/dbraw/zinc/77/34/07/1192773407.db2.gz PIVWTAWMCFKBFG-HZPDHXFCSA-N 2 1 376.501 0.638 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419076134 1192773412 /nfs/dbraw/zinc/77/34/12/1192773412.db2.gz PIVWTAWMCFKBFG-HZPDHXFCSA-N 2 1 376.501 0.638 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419076133 1192773425 /nfs/dbraw/zinc/77/34/25/1192773425.db2.gz PIVWTAWMCFKBFG-CVEARBPZSA-N 2 1 376.501 0.638 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419076133 1192773428 /nfs/dbraw/zinc/77/34/28/1192773428.db2.gz PIVWTAWMCFKBFG-CVEARBPZSA-N 2 1 376.501 0.638 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419079305 1192775702 /nfs/dbraw/zinc/77/57/02/1192775702.db2.gz UPKCSDOZGWOUSI-VQIMIIECSA-N 2 1 388.512 0.591 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419079305 1192775705 /nfs/dbraw/zinc/77/57/05/1192775705.db2.gz UPKCSDOZGWOUSI-VQIMIIECSA-N 2 1 388.512 0.591 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419079086 1192776589 /nfs/dbraw/zinc/77/65/89/1192776589.db2.gz UJMUCMHNMQUDEX-UHFFFAOYSA-N 2 1 395.935 0.694 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419081963 1192778092 /nfs/dbraw/zinc/77/80/92/1192778092.db2.gz ZIHMQFUPULFYTI-MRXNPFEDSA-N 2 1 376.501 0.639 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419081963 1192778096 /nfs/dbraw/zinc/77/80/96/1192778096.db2.gz ZIHMQFUPULFYTI-MRXNPFEDSA-N 2 1 376.501 0.639 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419111523 1192791223 /nfs/dbraw/zinc/79/12/23/1192791223.db2.gz DGFLFKBGUYMIJN-GOSISDBHSA-N 2 1 380.533 0.666 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419120290 1192793501 /nfs/dbraw/zinc/79/35/01/1192793501.db2.gz PZLPLUGAHFNAPK-YLJYHZDGSA-N 2 1 380.533 0.452 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)[NH+]1CCOCC1 ZINC000419120522 1192793600 /nfs/dbraw/zinc/79/36/00/1192793600.db2.gz QNKAHHNRDPSLAB-GOSISDBHSA-N 2 1 382.549 0.698 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCOCC1 ZINC000419120195 1192793701 /nfs/dbraw/zinc/79/37/01/1192793701.db2.gz PVBRQJQIUXQVLT-MKXGPGLRSA-N 2 1 394.560 0.744 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419121694 1192794873 /nfs/dbraw/zinc/79/48/73/1192794873.db2.gz SHMMMDPVSWVUPE-FUHWJXTLSA-N 2 1 382.549 0.746 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+]1CCOCC1 ZINC000419123742 1192795949 /nfs/dbraw/zinc/79/59/49/1192795949.db2.gz WFOODUIJVHWUBE-MANSERQUSA-N 2 1 394.560 0.825 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419123786 1192796170 /nfs/dbraw/zinc/79/61/70/1192796170.db2.gz WJKCEPAEESIHFT-BZSNNMDCSA-N 2 1 398.548 0.204 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[NH+]1CCN(C)CC1 ZINC000419128211 1192798036 /nfs/dbraw/zinc/79/80/36/1192798036.db2.gz VOISWTBVNUCVOG-RBUKOAKNSA-N 2 1 393.576 0.365 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419114024 1192800071 /nfs/dbraw/zinc/80/00/71/1192800071.db2.gz HKONOVGDRMTHPP-SJLPKXTDSA-N 2 1 382.549 0.698 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419114723 1192800810 /nfs/dbraw/zinc/80/08/10/1192800810.db2.gz SIGUHFKXZVTEDG-RYQLBKOJSA-N 2 1 376.501 0.588 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419118487 1192802196 /nfs/dbraw/zinc/80/21/96/1192802196.db2.gz NVWMRTZKFSDWCY-QGZVFWFLSA-N 2 1 382.549 0.746 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419135226 1192807740 /nfs/dbraw/zinc/80/77/40/1192807740.db2.gz MCMYLOSUMBKZEW-CGTJXYLNSA-N 2 1 388.512 0.996 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419135229 1192807848 /nfs/dbraw/zinc/80/78/48/1192807848.db2.gz MCMYLOSUMBKZEW-SZMVWBNQSA-N 2 1 388.512 0.996 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419135227 1192808024 /nfs/dbraw/zinc/80/80/24/1192808024.db2.gz MCMYLOSUMBKZEW-JQHSSLGASA-N 2 1 388.512 0.996 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419160463 1192818228 /nfs/dbraw/zinc/81/82/28/1192818228.db2.gz HLIMUYVLDOZFAB-MSOLQXFVSA-N 2 1 376.501 0.445 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419161464 1192819024 /nfs/dbraw/zinc/81/90/24/1192819024.db2.gz IYQYIDVYDHRLST-MSOLQXFVSA-N 2 1 376.501 0.364 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161880 1192821093 /nfs/dbraw/zinc/82/10/93/1192821093.db2.gz FLYOSSSQSQOQRU-QRQLOZEOSA-N 2 1 388.512 0.650 20 0 GCADMP [NH3+]C1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000419163399 1192821109 /nfs/dbraw/zinc/82/11/09/1192821109.db2.gz JTZQFSMFZLEVDQ-ACBHZAAOSA-N 2 1 388.512 0.780 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000419153768 1192823424 /nfs/dbraw/zinc/82/34/24/1192823424.db2.gz QHUBVASZYXBLMO-SNRMKQJTSA-N 2 1 386.496 0.610 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1(C)C ZINC000419178412 1192828545 /nfs/dbraw/zinc/82/85/45/1192828545.db2.gz GAPQECBZLHIVBG-UHFFFAOYSA-N 2 1 375.517 0.116 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419167662 1192829191 /nfs/dbraw/zinc/82/91/91/1192829191.db2.gz QRYQWCLMVZCBEX-FUHWJXTLSA-N 2 1 376.501 0.365 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419167986 1192829383 /nfs/dbraw/zinc/82/93/83/1192829383.db2.gz RFIUOXIMFNAYCR-RTBURBONSA-N 2 1 388.512 0.652 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[C@@H]1[NH3+] ZINC000419168358 1192829622 /nfs/dbraw/zinc/82/96/22/1192829622.db2.gz RSQAKNYAORHXGB-QRQLOZEOSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419168818 1192829860 /nfs/dbraw/zinc/82/98/60/1192829860.db2.gz TUOMQLXVEAAEHJ-BHIYHBOVSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000419194785 1192832568 /nfs/dbraw/zinc/83/25/68/1192832568.db2.gz UEBJMAJARUQCEF-APWZRJJASA-N 2 1 388.512 0.782 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196018 1192833036 /nfs/dbraw/zinc/83/30/36/1192833036.db2.gz AGWKSLIEDLBJJT-LPHOPBHVSA-N 2 1 388.512 0.639 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000419196842 1192836668 /nfs/dbraw/zinc/83/66/68/1192836668.db2.gz BDFBUQBEWHYHJW-BFHYXJOUSA-N 2 1 378.439 0.963 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000419196842 1192836675 /nfs/dbraw/zinc/83/66/75/1192836675.db2.gz BDFBUQBEWHYHJW-BFHYXJOUSA-N 2 1 378.439 0.963 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419197697 1192837578 /nfs/dbraw/zinc/83/75/78/1192837578.db2.gz BXRGOWRLCKLPCH-UHFFFAOYSA-N 2 1 375.517 0.164 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@H+](C)C[C@H]3C(C)C)CC2)c1 ZINC000410698333 1192838216 /nfs/dbraw/zinc/83/82/16/1192838216.db2.gz NIXSEHLQUABISE-KRWDZBQOSA-N 2 1 389.500 0.537 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[N@@H+](C)C[C@H]3C(C)C)CC2)c1 ZINC000410698333 1192838223 /nfs/dbraw/zinc/83/82/23/1192838223.db2.gz NIXSEHLQUABISE-KRWDZBQOSA-N 2 1 389.500 0.537 20 0 GCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C ZINC000410701440 1192841935 /nfs/dbraw/zinc/84/19/35/1192841935.db2.gz MKOHMNZLNNQUEN-IAGOWNOFSA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@H]1C ZINC000410701440 1192841946 /nfs/dbraw/zinc/84/19/46/1192841946.db2.gz MKOHMNZLNNQUEN-IAGOWNOFSA-N 2 1 382.549 0.887 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000419202254 1192843128 /nfs/dbraw/zinc/84/31/28/1192843128.db2.gz GSOCSAKYVNHHEO-JTDSTZFVSA-N 2 1 388.512 0.780 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893741579 1192847496 /nfs/dbraw/zinc/84/74/96/1192847496.db2.gz SKBDUMDRINLCST-NMLBUPMWSA-N 2 1 394.560 0.995 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419204773 1192857652 /nfs/dbraw/zinc/85/76/52/1192857652.db2.gz JDVDLUCXTKVTPF-APWZRJJASA-N 2 1 388.512 0.721 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)ccn1 ZINC000893914312 1192875935 /nfs/dbraw/zinc/87/59/35/1192875935.db2.gz NJAMWYUPKLVMKR-ROUUACIJSA-N 2 1 391.516 0.763 20 0 GCADMP C[C@@H]1CN(c2nc(C(N)=O)cc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000893991575 1192887140 /nfs/dbraw/zinc/88/71/40/1192887140.db2.gz RVBSBYFIAFWRHM-NMWPEEMBSA-N 2 1 375.521 0.633 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000410778215 1192901122 /nfs/dbraw/zinc/90/11/22/1192901122.db2.gz DZDNCRKQPPPZGR-QZTJIDSGSA-N 2 1 394.560 0.746 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000410778215 1192901126 /nfs/dbraw/zinc/90/11/26/1192901126.db2.gz DZDNCRKQPPPZGR-QZTJIDSGSA-N 2 1 394.560 0.746 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332798260 1192903047 /nfs/dbraw/zinc/90/30/47/1192903047.db2.gz NEPUUJSKPJFWLG-USTZCAOPSA-N 2 1 378.517 0.489 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332798260 1192903048 /nfs/dbraw/zinc/90/30/48/1192903048.db2.gz NEPUUJSKPJFWLG-USTZCAOPSA-N 2 1 378.517 0.489 20 0 GCADMP O=C(COCC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332798260 1192903051 /nfs/dbraw/zinc/90/30/51/1192903051.db2.gz NEPUUJSKPJFWLG-USTZCAOPSA-N 2 1 378.517 0.489 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419214111 1192907100 /nfs/dbraw/zinc/90/71/00/1192907100.db2.gz MGQQKPIMLRLYRA-MRXNPFEDSA-N 2 1 376.501 0.314 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410938279 1192917584 /nfs/dbraw/zinc/91/75/84/1192917584.db2.gz NYEXIWILLMRUJU-MRXNPFEDSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410938279 1192917587 /nfs/dbraw/zinc/91/75/87/1192917587.db2.gz NYEXIWILLMRUJU-MRXNPFEDSA-N 2 1 380.533 0.377 20 0 GCADMP CN(CC(C)(C)CN1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000410972644 1192921417 /nfs/dbraw/zinc/92/14/17/1192921417.db2.gz HREYDHPJDGJVIO-DLBZAZTESA-N 2 1 380.533 0.356 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000410972644 1192921420 /nfs/dbraw/zinc/92/14/20/1192921420.db2.gz HREYDHPJDGJVIO-DLBZAZTESA-N 2 1 380.533 0.356 20 0 GCADMP CNS(=O)(=O)c1ccc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)cn1 ZINC000274501410 1184078290 /nfs/dbraw/zinc/07/82/90/1184078290.db2.gz IIJMNKWMSFRWSH-UHFFFAOYSA-N 2 1 383.518 0.088 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)CC1 ZINC000579700362 1184095980 /nfs/dbraw/zinc/09/59/80/1184095980.db2.gz NFXQCOIVINYKAA-PKOBYXMFSA-N 2 1 391.560 0.168 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000579716509 1184104559 /nfs/dbraw/zinc/10/45/59/1184104559.db2.gz PFLSVSAKACFIGU-QUCCMNQESA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000579716509 1184104562 /nfs/dbraw/zinc/10/45/62/1184104562.db2.gz PFLSVSAKACFIGU-QUCCMNQESA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000579716509 1184104565 /nfs/dbraw/zinc/10/45/65/1184104565.db2.gz PFLSVSAKACFIGU-QUCCMNQESA-N 2 1 389.544 0.581 20 0 GCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654727292 1184105721 /nfs/dbraw/zinc/10/57/21/1184105721.db2.gz JKYCODDMABSXNV-MSOLQXFVSA-N 2 1 377.533 0.953 20 0 GCADMP O=C(C[NH+]1CCCC1)N1CCN(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000654727295 1184105789 /nfs/dbraw/zinc/10/57/89/1184105789.db2.gz JKYCODDMABSXNV-ZWKOTPCHSA-N 2 1 377.533 0.953 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654799685 1184145201 /nfs/dbraw/zinc/14/52/01/1184145201.db2.gz UILJOXMSGKZJAU-RTBURBONSA-N 2 1 396.601 0.727 20 0 GCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000654967000 1184229114 /nfs/dbraw/zinc/22/91/14/1184229114.db2.gz XRUGKEMWLBWIOP-MRXNPFEDSA-N 2 1 398.467 0.919 20 0 GCADMP CN1CCN(c2cc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)ncn2)CC1=O ZINC000274732012 1184231609 /nfs/dbraw/zinc/23/16/09/1184231609.db2.gz CFKDJXXXSOXZCH-GOSISDBHSA-N 2 1 396.495 0.934 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000579813521 1184241740 /nfs/dbraw/zinc/24/17/40/1184241740.db2.gz XUQFJOJUEFHBKF-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP COC[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000655017989 1184249137 /nfs/dbraw/zinc/24/91/37/1184249137.db2.gz RXTFVLSGXCJACN-MRXNPFEDSA-N 2 1 382.549 0.698 20 0 GCADMP COC[C@@H](CNC(=O)C[NH+]1CCC(C)(C)C1)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000655017989 1184249145 /nfs/dbraw/zinc/24/91/45/1184249145.db2.gz RXTFVLSGXCJACN-MRXNPFEDSA-N 2 1 382.549 0.698 20 0 GCADMP COC[C@@H](CNC(=O)C[NH+]1CCC(C)(C)C1)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000655017989 1184249152 /nfs/dbraw/zinc/24/91/52/1184249152.db2.gz RXTFVLSGXCJACN-MRXNPFEDSA-N 2 1 382.549 0.698 20 0 GCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCC(=O)NC(N)=O)CC1)Cc1ccccc1 ZINC000471218827 1184462643 /nfs/dbraw/zinc/46/26/43/1184462643.db2.gz DWWVZSPCNJYVOA-UHFFFAOYSA-N 2 1 389.500 0.532 20 0 GCADMP C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471235110 1184491663 /nfs/dbraw/zinc/49/16/63/1184491663.db2.gz NRGIQCHSOGUZIZ-HNNXBMFYSA-N 2 1 389.500 0.530 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557264 1184573439 /nfs/dbraw/zinc/57/34/39/1184573439.db2.gz UATBXRLEXYWPOU-QUCCMNQESA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557264 1184573445 /nfs/dbraw/zinc/57/34/45/1184573445.db2.gz UATBXRLEXYWPOU-QUCCMNQESA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557264 1184573449 /nfs/dbraw/zinc/57/34/49/1184573449.db2.gz UATBXRLEXYWPOU-QUCCMNQESA-N 2 1 379.549 0.520 20 0 GCADMP CC(=O)N1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250344 1184575570 /nfs/dbraw/zinc/57/55/70/1184575570.db2.gz UUBDAUUDDAWSMH-PKOBYXMFSA-N 2 1 379.549 0.166 20 0 GCADMP CCOC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4C[C@]5(C(=O)OC)C[NH2+]C[C@@H]5[C@H]4C3)c12 ZINC001167228023 1184647300 /nfs/dbraw/zinc/64/73/00/1184647300.db2.gz BTZZJGMLUQXDFL-MCOIJGOFSA-N 2 1 399.451 0.970 20 0 GCADMP CN(C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252080 1184668230 /nfs/dbraw/zinc/66/82/30/1184668230.db2.gz SGHLGTGHGTVQJL-DOTOQJQBSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@@H](O)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252080 1184668236 /nfs/dbraw/zinc/66/82/36/1184668236.db2.gz SGHLGTGHGTVQJL-DOTOQJQBSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252080 1184668238 /nfs/dbraw/zinc/66/82/38/1184668238.db2.gz SGHLGTGHGTVQJL-DOTOQJQBSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252080 1184668242 /nfs/dbraw/zinc/66/82/42/1184668242.db2.gz SGHLGTGHGTVQJL-DOTOQJQBSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252080 1184668244 /nfs/dbraw/zinc/66/82/44/1184668244.db2.gz SGHLGTGHGTVQJL-DOTOQJQBSA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252080 1184668248 /nfs/dbraw/zinc/66/82/48/1184668248.db2.gz SGHLGTGHGTVQJL-DOTOQJQBSA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252080 1184668252 /nfs/dbraw/zinc/66/82/52/1184668252.db2.gz SGHLGTGHGTVQJL-DOTOQJQBSA-N 2 1 398.548 0.794 20 0 GCADMP CN(CC(C)(C)C[NH+](C)C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000890883006 1184741747 /nfs/dbraw/zinc/74/17/47/1184741747.db2.gz FYFMVXFYUKUSKL-QGZVFWFLSA-N 2 1 382.549 0.746 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@@H](C)C1 ZINC000332831870 1184746675 /nfs/dbraw/zinc/74/66/75/1184746675.db2.gz FKHLMKHDGZABPD-RNIPGJKVSA-N 2 1 382.549 0.851 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642729109 1184756608 /nfs/dbraw/zinc/75/66/08/1184756608.db2.gz JVGBCDUZWTVKIZ-ROUUACIJSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642729109 1184756613 /nfs/dbraw/zinc/75/66/13/1184756613.db2.gz JVGBCDUZWTVKIZ-ROUUACIJSA-N 2 1 390.553 0.979 20 0 GCADMP C[NH+]1CCN([C@H](C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c2ccccc2)CC1 ZINC000579956549 1184823830 /nfs/dbraw/zinc/82/38/30/1184823830.db2.gz LYVWHBCGQFLYPH-UXHICEINSA-N 2 1 397.527 0.889 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642743925 1184852405 /nfs/dbraw/zinc/85/24/05/1184852405.db2.gz FQDUIBPGGNAMPE-KRWDZBQOSA-N 2 1 387.528 0.653 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000642754573 1184907710 /nfs/dbraw/zinc/90/77/10/1184907710.db2.gz SYOBNMYCWODOPH-WSTZPKSXSA-N 2 1 399.539 0.524 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCO1 ZINC000642761472 1184926234 /nfs/dbraw/zinc/92/62/34/1184926234.db2.gz KYZOEEAQRVTYQF-JKQORVJESA-N 2 1 394.541 0.822 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656027585 1184962901 /nfs/dbraw/zinc/96/29/01/1184962901.db2.gz DNOAJUHTZFRYGQ-FCGDIQPGSA-N 2 1 392.544 0.864 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000656071162 1185006506 /nfs/dbraw/zinc/00/65/06/1185006506.db2.gz OWMMZXVMVAEEMG-GOSISDBHSA-N 2 1 393.576 0.558 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](NC(=O)C3CC[NH+](CC4CC4)CC3)[C@@H](O)C2)CC[N@H+]1C ZINC000970792396 1185028050 /nfs/dbraw/zinc/02/80/50/1185028050.db2.gz TZBAINTXWPOIES-AXUOBQJMSA-N 2 1 392.544 0.137 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1N(C)C ZINC000275792959 1185058042 /nfs/dbraw/zinc/05/80/42/1185058042.db2.gz CJLZMYMYWYZLGD-OAHLLOKOSA-N 2 1 391.520 0.356 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000683816068 1185073357 /nfs/dbraw/zinc/07/33/57/1185073357.db2.gz IYDKJZNZRXYZFC-QGZVFWFLSA-N 2 1 381.565 0.907 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801779 1185084199 /nfs/dbraw/zinc/08/41/99/1185084199.db2.gz DBXPONHKZLGJCY-INIZCTEOSA-N 2 1 378.521 0.850 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580173427 1185105082 /nfs/dbraw/zinc/10/50/82/1185105082.db2.gz LVIXBMOAAMEDAO-DLBZAZTESA-N 2 1 378.517 0.206 20 0 GCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000580184557 1185109765 /nfs/dbraw/zinc/10/97/65/1185109765.db2.gz HHDIHEAOYGUJBA-LWYYNNOASA-N 2 1 382.508 0.787 20 0 GCADMP C[NH2+][C@@H](C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cnn(C)c1 ZINC000580189085 1185113564 /nfs/dbraw/zinc/11/35/64/1185113564.db2.gz GKORWCIGDYBKCT-QGZVFWFLSA-N 2 1 378.521 0.424 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000580301700 1185144977 /nfs/dbraw/zinc/14/49/77/1185144977.db2.gz POUSKUMSHOVBSB-QZTJIDSGSA-N 2 1 387.528 0.511 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308085 1185148929 /nfs/dbraw/zinc/14/89/29/1185148929.db2.gz SBPBCZLWUZQZDR-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308085 1185148933 /nfs/dbraw/zinc/14/89/33/1185148933.db2.gz SBPBCZLWUZQZDR-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308085 1185148937 /nfs/dbraw/zinc/14/89/37/1185148937.db2.gz SBPBCZLWUZQZDR-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000580324415 1185165489 /nfs/dbraw/zinc/16/54/89/1185165489.db2.gz UONFKQJCGJOFTL-CABCVRRESA-N 2 1 378.439 0.582 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[N@H+](CCO)C(C)(C)C3)n2)CC1 ZINC000683872725 1185166441 /nfs/dbraw/zinc/16/64/41/1185166441.db2.gz DHGALODAQSRZSI-UHFFFAOYSA-N 2 1 392.504 0.003 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[N@@H+](CCO)C(C)(C)C3)n2)CC1 ZINC000683872725 1185166455 /nfs/dbraw/zinc/16/64/55/1185166455.db2.gz DHGALODAQSRZSI-UHFFFAOYSA-N 2 1 392.504 0.003 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354457 1185196441 /nfs/dbraw/zinc/19/64/41/1185196441.db2.gz DXLKCMMDLLLCFZ-ZWKOTPCHSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000580431769 1185229901 /nfs/dbraw/zinc/22/99/01/1185229901.db2.gz BWUHZRSFODLLGI-DZVNLGKHSA-N 2 1 378.517 0.155 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580498889 1185253674 /nfs/dbraw/zinc/25/36/74/1185253674.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580498889 1185253682 /nfs/dbraw/zinc/25/36/82/1185253682.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000580498889 1185253686 /nfs/dbraw/zinc/25/36/86/1185253686.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000580498889 1185253692 /nfs/dbraw/zinc/25/36/92/1185253692.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000580498889 1185253699 /nfs/dbraw/zinc/25/36/99/1185253699.db2.gz FWEJTTCTSDHEDW-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP Cc1ccc(NCCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[nH+]c1 ZINC000548116939 1185283738 /nfs/dbraw/zinc/28/37/38/1185283738.db2.gz MOCVUEGGTSZRRO-UHFFFAOYSA-N 2 1 390.532 1.434 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656284847 1185321782 /nfs/dbraw/zinc/32/17/82/1185321782.db2.gz AHQUAVRGIVHVRA-SQNIBIBYSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656284847 1185321788 /nfs/dbraw/zinc/32/17/88/1185321788.db2.gz AHQUAVRGIVHVRA-SQNIBIBYSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656284847 1185321799 /nfs/dbraw/zinc/32/17/99/1185321799.db2.gz AHQUAVRGIVHVRA-SQNIBIBYSA-N 2 1 380.533 0.593 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000656287072 1185324851 /nfs/dbraw/zinc/32/48/51/1185324851.db2.gz XYGMQOAKUKBORX-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP CN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296549 1185356243 /nfs/dbraw/zinc/35/62/43/1185356243.db2.gz LCGWNAKYGFVVQR-QZTJIDSGSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656296549 1185356248 /nfs/dbraw/zinc/35/62/48/1185356248.db2.gz LCGWNAKYGFVVQR-QZTJIDSGSA-N 2 1 379.549 0.263 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656296549 1185356253 /nfs/dbraw/zinc/35/62/53/1185356253.db2.gz LCGWNAKYGFVVQR-QZTJIDSGSA-N 2 1 379.549 0.263 20 0 GCADMP C[C@@H]([NH3+])CNC(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000642792961 1185382657 /nfs/dbraw/zinc/38/26/57/1185382657.db2.gz QWRUDSVOZFKBPF-QGZVFWFLSA-N 2 1 375.517 0.164 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656312118 1185389253 /nfs/dbraw/zinc/38/92/53/1185389253.db2.gz SKQAUXPDZAYVBA-ZWKOTPCHSA-N 2 1 392.544 0.881 20 0 GCADMP O=C(CC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000580894487 1185407975 /nfs/dbraw/zinc/40/79/75/1185407975.db2.gz DFIFEFMHKADNRT-FQEVSTJZSA-N 2 1 389.519 0.844 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CCCO1 ZINC000656326135 1185418946 /nfs/dbraw/zinc/41/89/46/1185418946.db2.gz IQZXCUVCNHDUOV-KZNAEPCWSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000656326135 1185418948 /nfs/dbraw/zinc/41/89/48/1185418948.db2.gz IQZXCUVCNHDUOV-KZNAEPCWSA-N 2 1 380.533 0.737 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656326730 1185422567 /nfs/dbraw/zinc/42/25/67/1185422567.db2.gz CLLAKDVOTIURTF-MANSERQUSA-N 2 1 392.544 0.614 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656353390 1185449652 /nfs/dbraw/zinc/44/96/52/1185449652.db2.gz ANRYNDQYNAJILU-ZWKOTPCHSA-N 2 1 380.533 0.689 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656357283 1185453332 /nfs/dbraw/zinc/45/33/32/1185453332.db2.gz YPJBSKQOSITGKY-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656357283 1185453337 /nfs/dbraw/zinc/45/33/37/1185453337.db2.gz YPJBSKQOSITGKY-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000656355630 1185456079 /nfs/dbraw/zinc/45/60/79/1185456079.db2.gz MDTJAJNWTLATDG-RCCFBDPRSA-N 2 1 378.517 0.300 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000656355630 1185456081 /nfs/dbraw/zinc/45/60/81/1185456081.db2.gz MDTJAJNWTLATDG-RCCFBDPRSA-N 2 1 378.517 0.300 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356455 1185457627 /nfs/dbraw/zinc/45/76/27/1185457627.db2.gz DMTIKFPNOMEVQD-BHIYHBOVSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356455 1185457630 /nfs/dbraw/zinc/45/76/30/1185457630.db2.gz DMTIKFPNOMEVQD-BHIYHBOVSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356455 1185457634 /nfs/dbraw/zinc/45/76/34/1185457634.db2.gz DMTIKFPNOMEVQD-BHIYHBOVSA-N 2 1 392.544 0.831 20 0 GCADMP NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000581002289 1185468115 /nfs/dbraw/zinc/46/81/15/1185468115.db2.gz DFESYRLINUZWKS-QGZVFWFLSA-N 2 1 392.525 0.687 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000471637544 1185471946 /nfs/dbraw/zinc/47/19/46/1185471946.db2.gz XGHIPFOCDWQDGA-RBUKOAKNSA-N 2 1 378.517 0.747 20 0 GCADMP [NH3+]C1(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CCN(Cc2ccccc2)CC1 ZINC000581130625 1185508789 /nfs/dbraw/zinc/50/87/89/1185508789.db2.gz QDOJTXALEHQLBI-UHFFFAOYSA-N 2 1 397.527 0.926 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419449712 1185508922 /nfs/dbraw/zinc/50/89/22/1185508922.db2.gz KHZBPDPKYOSICQ-KURKYZTESA-N 2 1 387.528 0.699 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000581299914 1185574104 /nfs/dbraw/zinc/57/41/04/1185574104.db2.gz QUVXVNSTIUJASE-DLBZAZTESA-N 2 1 376.505 0.270 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299807 1185574177 /nfs/dbraw/zinc/57/41/77/1185574177.db2.gz HXCFXTHZPYTMSU-IAGOWNOFSA-N 2 1 377.533 0.857 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCOCC[NH+](C)C ZINC000471643328 1185577214 /nfs/dbraw/zinc/57/72/14/1185577214.db2.gz HJOPRJUYTYGCIE-FQEVSTJZSA-N 2 1 378.517 0.843 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313513 1185586320 /nfs/dbraw/zinc/58/63/20/1185586320.db2.gz IRMHWWRZWMJFCU-UAGQMJEPSA-N 2 1 398.515 0.071 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104345622 1185611517 /nfs/dbraw/zinc/61/15/17/1185611517.db2.gz LLAMVSALPPNACQ-QBPKDAKJSA-N 2 1 382.549 0.694 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)NC(C)(C)C ZINC001104345622 1185611524 /nfs/dbraw/zinc/61/15/24/1185611524.db2.gz LLAMVSALPPNACQ-QBPKDAKJSA-N 2 1 382.549 0.694 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000581361284 1185615693 /nfs/dbraw/zinc/61/56/93/1185615693.db2.gz SWPRJZQUBNZPJI-QGZVFWFLSA-N 2 1 398.548 0.077 20 0 GCADMP CCn1c(C)nnc1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346721 1185618291 /nfs/dbraw/zinc/61/82/91/1185618291.db2.gz IAOYXHCRIBMGJX-JOCBIADPSA-N 2 1 392.548 0.900 20 0 GCADMP CCn1nnc(C)c1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347353 1185621472 /nfs/dbraw/zinc/62/14/72/1185621472.db2.gz WELXNFMBNBXQJK-FXRXJOCMSA-N 2 1 392.548 0.900 20 0 GCADMP CCn1nnc(C)c1C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347353 1185621479 /nfs/dbraw/zinc/62/14/79/1185621479.db2.gz WELXNFMBNBXQJK-FXRXJOCMSA-N 2 1 392.548 0.900 20 0 GCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347239 1185621763 /nfs/dbraw/zinc/62/17/63/1185621763.db2.gz TZXBLWYSAYZQRT-BRSBDYLESA-N 2 1 382.549 0.552 20 0 GCADMP CC(C)CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104347239 1185621771 /nfs/dbraw/zinc/62/17/71/1185621771.db2.gz TZXBLWYSAYZQRT-BRSBDYLESA-N 2 1 382.549 0.552 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000471648979 1185647604 /nfs/dbraw/zinc/64/76/04/1185647604.db2.gz WXRITBBXQBWAAV-RBUKOAKNSA-N 2 1 378.517 0.747 20 0 GCADMP [NH3+]CCCOC1CC[NH+](CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000430590488 1185650635 /nfs/dbraw/zinc/65/06/35/1185650635.db2.gz CLVYVZSHAIOCFS-UHFFFAOYSA-N 2 1 384.427 0.849 20 0 GCADMP C[N@@H+](CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000430593956 1185658027 /nfs/dbraw/zinc/65/80/27/1185658027.db2.gz QCNPYUOXVUQSLT-UHFFFAOYSA-N 2 1 383.514 0.770 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCN1CCc2ccccc21 ZINC000430597457 1185675054 /nfs/dbraw/zinc/67/50/54/1185675054.db2.gz AIHHLIAVIQHYFB-IBGZPJMESA-N 2 1 399.539 0.309 20 0 GCADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606008 1185700285 /nfs/dbraw/zinc/70/02/85/1185700285.db2.gz VEVDTSRTINSEKG-ZBFHGGJFSA-N 2 1 394.491 0.968 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000581502554 1185730455 /nfs/dbraw/zinc/73/04/55/1185730455.db2.gz UGPMMBFYUGGGML-GOSISDBHSA-N 2 1 392.544 0.834 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N[C@@H]1CCOc2ccccc21 ZINC000430611000 1185752620 /nfs/dbraw/zinc/75/26/20/1185752620.db2.gz NBNOWRJVQSLTPA-SJLPKXTDSA-N 2 1 386.496 0.770 20 0 GCADMP CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350472 1185755682 /nfs/dbraw/zinc/75/56/82/1185755682.db2.gz HRQVFYGOFIBWSO-JKSUJKDBSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350472 1185755686 /nfs/dbraw/zinc/75/56/86/1185755686.db2.gz HRQVFYGOFIBWSO-JKSUJKDBSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)C2)cc(=O)[nH]1 ZINC000276350472 1185755691 /nfs/dbraw/zinc/75/56/91/1185755691.db2.gz HRQVFYGOFIBWSO-JKSUJKDBSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@@H]2CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc(=O)[nH]1 ZINC000276350472 1185755695 /nfs/dbraw/zinc/75/56/95/1185755695.db2.gz HRQVFYGOFIBWSO-JKSUJKDBSA-N 2 1 391.520 0.558 20 0 GCADMP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430612670 1185766216 /nfs/dbraw/zinc/76/62/16/1185766216.db2.gz SWNGNQDPVDFWBP-MRXNPFEDSA-N 2 1 395.525 0.613 20 0 GCADMP CS(=O)(=O)c1ccc(OCC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430612670 1185766219 /nfs/dbraw/zinc/76/62/19/1185766219.db2.gz SWNGNQDPVDFWBP-MRXNPFEDSA-N 2 1 395.525 0.613 20 0 GCADMP CC[NH2+]CC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000564453029 1185768368 /nfs/dbraw/zinc/76/83/68/1185768368.db2.gz PDNRYTIAPSJWMG-UHFFFAOYSA-N 2 1 379.505 0.289 20 0 GCADMP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614943 1185770088 /nfs/dbraw/zinc/77/00/88/1185770088.db2.gz ANXDAKAQJYOEPZ-QRVBRYPASA-N 2 1 394.560 0.842 20 0 GCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430616800 1185783901 /nfs/dbraw/zinc/78/39/01/1185783901.db2.gz HXEUBVBQQGCECQ-CQSZACIVSA-N 2 1 378.439 0.930 20 0 GCADMP CC(C)N(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430616800 1185783906 /nfs/dbraw/zinc/78/39/06/1185783906.db2.gz HXEUBVBQQGCECQ-CQSZACIVSA-N 2 1 378.439 0.930 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000625603982 1185795636 /nfs/dbraw/zinc/79/56/36/1185795636.db2.gz BORWXGUPTNXVFA-QZTJIDSGSA-N 2 1 392.544 0.642 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000430621794 1185797527 /nfs/dbraw/zinc/79/75/27/1185797527.db2.gz KEMQXTVIWPNIOB-LSDHHAIUSA-N 2 1 390.450 0.931 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccc2nsnc21 ZINC000430621362 1185799498 /nfs/dbraw/zinc/79/94/98/1185799498.db2.gz JCTOGYMNHCAARS-ZDUSSCGKSA-N 2 1 388.497 0.774 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1cccc2nsnc21 ZINC000430621362 1185799505 /nfs/dbraw/zinc/79/95/05/1185799505.db2.gz JCTOGYMNHCAARS-ZDUSSCGKSA-N 2 1 388.497 0.774 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642808242 1185805113 /nfs/dbraw/zinc/80/51/13/1185805113.db2.gz UMBWRRQUPLYVEK-IPELMVKDSA-N 2 1 388.512 0.588 20 0 GCADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624096 1185808470 /nfs/dbraw/zinc/80/84/70/1185808470.db2.gz IBOULLZTEPFBLR-IBGZPJMESA-N 2 1 388.512 0.593 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000430632679 1185821907 /nfs/dbraw/zinc/82/19/07/1185821907.db2.gz ZAPYDTANZAFCHY-MRXNPFEDSA-N 2 1 392.475 0.465 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430638723 1185841968 /nfs/dbraw/zinc/84/19/68/1185841968.db2.gz DCXCGQNMFRTSLW-GOSISDBHSA-N 2 1 388.512 0.797 20 0 GCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430641929 1185846819 /nfs/dbraw/zinc/84/68/19/1185846819.db2.gz JPEIGVUMEWJMCM-UONOGXRCSA-N 2 1 376.457 0.572 20 0 GCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642786 1185850182 /nfs/dbraw/zinc/85/01/82/1185850182.db2.gz KWTUIIKVIHPRRX-CQSZACIVSA-N 2 1 387.484 0.537 20 0 GCADMP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430642786 1185850197 /nfs/dbraw/zinc/85/01/97/1185850197.db2.gz KWTUIIKVIHPRRX-CQSZACIVSA-N 2 1 387.484 0.537 20 0 GCADMP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642393 1185855069 /nfs/dbraw/zinc/85/50/69/1185855069.db2.gz KECOPALFPDDIKA-FUHWJXTLSA-N 2 1 386.496 0.944 20 0 GCADMP COCc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430645739 1185859806 /nfs/dbraw/zinc/85/98/06/1185859806.db2.gz OFSZONJYAYVFSO-GOSISDBHSA-N 2 1 388.512 0.593 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000581716599 1185863327 /nfs/dbraw/zinc/86/33/27/1185863327.db2.gz HUZFBEBXVSFSAF-HOTGVXAUSA-N 2 1 393.557 0.269 20 0 GCADMP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650120 1185866850 /nfs/dbraw/zinc/86/68/50/1185866850.db2.gz JZZZECRIJCRUKA-RDJZCZTQSA-N 2 1 376.476 0.974 20 0 GCADMP [NH3+]CC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000430652891 1185873568 /nfs/dbraw/zinc/87/35/68/1185873568.db2.gz XYQOZVNYIWIFBV-UHFFFAOYSA-N 2 1 396.513 0.317 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891482577 1185886700 /nfs/dbraw/zinc/88/67/00/1185886700.db2.gz KBZJSVDUTDSXKH-RTBURBONSA-N 2 1 387.528 0.943 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430658400 1185900046 /nfs/dbraw/zinc/90/00/46/1185900046.db2.gz XKJASKGXNHGVAJ-ZWKOTPCHSA-N 2 1 387.528 0.416 20 0 GCADMP COc1cccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430660673 1185903100 /nfs/dbraw/zinc/90/31/00/1185903100.db2.gz DPGPOBCESFXXPF-SFHVURJKSA-N 2 1 388.512 0.797 20 0 GCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891536897 1185910264 /nfs/dbraw/zinc/91/02/64/1185910264.db2.gz WYDZIGCTTSSNIV-HNKHHVNMSA-N 2 1 376.461 0.404 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C2)CC1 ZINC000891558983 1185918629 /nfs/dbraw/zinc/91/86/29/1185918629.db2.gz CKJRYCSOHYJYTF-YDHLFZDLSA-N 2 1 377.455 0.934 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)C2)CC1 ZINC000891558983 1185918631 /nfs/dbraw/zinc/91/86/31/1185918631.db2.gz CKJRYCSOHYJYTF-YDHLFZDLSA-N 2 1 377.455 0.934 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559236 1185919186 /nfs/dbraw/zinc/91/91/86/1185919186.db2.gz CXWBDIMSGDWGQV-AEFFLSMTSA-N 2 1 379.549 0.613 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559236 1185919190 /nfs/dbraw/zinc/91/91/90/1185919190.db2.gz CXWBDIMSGDWGQV-AEFFLSMTSA-N 2 1 379.549 0.613 20 0 GCADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563300 1185921932 /nfs/dbraw/zinc/92/19/32/1185921932.db2.gz CQYOPBZNJAIPAZ-XLIONFOSSA-N 2 1 381.565 0.799 20 0 GCADMP COc1ccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430666363 1185931914 /nfs/dbraw/zinc/93/19/14/1185931914.db2.gz NUURKNFOAJZRAO-ZDUSSCGKSA-N 2 1 377.445 0.130 20 0 GCADMP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668346 1185943456 /nfs/dbraw/zinc/94/34/56/1185943456.db2.gz RCSIHLHRBNBKCH-JKSUJKDBSA-N 2 1 399.495 0.504 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000581937799 1185998107 /nfs/dbraw/zinc/99/81/07/1185998107.db2.gz RHHQSACJKWVKSC-APAFKAMOSA-N 2 1 391.560 0.199 20 0 GCADMP C[C@H](CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000430865975 1186042806 /nfs/dbraw/zinc/04/28/06/1186042806.db2.gz PMVNXCJHKPZDQC-HZPDHXFCSA-N 2 1 376.505 0.621 20 0 GCADMP C[N@@H+](CCOc1cccc(CNC(=O)COC2C[NH2+]C2)c1)C1CCOCC1 ZINC000430899678 1186050264 /nfs/dbraw/zinc/05/02/64/1186050264.db2.gz JRPVBNRGJRIVKD-UHFFFAOYSA-N 2 1 377.485 0.781 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000430959147 1186067740 /nfs/dbraw/zinc/06/77/40/1186067740.db2.gz WTRSVFUTPGPLQX-DLBZAZTESA-N 2 1 394.541 0.497 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000430959147 1186067747 /nfs/dbraw/zinc/06/77/47/1186067747.db2.gz WTRSVFUTPGPLQX-DLBZAZTESA-N 2 1 394.541 0.497 20 0 GCADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000430952719 1186068685 /nfs/dbraw/zinc/06/86/85/1186068685.db2.gz FIEFVUPURHEKBZ-UHFFFAOYSA-N 2 1 398.529 0.815 20 0 GCADMP CC[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000562947781 1186068817 /nfs/dbraw/zinc/06/88/17/1186068817.db2.gz SBBTYGZWVZVIIJ-MSOLQXFVSA-N 2 1 380.533 0.642 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865449 1186107161 /nfs/dbraw/zinc/10/71/61/1186107161.db2.gz PGTRIXDWIGWRNF-WCVJEAGWSA-N 2 1 379.505 0.683 20 0 GCADMP COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000684574430 1186173174 /nfs/dbraw/zinc/17/31/74/1186173174.db2.gz XPLRVOPVQFDADF-MRXNPFEDSA-N 2 1 387.550 0.451 20 0 GCADMP COCC[N@H+]1CCC[C@@H](NS(=O)(=O)c2c(C)nn(CC[NH+](C)C)c2C)C1 ZINC000684574430 1186173175 /nfs/dbraw/zinc/17/31/75/1186173175.db2.gz XPLRVOPVQFDADF-MRXNPFEDSA-N 2 1 387.550 0.451 20 0 GCADMP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891954521 1186200889 /nfs/dbraw/zinc/20/08/89/1186200889.db2.gz WTEHRHCEZIVRQX-CQSZACIVSA-N 2 1 376.448 0.412 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891968148 1186259779 /nfs/dbraw/zinc/25/97/79/1186259779.db2.gz GLRKVOFUERBKPZ-FQEVSTJZSA-N 2 1 389.544 0.790 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891968148 1186259785 /nfs/dbraw/zinc/25/97/85/1186259785.db2.gz GLRKVOFUERBKPZ-FQEVSTJZSA-N 2 1 389.544 0.790 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891968151 1186259830 /nfs/dbraw/zinc/25/98/30/1186259830.db2.gz GLRKVOFUERBKPZ-HXUWFJFHSA-N 2 1 389.544 0.790 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000891968151 1186259834 /nfs/dbraw/zinc/25/98/34/1186259834.db2.gz GLRKVOFUERBKPZ-HXUWFJFHSA-N 2 1 389.544 0.790 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972911 1186270987 /nfs/dbraw/zinc/27/09/87/1186270987.db2.gz MRPAIAIGOXSUOJ-LJQANCHMSA-N 2 1 375.517 0.400 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000891972911 1186270990 /nfs/dbraw/zinc/27/09/90/1186270990.db2.gz MRPAIAIGOXSUOJ-LJQANCHMSA-N 2 1 375.517 0.400 20 0 GCADMP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007921 1186305711 /nfs/dbraw/zinc/30/57/11/1186305711.db2.gz COEVSJYGEVUDMF-OALUTQOASA-N 2 1 381.565 0.990 20 0 GCADMP [NH3+][C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1)c1ccccc1 ZINC000892030311 1186312167 /nfs/dbraw/zinc/31/21/67/1186312167.db2.gz GORXAFPNQNXLOV-MOPGFXCFSA-N 2 1 375.517 0.782 20 0 GCADMP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153031 1186313651 /nfs/dbraw/zinc/31/36/51/1186313651.db2.gz MDUMVDRPONDTJU-INIZCTEOSA-N 2 1 375.469 0.996 20 0 GCADMP CCC(CC)(C[NH3+])C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000563159624 1186316382 /nfs/dbraw/zinc/31/63/82/1186316382.db2.gz FXZXLLATWDFIKP-UHFFFAOYSA-N 2 1 381.565 0.448 20 0 GCADMP [NH3+]Cc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)c(F)c1 ZINC000653223234 1186372972 /nfs/dbraw/zinc/37/29/72/1186372972.db2.gz GEOLJUSBFSZHSN-SFHVURJKSA-N 2 1 392.475 0.614 20 0 GCADMP [NH3+]Cc1ccc(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)c(F)c1 ZINC000653223233 1186373064 /nfs/dbraw/zinc/37/30/64/1186373064.db2.gz GEOLJUSBFSZHSN-GOSISDBHSA-N 2 1 392.475 0.614 20 0 GCADMP O=C(N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156988 1186380059 /nfs/dbraw/zinc/38/00/59/1186380059.db2.gz UGXPMUFRRVYQIE-GJZGRUSLSA-N 2 1 375.464 0.079 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000892168408 1186392452 /nfs/dbraw/zinc/39/24/52/1186392452.db2.gz JBGWRZHNOVXTLC-OALUTQOASA-N 2 1 376.501 0.874 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000892168408 1186392458 /nfs/dbraw/zinc/39/24/58/1186392458.db2.gz JBGWRZHNOVXTLC-OALUTQOASA-N 2 1 376.501 0.874 20 0 GCADMP CC(C)C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000511077056 1186418009 /nfs/dbraw/zinc/41/80/09/1186418009.db2.gz RIQMNXAAARZASW-ROUUACIJSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H](c1ccc(NC(=O)C(=O)NCC[N@H+](C)CCO)cc1)[NH+]1CCOCC1 ZINC000892219571 1186460740 /nfs/dbraw/zinc/46/07/40/1186460740.db2.gz SXDZVFMNSKSMSP-OAHLLOKOSA-N 2 1 378.473 0.059 20 0 GCADMP C[C@H](c1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)cc1)[NH+]1CCOCC1 ZINC000892219571 1186460744 /nfs/dbraw/zinc/46/07/44/1186460744.db2.gz SXDZVFMNSKSMSP-OAHLLOKOSA-N 2 1 378.473 0.059 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511094662 1186476351 /nfs/dbraw/zinc/47/63/51/1186476351.db2.gz YULUOMMPBUAHFN-MRXNPFEDSA-N 2 1 388.578 0.579 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CN(C)S(C)(=O)=O)C2)CC1 ZINC000511094662 1186476354 /nfs/dbraw/zinc/47/63/54/1186476354.db2.gz YULUOMMPBUAHFN-MRXNPFEDSA-N 2 1 388.578 0.579 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000582257564 1186476624 /nfs/dbraw/zinc/47/66/24/1186476624.db2.gz FWXDRCBDAOCKQM-ZWKOTPCHSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCOCC1 ZINC000582257564 1186476627 /nfs/dbraw/zinc/47/66/27/1186476627.db2.gz FWXDRCBDAOCKQM-ZWKOTPCHSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000582256239 1186476653 /nfs/dbraw/zinc/47/66/53/1186476653.db2.gz KCKFZCPLHZQPTQ-OALUTQOASA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000582256239 1186476657 /nfs/dbraw/zinc/47/66/57/1186476657.db2.gz KCKFZCPLHZQPTQ-OALUTQOASA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000582256239 1186476661 /nfs/dbraw/zinc/47/66/61/1186476661.db2.gz KCKFZCPLHZQPTQ-OALUTQOASA-N 2 1 395.592 0.613 20 0 GCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582357907 1186502661 /nfs/dbraw/zinc/50/26/61/1186502661.db2.gz VDMLBQDXKDWERE-KRWDZBQOSA-N 2 1 398.515 0.367 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582360842 1186503364 /nfs/dbraw/zinc/50/33/64/1186503364.db2.gz UGINYCKWRGDATH-SJORKVTESA-N 2 1 394.541 0.314 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@@H](C)O1 ZINC000582434370 1186530937 /nfs/dbraw/zinc/53/09/37/1186530937.db2.gz RVDVSUGTGLEEEB-BRSBDYLESA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@@H](C)O1 ZINC000582434370 1186530938 /nfs/dbraw/zinc/53/09/38/1186530938.db2.gz RVDVSUGTGLEEEB-BRSBDYLESA-N 2 1 394.560 0.933 20 0 GCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980446 1186567650 /nfs/dbraw/zinc/56/76/50/1186567650.db2.gz BZLHPUHJDWFVNM-VQTJNVASSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980446 1186567653 /nfs/dbraw/zinc/56/76/53/1186567653.db2.gz BZLHPUHJDWFVNM-VQTJNVASSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000888980446 1186567654 /nfs/dbraw/zinc/56/76/54/1186567654.db2.gz BZLHPUHJDWFVNM-VQTJNVASSA-N 2 1 390.576 0.940 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000125412656 1186587427 /nfs/dbraw/zinc/58/74/27/1186587427.db2.gz UHLFFOSXRIOLCV-IYBDPMFKSA-N 2 1 378.521 0.867 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582670425 1186605019 /nfs/dbraw/zinc/60/50/19/1186605019.db2.gz YBQGOQGOQIANEH-XLIONFOSSA-N 2 1 389.519 0.842 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1)CN1CC[NH+](C)CC1 ZINC000582680704 1186608009 /nfs/dbraw/zinc/60/80/09/1186608009.db2.gz LRECSKAJIOBUDS-QZTJIDSGSA-N 2 1 379.549 0.073 20 0 GCADMP C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656111 1186626097 /nfs/dbraw/zinc/62/60/97/1186626097.db2.gz XGPXVQPVCNSTEV-MOPGFXCFSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656111 1186626101 /nfs/dbraw/zinc/62/61/01/1186626101.db2.gz XGPXVQPVCNSTEV-MOPGFXCFSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656111 1186626108 /nfs/dbraw/zinc/62/61/08/1186626108.db2.gz XGPXVQPVCNSTEV-MOPGFXCFSA-N 2 1 380.581 0.291 20 0 GCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C(=O)N[C@@]3(CCC[NH2+]C3)C2=O)CC1 ZINC000582723920 1186626365 /nfs/dbraw/zinc/62/63/65/1186626365.db2.gz SCFFTNGHUURLIV-OAQYLSRUSA-N 2 1 399.495 0.313 20 0 GCADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC12CCOCC2 ZINC000582730956 1186631204 /nfs/dbraw/zinc/63/12/04/1186631204.db2.gz PHILFFAMAZMSCH-KRWDZBQOSA-N 2 1 388.516 0.203 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1c(F)cccc1F ZINC000582935232 1186733474 /nfs/dbraw/zinc/73/34/74/1186733474.db2.gz FCRIEZVAZNQKGV-UHFFFAOYSA-N 2 1 392.472 0.195 20 0 GCADMP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000867443027 1186743048 /nfs/dbraw/zinc/74/30/48/1186743048.db2.gz ADELWXQVXMEVJH-UHFFFAOYSA-N 2 1 380.533 0.357 20 0 GCADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1NC(=O)C(=O)NC1C[NH2+]C1 ZINC000583012390 1186747723 /nfs/dbraw/zinc/74/77/23/1186747723.db2.gz SNIKYQDWMQBZCF-QGZVFWFLSA-N 2 1 382.468 0.665 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000583042367 1186755193 /nfs/dbraw/zinc/75/51/93/1186755193.db2.gz MRQPLMBBQUBGNA-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000583042367 1186755195 /nfs/dbraw/zinc/75/51/95/1186755195.db2.gz MRQPLMBBQUBGNA-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1F ZINC000583095959 1186769027 /nfs/dbraw/zinc/76/90/27/1186769027.db2.gz XAKMZKQUCHJCAE-GDBMZVCRSA-N 2 1 386.431 0.773 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000583095961 1186769036 /nfs/dbraw/zinc/76/90/36/1186769036.db2.gz XAKMZKQUCHJCAE-HOCLYGCPSA-N 2 1 386.431 0.773 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCCN2CC[NH+](C)CC2)C1 ZINC000685080858 1186773181 /nfs/dbraw/zinc/77/31/81/1186773181.db2.gz RLWSEHCGPRTYKK-IBGZPJMESA-N 2 1 395.592 0.567 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000685080858 1186773185 /nfs/dbraw/zinc/77/31/85/1186773185.db2.gz RLWSEHCGPRTYKK-IBGZPJMESA-N 2 1 395.592 0.567 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)C1 ZINC000685080858 1186773191 /nfs/dbraw/zinc/77/31/91/1186773191.db2.gz RLWSEHCGPRTYKK-IBGZPJMESA-N 2 1 395.592 0.567 20 0 GCADMP O=C([C@@H]1CCC[N@H+]1C1CCOCC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000583142705 1186779930 /nfs/dbraw/zinc/77/99/30/1186779930.db2.gz IYACVLRGIULPJC-WMZOPIPTSA-N 2 1 378.517 0.300 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@H]4CCCO4)CC3)CC[C@@H]21 ZINC000657741355 1186793860 /nfs/dbraw/zinc/79/38/60/1186793860.db2.gz JRNWDAVLYSYRDQ-KURKYZTESA-N 2 1 378.517 0.252 20 0 GCADMP CCn1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)ccc1=O ZINC000124602754 1186798862 /nfs/dbraw/zinc/79/88/62/1186798862.db2.gz FIMLPGUFSIVMMI-QGZVFWFLSA-N 2 1 391.516 0.681 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000583222009 1186799937 /nfs/dbraw/zinc/79/99/37/1186799937.db2.gz SVDRJRZPRTZZAR-FJIDUMEYSA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000583222009 1186799939 /nfs/dbraw/zinc/79/99/39/1186799939.db2.gz SVDRJRZPRTZZAR-FJIDUMEYSA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000583222009 1186799944 /nfs/dbraw/zinc/79/99/44/1186799944.db2.gz SVDRJRZPRTZZAR-FJIDUMEYSA-N 2 1 382.549 0.839 20 0 GCADMP CCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000124658144 1186800125 /nfs/dbraw/zinc/80/01/25/1186800125.db2.gz ADMWFJOZXGECRJ-INIZCTEOSA-N 2 1 378.521 0.796 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H](C)C1 ZINC000583222011 1186800152 /nfs/dbraw/zinc/80/01/52/1186800152.db2.gz SVDRJRZPRTZZAR-TVFCKZIOSA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H](C)C1 ZINC000583222011 1186800153 /nfs/dbraw/zinc/80/01/53/1186800153.db2.gz SVDRJRZPRTZZAR-TVFCKZIOSA-N 2 1 382.549 0.839 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H](C)C1 ZINC000583222011 1186800156 /nfs/dbraw/zinc/80/01/56/1186800156.db2.gz SVDRJRZPRTZZAR-TVFCKZIOSA-N 2 1 382.549 0.839 20 0 GCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458450442 1186807724 /nfs/dbraw/zinc/80/77/24/1186807724.db2.gz ZNFIWVLBISTZIS-KRWDZBQOSA-N 2 1 396.580 0.289 20 0 GCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458450442 1186807726 /nfs/dbraw/zinc/80/77/26/1186807726.db2.gz ZNFIWVLBISTZIS-KRWDZBQOSA-N 2 1 396.580 0.289 20 0 GCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000458450442 1186807728 /nfs/dbraw/zinc/80/77/28/1186807728.db2.gz ZNFIWVLBISTZIS-KRWDZBQOSA-N 2 1 396.580 0.289 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000583276514 1186814551 /nfs/dbraw/zinc/81/45/51/1186814551.db2.gz DULQAJMHEXOWFW-FGTMMUONSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000583276514 1186814555 /nfs/dbraw/zinc/81/45/55/1186814555.db2.gz DULQAJMHEXOWFW-FGTMMUONSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000583276514 1186814560 /nfs/dbraw/zinc/81/45/60/1186814560.db2.gz DULQAJMHEXOWFW-FGTMMUONSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000583276516 1186815042 /nfs/dbraw/zinc/81/50/42/1186815042.db2.gz DULQAJMHEXOWFW-KZNAEPCWSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583320450 1186826140 /nfs/dbraw/zinc/82/61/40/1186826140.db2.gz UWZPLGRIVNATDL-YTQUADARSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583320450 1186826146 /nfs/dbraw/zinc/82/61/46/1186826146.db2.gz UWZPLGRIVNATDL-YTQUADARSA-N 2 1 388.512 0.650 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000156020311 1186838837 /nfs/dbraw/zinc/83/88/37/1186838837.db2.gz WJKSGXVUHYSBJY-WBVHZDCISA-N 2 1 388.516 0.859 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405023 1186846751 /nfs/dbraw/zinc/84/67/51/1186846751.db2.gz VDLFADYCPJVLIM-ROUUACIJSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405023 1186846758 /nfs/dbraw/zinc/84/67/58/1186846758.db2.gz VDLFADYCPJVLIM-ROUUACIJSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405023 1186846763 /nfs/dbraw/zinc/84/67/63/1186846763.db2.gz VDLFADYCPJVLIM-ROUUACIJSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000583405023 1186846769 /nfs/dbraw/zinc/84/67/69/1186846769.db2.gz VDLFADYCPJVLIM-ROUUACIJSA-N 2 1 396.576 0.774 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000583430448 1186853333 /nfs/dbraw/zinc/85/33/33/1186853333.db2.gz ZIIRFLFYYSIUNH-INIZCTEOSA-N 2 1 395.548 0.482 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000583441006 1186855534 /nfs/dbraw/zinc/85/55/34/1186855534.db2.gz IGUARVYXQAAGCK-GOSISDBHSA-N 2 1 388.512 0.640 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000583511591 1186875609 /nfs/dbraw/zinc/87/56/09/1186875609.db2.gz OGTIQMWOWVQFHP-MOPGFXCFSA-N 2 1 388.512 0.257 20 0 GCADMP C[C@H](C(=O)N1CCC(C(N)=O)CC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245387276 1186877335 /nfs/dbraw/zinc/87/73/35/1186877335.db2.gz VYHKJTWAXXTGBE-IXDOHACOSA-N 2 1 394.560 0.920 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000583670046 1186915600 /nfs/dbraw/zinc/91/56/00/1186915600.db2.gz HXVNVDAGWSGDDB-SJORKVTESA-N 2 1 388.516 1.174 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000583693276 1186918722 /nfs/dbraw/zinc/91/87/22/1186918722.db2.gz INQWWKCWGHVPSB-LSDHHAIUSA-N 2 1 389.500 0.184 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000670709251 1186923122 /nfs/dbraw/zinc/92/31/22/1186923122.db2.gz JLMSLLKDCNHTMI-SFHVURJKSA-N 2 1 393.576 0.509 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000670709251 1186923123 /nfs/dbraw/zinc/92/31/23/1186923123.db2.gz JLMSLLKDCNHTMI-SFHVURJKSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C[C@H](C)[N@@H+]1CCO ZINC000458662796 1186930509 /nfs/dbraw/zinc/93/05/09/1186930509.db2.gz URFQBTPGGFJGBM-FUHIMQAGSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[C@H](C)[NH+]1CCO ZINC000458662796 1186930510 /nfs/dbraw/zinc/93/05/10/1186930510.db2.gz URFQBTPGGFJGBM-FUHIMQAGSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C[C@H](C)[NH+]1CCO ZINC000458662796 1186930511 /nfs/dbraw/zinc/93/05/11/1186930511.db2.gz URFQBTPGGFJGBM-FUHIMQAGSA-N 2 1 390.528 0.850 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000583984816 1186972962 /nfs/dbraw/zinc/97/29/62/1186972962.db2.gz WPFBAKVRBVLLNG-HUUCEWRRSA-N 2 1 379.530 0.021 20 0 GCADMP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458768228 1186982427 /nfs/dbraw/zinc/98/24/27/1186982427.db2.gz DXBVIAOWOWSCHH-KRWDZBQOSA-N 2 1 379.505 0.668 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1 ZINC000584080725 1186995750 /nfs/dbraw/zinc/99/57/50/1186995750.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1=CC[NH+](C)CC1 ZINC000584080725 1186995754 /nfs/dbraw/zinc/99/57/54/1186995754.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1=CC[NH+](C)CC1 ZINC000584080725 1186995756 /nfs/dbraw/zinc/99/57/56/1186995756.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1=CC[N@H+](C)CC1 ZINC000584080725 1186995759 /nfs/dbraw/zinc/99/57/59/1186995759.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1=CC[N@@H+](C)CC1 ZINC000584080725 1186995762 /nfs/dbraw/zinc/99/57/62/1186995762.db2.gz PNNYBCBFDXAIHZ-INIZCTEOSA-N 2 1 379.549 0.237 20 0 GCADMP C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)C[C@H]1[NH3+] ZINC000584219934 1187016226 /nfs/dbraw/zinc/01/62/26/1187016226.db2.gz UTMHOKNPQHGPLO-RHSMWYFYSA-N 2 1 395.529 0.824 20 0 GCADMP C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)C[C@H]1[NH3+] ZINC000584219934 1187016228 /nfs/dbraw/zinc/01/62/28/1187016228.db2.gz UTMHOKNPQHGPLO-RHSMWYFYSA-N 2 1 395.529 0.824 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276386 1187017465 /nfs/dbraw/zinc/01/74/65/1187017465.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276386 1187017468 /nfs/dbraw/zinc/01/74/68/1187017468.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276386 1187017471 /nfs/dbraw/zinc/01/74/71/1187017471.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276386 1187017473 /nfs/dbraw/zinc/01/74/73/1187017473.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276386 1187017476 /nfs/dbraw/zinc/01/74/76/1187017476.db2.gz OABCXHMBRWRYND-MDZRGWNJSA-N 2 1 391.560 0.355 20 0 GCADMP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000584341526 1187036681 /nfs/dbraw/zinc/03/66/81/1187036681.db2.gz VEFZNEXQKFTDIS-UHFFFAOYSA-N 2 1 389.544 0.506 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000611840125 1187047155 /nfs/dbraw/zinc/04/71/55/1187047155.db2.gz ZTARILXRHDSGAT-IAGOWNOFSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562828495 1187050847 /nfs/dbraw/zinc/05/08/47/1187050847.db2.gz YUIKFCXWAFKHQH-QFBILLFUSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@H](NC(=O)C(=O)NCCC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562828495 1187050850 /nfs/dbraw/zinc/05/08/50/1187050850.db2.gz YUIKFCXWAFKHQH-QFBILLFUSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC001023694410 1187071494 /nfs/dbraw/zinc/07/14/94/1187071494.db2.gz XACYQSBQZYFDDB-BSDSXHPESA-N 2 1 380.533 0.137 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000657870695 1187078735 /nfs/dbraw/zinc/07/87/35/1187078735.db2.gz RJSGSRMBBAEOGT-SFHVURJKSA-N 2 1 385.512 0.921 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@H+](C)CCO1 ZINC000685342084 1187108428 /nfs/dbraw/zinc/10/84/28/1187108428.db2.gz VYQHBSXMANTQIW-QAPCUYQASA-N 2 1 394.491 0.551 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342084 1187108429 /nfs/dbraw/zinc/10/84/29/1187108429.db2.gz VYQHBSXMANTQIW-QAPCUYQASA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343891 1187108945 /nfs/dbraw/zinc/10/89/45/1187108945.db2.gz PRRZARCURHVBHQ-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343891 1187108952 /nfs/dbraw/zinc/10/89/52/1187108952.db2.gz PRRZARCURHVBHQ-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343890 1187109317 /nfs/dbraw/zinc/10/93/17/1187109317.db2.gz PRRZARCURHVBHQ-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343890 1187109318 /nfs/dbraw/zinc/10/93/18/1187109318.db2.gz PRRZARCURHVBHQ-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C2)CC[N@@H+]1C ZINC001023748813 1187111094 /nfs/dbraw/zinc/11/10/94/1187111094.db2.gz DCNQUNKANTYZJW-YLFCFFPRSA-N 2 1 391.516 0.425 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C(C)C)C2)CC[N@H+]1C ZINC001023748813 1187111097 /nfs/dbraw/zinc/11/10/97/1187111097.db2.gz DCNQUNKANTYZJW-YLFCFFPRSA-N 2 1 391.516 0.425 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@@H]3CCC(C)(C)C[NH2+]3)CC2)CC1 ZINC000892392693 1187122197 /nfs/dbraw/zinc/12/21/97/1187122197.db2.gz HIVIULAGCFXLOM-KRWDZBQOSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443947 1187129169 /nfs/dbraw/zinc/12/91/69/1187129169.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443947 1187129172 /nfs/dbraw/zinc/12/91/72/1187129172.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443947 1187129177 /nfs/dbraw/zinc/12/91/77/1187129177.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443947 1187129179 /nfs/dbraw/zinc/12/91/79/1187129179.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 2 1 391.560 0.380 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443947 1187129182 /nfs/dbraw/zinc/12/91/82/1187129182.db2.gz GYGQFOMGBZUPLO-APWZRJJASA-N 2 1 391.560 0.380 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[NH+]3C3CC3)CC2)C1 ZINC000685501349 1187136801 /nfs/dbraw/zinc/13/68/01/1187136801.db2.gz XNSYVYYKVZIXDI-RBUKOAKNSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)C1 ZINC000685501349 1187136803 /nfs/dbraw/zinc/13/68/03/1187136803.db2.gz XNSYVYYKVZIXDI-RBUKOAKNSA-N 2 1 391.560 0.358 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)C1 ZINC000685501349 1187136806 /nfs/dbraw/zinc/13/68/06/1187136806.db2.gz XNSYVYYKVZIXDI-RBUKOAKNSA-N 2 1 391.560 0.358 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000685501644 1187137554 /nfs/dbraw/zinc/13/75/54/1187137554.db2.gz VRXRTLJCZPPSCT-NVXWUHKLSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1CC(C)(C)O ZINC000685501644 1187137557 /nfs/dbraw/zinc/13/75/57/1187137557.db2.gz VRXRTLJCZPPSCT-NVXWUHKLSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501644 1187137561 /nfs/dbraw/zinc/13/75/61/1187137561.db2.gz VRXRTLJCZPPSCT-NVXWUHKLSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501644 1187137564 /nfs/dbraw/zinc/13/75/64/1187137564.db2.gz VRXRTLJCZPPSCT-NVXWUHKLSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000685501646 1187138157 /nfs/dbraw/zinc/13/81/57/1187138157.db2.gz VRXRTLJCZPPSCT-WBVHZDCISA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1CC(C)(C)O ZINC000685501646 1187138162 /nfs/dbraw/zinc/13/81/62/1187138162.db2.gz VRXRTLJCZPPSCT-WBVHZDCISA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501646 1187138165 /nfs/dbraw/zinc/13/81/65/1187138165.db2.gz VRXRTLJCZPPSCT-WBVHZDCISA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501646 1187138166 /nfs/dbraw/zinc/13/81/66/1187138166.db2.gz VRXRTLJCZPPSCT-WBVHZDCISA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000685519755 1187141781 /nfs/dbraw/zinc/14/17/81/1187141781.db2.gz PEEGNWNRJBCNPG-IYBDPMFKSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246880656 1187152243 /nfs/dbraw/zinc/15/22/43/1187152243.db2.gz DIACXPGTBSYKHF-MKXGPGLRSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246880656 1187152246 /nfs/dbraw/zinc/15/22/46/1187152246.db2.gz DIACXPGTBSYKHF-MKXGPGLRSA-N 2 1 394.560 0.885 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2O)CC[N@H+]1C ZINC001023967503 1187199639 /nfs/dbraw/zinc/19/96/39/1187199639.db2.gz CIKHCNPUSCEWJJ-UTRMSSBJSA-N 2 1 388.512 0.390 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000685683309 1187220025 /nfs/dbraw/zinc/22/00/25/1187220025.db2.gz HBRYWQVMKVVCMN-KRWDZBQOSA-N 2 1 396.557 0.839 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc(C[NH+](C)C)c3)C2)CC[N@H+]1C ZINC001024128527 1187258391 /nfs/dbraw/zinc/25/83/91/1187258391.db2.gz TWFQFGHKJQHFRV-UTRMSSBJSA-N 2 1 388.512 0.390 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000658776621 1187455947 /nfs/dbraw/zinc/45/59/47/1187455947.db2.gz BYCKNRFZCSHDCP-IBGZPJMESA-N 2 1 387.528 0.973 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658780905 1187460983 /nfs/dbraw/zinc/46/09/83/1187460983.db2.gz GUNJWINYDGGNFZ-IBGZPJMESA-N 2 1 393.576 0.558 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612442991 1187491498 /nfs/dbraw/zinc/49/14/98/1187491498.db2.gz BATMPEWWXPLESY-ZWKOTPCHSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612442991 1187491501 /nfs/dbraw/zinc/49/15/01/1187491501.db2.gz BATMPEWWXPLESY-ZWKOTPCHSA-N 2 1 392.544 0.690 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000612444058 1187491738 /nfs/dbraw/zinc/49/17/38/1187491738.db2.gz JUYJWWJUAOCTKI-KRWDZBQOSA-N 2 1 394.560 0.815 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612444058 1187491742 /nfs/dbraw/zinc/49/17/42/1187491742.db2.gz JUYJWWJUAOCTKI-KRWDZBQOSA-N 2 1 394.560 0.815 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612444058 1187491744 /nfs/dbraw/zinc/49/17/44/1187491744.db2.gz JUYJWWJUAOCTKI-KRWDZBQOSA-N 2 1 394.560 0.815 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000612445437 1187492629 /nfs/dbraw/zinc/49/26/29/1187492629.db2.gz LHOUACUEKWAILJ-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000612445437 1187492631 /nfs/dbraw/zinc/49/26/31/1187492631.db2.gz LHOUACUEKWAILJ-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445437 1187492633 /nfs/dbraw/zinc/49/26/33/1187492633.db2.gz LHOUACUEKWAILJ-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445437 1187492635 /nfs/dbraw/zinc/49/26/35/1187492635.db2.gz LHOUACUEKWAILJ-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612446808 1187493816 /nfs/dbraw/zinc/49/38/16/1187493816.db2.gz XLNFHDQJTLGPAP-GOSISDBHSA-N 2 1 393.576 0.606 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612446808 1187493817 /nfs/dbraw/zinc/49/38/17/1187493817.db2.gz XLNFHDQJTLGPAP-GOSISDBHSA-N 2 1 393.576 0.606 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612446808 1187493823 /nfs/dbraw/zinc/49/38/23/1187493823.db2.gz XLNFHDQJTLGPAP-GOSISDBHSA-N 2 1 393.576 0.606 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484980 1187505356 /nfs/dbraw/zinc/50/53/56/1187505356.db2.gz JULIZUAPLNIAAF-RTBURBONSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000612484359 1187505712 /nfs/dbraw/zinc/50/57/12/1187505712.db2.gz GMGLFSYQFLZDAW-KRWDZBQOSA-N 2 1 382.549 0.528 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612484288 1187505731 /nfs/dbraw/zinc/50/57/31/1187505731.db2.gz AGKDEBIIAJLAGH-ZWKOTPCHSA-N 2 1 380.533 0.404 20 0 GCADMP O=C(NCC1CC[NH2+]CC1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000570068064 1187513205 /nfs/dbraw/zinc/51/32/05/1187513205.db2.gz BPSYTMFLEVRGLW-IBGZPJMESA-N 2 1 388.512 0.510 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548657 1187520725 /nfs/dbraw/zinc/52/07/25/1187520725.db2.gz PLBHYDAWUCYMMH-OTWHNJEPSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548657 1187520729 /nfs/dbraw/zinc/52/07/29/1187520729.db2.gz PLBHYDAWUCYMMH-OTWHNJEPSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000612548657 1187520733 /nfs/dbraw/zinc/52/07/33/1187520733.db2.gz PLBHYDAWUCYMMH-OTWHNJEPSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000612545538 1187521667 /nfs/dbraw/zinc/52/16/67/1187521667.db2.gz LAYAQPGYBGRCJP-LJQANCHMSA-N 2 1 394.560 0.938 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612547121 1187522708 /nfs/dbraw/zinc/52/27/08/1187522708.db2.gz ZVAAHORTGYOYPX-SFHVURJKSA-N 2 1 393.576 0.463 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595264 1187535459 /nfs/dbraw/zinc/53/54/59/1187535459.db2.gz FRBMXDXDXPOAIF-ZWKOTPCHSA-N 2 1 380.533 0.689 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612596723 1187537456 /nfs/dbraw/zinc/53/74/56/1187537456.db2.gz SJKGQPKZACHCGX-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000570162204 1187540252 /nfs/dbraw/zinc/54/02/52/1187540252.db2.gz BKDDEGVZZFNEDZ-SJORKVTESA-N 2 1 394.516 0.074 20 0 GCADMP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376077569 1187588912 /nfs/dbraw/zinc/58/89/12/1187588912.db2.gz BHGGSOQXGXCMRJ-MRXNPFEDSA-N 2 1 395.548 0.434 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000376077569 1187588914 /nfs/dbraw/zinc/58/89/14/1187588914.db2.gz BHGGSOQXGXCMRJ-MRXNPFEDSA-N 2 1 395.548 0.434 20 0 GCADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870432 1187608790 /nfs/dbraw/zinc/60/87/90/1187608790.db2.gz CVFRSHPEKGDKMN-JKSUJKDBSA-N 2 1 375.521 0.803 20 0 GCADMP C[N@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000612870431 1187608843 /nfs/dbraw/zinc/60/88/43/1187608843.db2.gz CVFRSHPEKGDKMN-HZPDHXFCSA-N 2 1 375.521 0.803 20 0 GCADMP C[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876645 1187609984 /nfs/dbraw/zinc/60/99/84/1187609984.db2.gz MNEPPKKHGWZNLO-HOTGVXAUSA-N 2 1 375.521 0.803 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880790 1187611086 /nfs/dbraw/zinc/61/10/86/1187611086.db2.gz JYQBCUQAULKCFT-CVEARBPZSA-N 2 1 387.532 0.945 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3c[nH+]ccc3N(C)C)C2)CC[N@H+]1C ZINC001024795871 1187624858 /nfs/dbraw/zinc/62/48/58/1187624858.db2.gz CERSJCKKOSCPCX-AAJLLMFJSA-N 2 1 389.500 0.179 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522096 1187664769 /nfs/dbraw/zinc/66/47/69/1187664769.db2.gz PNVZGBISFJRLFV-WOJBJXKFSA-N 2 1 393.576 0.786 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)CC2)CC1 ZINC000892522095 1187664848 /nfs/dbraw/zinc/66/48/48/1187664848.db2.gz PNVZGBISFJRLFV-VQTJNVASSA-N 2 1 393.576 0.786 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000892535125 1187710830 /nfs/dbraw/zinc/71/08/30/1187710830.db2.gz ARAGRJKRNOKAKY-QRQLOZEOSA-N 2 1 376.501 0.953 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000892535125 1187710832 /nfs/dbraw/zinc/71/08/32/1187710832.db2.gz ARAGRJKRNOKAKY-QRQLOZEOSA-N 2 1 376.501 0.953 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000892537051 1187712354 /nfs/dbraw/zinc/71/23/54/1187712354.db2.gz WQRYBQVHIRWVJN-OALUTQOASA-N 2 1 375.517 0.480 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000892537051 1187712358 /nfs/dbraw/zinc/71/23/58/1187712358.db2.gz WQRYBQVHIRWVJN-OALUTQOASA-N 2 1 375.517 0.480 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1 ZINC000173919245 1187742753 /nfs/dbraw/zinc/74/27/53/1187742753.db2.gz AIKPZQXGGJJZCV-GOSISDBHSA-N 2 1 386.500 0.985 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178179056 1187760179 /nfs/dbraw/zinc/76/01/79/1187760179.db2.gz XYWKTDLBXASQRC-CVEARBPZSA-N 2 1 376.505 0.637 20 0 GCADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892581905 1187791404 /nfs/dbraw/zinc/79/14/04/1187791404.db2.gz BLCYVYFJELNFEK-YJBOKZPZSA-N 2 1 379.526 0.987 20 0 GCADMP C[C@H](O)CN1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)[C@H](C)C1 ZINC000249266488 1187821414 /nfs/dbraw/zinc/82/14/14/1187821414.db2.gz IFXHMEUVINXSFZ-SJORKVTESA-N 2 1 380.558 0.779 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH+](C)[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658987243 1187831092 /nfs/dbraw/zinc/83/10/92/1187831092.db2.gz NJCUIVHCXPCYFE-OGWHTMIXSA-N 2 1 392.544 0.497 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000658989801 1187831951 /nfs/dbraw/zinc/83/19/51/1187831951.db2.gz ZGDGHHCOQABTFI-HNNXBMFYSA-N 2 1 399.455 0.412 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000658989801 1187831955 /nfs/dbraw/zinc/83/19/55/1187831955.db2.gz ZGDGHHCOQABTFI-HNNXBMFYSA-N 2 1 399.455 0.412 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC1 ZINC000659027314 1187846109 /nfs/dbraw/zinc/84/61/09/1187846109.db2.gz QFRHNDUYITWKGD-GOSISDBHSA-N 2 1 379.549 0.168 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000659027314 1187846115 /nfs/dbraw/zinc/84/61/15/1187846115.db2.gz QFRHNDUYITWKGD-GOSISDBHSA-N 2 1 379.549 0.168 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000659027314 1187846123 /nfs/dbraw/zinc/84/61/23/1187846123.db2.gz QFRHNDUYITWKGD-GOSISDBHSA-N 2 1 379.549 0.168 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000580120070 1187862595 /nfs/dbraw/zinc/86/25/95/1187862595.db2.gz QKLLUGRUIYDIAQ-GOSISDBHSA-N 2 1 382.549 0.791 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000580120070 1187862597 /nfs/dbraw/zinc/86/25/97/1187862597.db2.gz QKLLUGRUIYDIAQ-GOSISDBHSA-N 2 1 382.549 0.791 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000659096503 1187877319 /nfs/dbraw/zinc/87/73/19/1187877319.db2.gz CXXDLLFEKJTTBY-UHFFFAOYSA-N 2 1 389.500 0.137 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000105316735 1187879254 /nfs/dbraw/zinc/87/92/54/1187879254.db2.gz QVNYAOYRDDTKNK-FCGDIQPGSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000105316735 1187879257 /nfs/dbraw/zinc/87/92/57/1187879257.db2.gz QVNYAOYRDDTKNK-FCGDIQPGSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000105316735 1187879263 /nfs/dbraw/zinc/87/92/63/1187879263.db2.gz QVNYAOYRDDTKNK-FCGDIQPGSA-N 2 1 394.560 0.935 20 0 GCADMP CC(C)O[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000647558357 1187883560 /nfs/dbraw/zinc/88/35/60/1187883560.db2.gz GEHYTWVBANIBBO-ZWKOTPCHSA-N 2 1 380.533 0.639 20 0 GCADMP CC(C)O[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000647558357 1187883565 /nfs/dbraw/zinc/88/35/65/1187883565.db2.gz GEHYTWVBANIBBO-ZWKOTPCHSA-N 2 1 380.533 0.639 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000659110878 1187886392 /nfs/dbraw/zinc/88/63/92/1187886392.db2.gz DKXNCNBQPDFWLY-PBHICJAKSA-N 2 1 389.500 0.515 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659112750 1187889589 /nfs/dbraw/zinc/88/95/89/1187889589.db2.gz KYJRQMSMDFVNRE-DOTOQJQBSA-N 2 1 384.484 0.993 20 0 GCADMP CCCN(C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647568451 1187896314 /nfs/dbraw/zinc/89/63/14/1187896314.db2.gz MPWMBJQWNNVWDF-IBGZPJMESA-N 2 1 394.560 0.890 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000659132807 1187900379 /nfs/dbraw/zinc/90/03/79/1187900379.db2.gz GXZPFYHRDKEXJO-KRWDZBQOSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000659132807 1187900380 /nfs/dbraw/zinc/90/03/80/1187900380.db2.gz GXZPFYHRDKEXJO-KRWDZBQOSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH+]1CC(C)(C)O ZINC000659132807 1187900383 /nfs/dbraw/zinc/90/03/83/1187900383.db2.gz GXZPFYHRDKEXJO-KRWDZBQOSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+]1CC(C)(C)O ZINC000659132807 1187900384 /nfs/dbraw/zinc/90/03/84/1187900384.db2.gz GXZPFYHRDKEXJO-KRWDZBQOSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000647597782 1187906773 /nfs/dbraw/zinc/90/67/73/1187906773.db2.gz ORIBTNVGRCRECG-RRFJBIMHSA-N 2 1 381.546 0.395 20 0 GCADMP C[NH+](C)CCCN1C(=O)C[C@H]([N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)C1=O ZINC000647600972 1187908031 /nfs/dbraw/zinc/90/80/31/1187908031.db2.gz QRSMYAYDPKZDHF-MSOLQXFVSA-N 2 1 386.496 0.704 20 0 GCADMP CC[C@@H]1C[N@H+](C)CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647651116 1187956310 /nfs/dbraw/zinc/95/63/10/1187956310.db2.gz AGULHRDREZVVMX-QZTJIDSGSA-N 2 1 380.533 0.642 20 0 GCADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647651116 1187956311 /nfs/dbraw/zinc/95/63/11/1187956311.db2.gz AGULHRDREZVVMX-QZTJIDSGSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000659438491 1187958088 /nfs/dbraw/zinc/95/80/88/1187958088.db2.gz YVLIXGJDYSASLI-LLVKDONJSA-N 2 1 376.486 0.948 20 0 GCADMP C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCc2sccc2C1 ZINC000659438491 1187958092 /nfs/dbraw/zinc/95/80/92/1187958092.db2.gz YVLIXGJDYSASLI-LLVKDONJSA-N 2 1 376.486 0.948 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000659439885 1187958411 /nfs/dbraw/zinc/95/84/11/1187958411.db2.gz JXWXDEDGSOHZDX-HNNXBMFYSA-N 2 1 377.489 0.755 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659451752 1187960820 /nfs/dbraw/zinc/96/08/20/1187960820.db2.gz LJSNBXZNHRNCSD-RTBURBONSA-N 2 1 387.528 0.984 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)n1 ZINC000659607634 1187976080 /nfs/dbraw/zinc/97/60/80/1187976080.db2.gz CVXLITBGJXCLDT-ZIAGYGMSSA-N 2 1 376.461 0.084 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659611579 1187976622 /nfs/dbraw/zinc/97/66/22/1187976622.db2.gz SBYOGHYRLQCWML-RCCFBDPRSA-N 2 1 377.533 0.319 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H](C[NH3+])C1 ZINC000659672741 1187991260 /nfs/dbraw/zinc/99/12/60/1187991260.db2.gz AVYBGROWWYSQKR-SJORKVTESA-N 2 1 380.533 0.724 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC2)cs1 ZINC000659676070 1187994636 /nfs/dbraw/zinc/99/46/36/1187994636.db2.gz VQJXFCHQUBNAGA-ZDUSSCGKSA-N 2 1 381.546 0.758 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCCC3)c2)CCO1 ZINC000659684985 1187996420 /nfs/dbraw/zinc/99/64/20/1187996420.db2.gz MKKBFQCPJKMDDO-MRXNPFEDSA-N 2 1 388.512 0.911 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)NCC3([NH3+])CCCC3)c2)CCO1 ZINC000659684985 1187996422 /nfs/dbraw/zinc/99/64/22/1187996422.db2.gz MKKBFQCPJKMDDO-MRXNPFEDSA-N 2 1 388.512 0.911 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])[C@@H](C)C1 ZINC000659682254 1187998886 /nfs/dbraw/zinc/99/88/86/1187998886.db2.gz IGTGCMIQMCKLML-OWSLCNJRSA-N 2 1 382.549 0.825 20 0 GCADMP C[N@@H+](CCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)C1CCCCC1 ZINC000659697920 1188000027 /nfs/dbraw/zinc/00/00/27/1188000027.db2.gz LEXNHLAXVUJPNC-UHFFFAOYSA-N 2 1 378.477 0.028 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699815 1188004867 /nfs/dbraw/zinc/00/48/67/1188004867.db2.gz WLDKYLFGEORUEP-WMZOPIPTSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699815 1188004870 /nfs/dbraw/zinc/00/48/70/1188004870.db2.gz WLDKYLFGEORUEP-WMZOPIPTSA-N 2 1 388.512 0.780 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000415429395 1188079107 /nfs/dbraw/zinc/07/91/07/1188079107.db2.gz PZBGQDQFHRKARS-GOSISDBHSA-N 2 1 376.501 0.989 20 0 GCADMP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000892971333 1188080500 /nfs/dbraw/zinc/08/05/00/1188080500.db2.gz QJKMSIKBOBRXMV-GJZGRUSLSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000892971333 1188080505 /nfs/dbraw/zinc/08/05/05/1188080505.db2.gz QJKMSIKBOBRXMV-GJZGRUSLSA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000892971333 1188080510 /nfs/dbraw/zinc/08/05/10/1188080510.db2.gz QJKMSIKBOBRXMV-GJZGRUSLSA-N 2 1 375.521 0.636 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000415506276 1188093543 /nfs/dbraw/zinc/09/35/43/1188093543.db2.gz ZQODNMSJKCTVCT-KRWDZBQOSA-N 2 1 389.500 0.646 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021055 1188102657 /nfs/dbraw/zinc/10/26/57/1188102657.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021055 1188102659 /nfs/dbraw/zinc/10/26/59/1188102659.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021055 1188102661 /nfs/dbraw/zinc/10/26/61/1188102661.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021055 1188102663 /nfs/dbraw/zinc/10/26/63/1188102663.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021055 1188102664 /nfs/dbraw/zinc/10/26/64/1188102664.db2.gz CTVIKRDLCZKVHG-QXAKKESOSA-N 3 1 379.549 0.396 20 0 GCADMP CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CC[N@H+](C4CCN(C)CC4)C3)C2)nn1 ZINC000893023907 1188105573 /nfs/dbraw/zinc/10/55/73/1188105573.db2.gz ROWNXJAFYVSRPC-CQSZACIVSA-N 2 1 375.477 0.216 20 0 GCADMP CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CCN(C4CC[NH+](C)CC4)C3)C2)nn1 ZINC000893023907 1188105576 /nfs/dbraw/zinc/10/55/76/1188105576.db2.gz ROWNXJAFYVSRPC-CQSZACIVSA-N 2 1 375.477 0.216 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000415583884 1188111524 /nfs/dbraw/zinc/11/15/24/1188111524.db2.gz RUXNUBGAJHUVAZ-IAOVAPTHSA-N 2 1 387.484 0.711 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000377733594 1188122928 /nfs/dbraw/zinc/12/29/28/1188122928.db2.gz BIKXGPSJRBJCPE-RBUKOAKNSA-N 2 1 379.549 0.663 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000377733593 1188123034 /nfs/dbraw/zinc/12/30/34/1188123034.db2.gz BIKXGPSJRBJCPE-OALUTQOASA-N 2 1 379.549 0.663 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000377733595 1188123466 /nfs/dbraw/zinc/12/34/66/1188123466.db2.gz BIKXGPSJRBJCPE-RTBURBONSA-N 2 1 379.549 0.663 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@@H](C)O1 ZINC000415671895 1188137765 /nfs/dbraw/zinc/13/77/65/1188137765.db2.gz KLQNVDSBDHAMHE-AHCXZYCDSA-N 2 1 386.496 0.912 20 0 GCADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(C(N)=O)nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000893077649 1188137874 /nfs/dbraw/zinc/13/78/74/1188137874.db2.gz BNDXWAVQYVAKMK-BARDWOONSA-N 2 1 375.521 0.633 20 0 GCADMP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cc(C(N)=O)nc(N2C[C@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000893077649 1188137877 /nfs/dbraw/zinc/13/78/77/1188137877.db2.gz BNDXWAVQYVAKMK-BARDWOONSA-N 2 1 375.521 0.633 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000415671899 1188138122 /nfs/dbraw/zinc/13/81/22/1188138122.db2.gz KLQNVDSBDHAMHE-UOVPBQLFSA-N 2 1 386.496 0.912 20 0 GCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1)C1CC1 ZINC000415721960 1188151079 /nfs/dbraw/zinc/15/10/79/1188151079.db2.gz GPPPVZNIQWMJAR-FQEVSTJZSA-N 2 1 399.539 0.768 20 0 GCADMP CN(C(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1)C1C[NH2+]C1 ZINC000415729307 1188153096 /nfs/dbraw/zinc/15/30/96/1188153096.db2.gz BPSOSXYBXMJKBM-INIZCTEOSA-N 2 1 387.484 0.222 20 0 GCADMP CN(C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1C[NH2+]C1 ZINC000415749055 1188157038 /nfs/dbraw/zinc/15/70/38/1188157038.db2.gz YSOILJSTEFKQPI-UHFFFAOYSA-N 2 1 385.468 0.342 20 0 GCADMP C[NH+](C)C[C@@H]1CCN(c2nc(NC3CC3)[nH+]c(N3CC[C@@H](C[NH+](C)C)C3)n2)C1 ZINC000893118749 1189373420 /nfs/dbraw/zinc/37/34/20/1189373420.db2.gz JKWCUERVBLGHMD-HOTGVXAUSA-N 3 1 388.564 0.644 20 0 GCADMP C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)CC[NH3+])c1 ZINC000415877204 1189393181 /nfs/dbraw/zinc/39/31/81/1189393181.db2.gz HMUHEIATMMFNEN-CYBMUJFWSA-N 2 1 393.463 0.994 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC(=O)C(=O)N(C)CC[NH3+])c1 ZINC000415877204 1189393188 /nfs/dbraw/zinc/39/31/88/1189393188.db2.gz HMUHEIATMMFNEN-CYBMUJFWSA-N 2 1 393.463 0.994 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415968192 1189410564 /nfs/dbraw/zinc/41/05/64/1189410564.db2.gz XMHSVWXAUDOZDP-QAPCUYQASA-N 2 1 388.516 0.962 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415968190 1189411022 /nfs/dbraw/zinc/41/10/22/1189411022.db2.gz XMHSVWXAUDOZDP-CRAIPNDOSA-N 2 1 388.516 0.962 20 0 GCADMP CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N1CCOCC1 ZINC000460853603 1189458297 /nfs/dbraw/zinc/45/82/97/1189458297.db2.gz GLHJZAMVOBEFHL-MSOLQXFVSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853603 1189458302 /nfs/dbraw/zinc/45/83/02/1189458302.db2.gz GLHJZAMVOBEFHL-MSOLQXFVSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853603 1189458308 /nfs/dbraw/zinc/45/83/08/1189458308.db2.gz GLHJZAMVOBEFHL-MSOLQXFVSA-N 2 1 382.549 0.827 20 0 GCADMP C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313742 1189472015 /nfs/dbraw/zinc/47/20/15/1189472015.db2.gz GULIXYUHUWRJPY-APWZRJJASA-N 2 1 396.557 0.671 20 0 GCADMP C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378313742 1189472023 /nfs/dbraw/zinc/47/20/23/1189472023.db2.gz GULIXYUHUWRJPY-APWZRJJASA-N 2 1 396.557 0.671 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320660 1189474651 /nfs/dbraw/zinc/47/46/51/1189474651.db2.gz VOEDIVLGSHRSPN-IEBWSBKVSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)C1 ZINC000378320660 1189474654 /nfs/dbraw/zinc/47/46/54/1189474654.db2.gz VOEDIVLGSHRSPN-IEBWSBKVSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)C1 ZINC000378320660 1189474657 /nfs/dbraw/zinc/47/46/57/1189474657.db2.gz VOEDIVLGSHRSPN-IEBWSBKVSA-N 2 1 385.512 0.712 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000378528069 1189528108 /nfs/dbraw/zinc/52/81/08/1189528108.db2.gz HACIQNHBTSOGND-IRXDYDNUSA-N 2 1 397.545 0.632 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000378528069 1189528113 /nfs/dbraw/zinc/52/81/13/1189528113.db2.gz HACIQNHBTSOGND-IRXDYDNUSA-N 2 1 397.545 0.632 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000378528070 1189528185 /nfs/dbraw/zinc/52/81/85/1189528185.db2.gz HACIQNHBTSOGND-SJORKVTESA-N 2 1 397.545 0.632 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000378528070 1189528190 /nfs/dbraw/zinc/52/81/90/1189528190.db2.gz HACIQNHBTSOGND-SJORKVTESA-N 2 1 397.545 0.632 20 0 GCADMP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1I ZINC001353527075 1189591667 /nfs/dbraw/zinc/59/16/67/1189591667.db2.gz RZSWFBANAFMITG-ZDUSSCGKSA-N 2 1 391.253 0.985 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccccc1I ZINC001353527075 1189591671 /nfs/dbraw/zinc/59/16/71/1189591671.db2.gz RZSWFBANAFMITG-ZDUSSCGKSA-N 2 1 391.253 0.985 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000660113741 1189592994 /nfs/dbraw/zinc/59/29/94/1189592994.db2.gz FOVBORCLYCJPQP-ROUUACIJSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000660113741 1189592998 /nfs/dbraw/zinc/59/29/98/1189592998.db2.gz FOVBORCLYCJPQP-ROUUACIJSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000660113741 1189593002 /nfs/dbraw/zinc/59/30/02/1189593002.db2.gz FOVBORCLYCJPQP-ROUUACIJSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660113741 1189593007 /nfs/dbraw/zinc/59/30/07/1189593007.db2.gz FOVBORCLYCJPQP-ROUUACIJSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)C[C@H](CNC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCOCC1 ZINC000416934038 1189594348 /nfs/dbraw/zinc/59/43/48/1189594348.db2.gz CLCDLFNJVIDRRI-ZWKOTPCHSA-N 2 1 393.536 0.830 20 0 GCADMP [NH3+]C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000416941398 1189596411 /nfs/dbraw/zinc/59/64/11/1189596411.db2.gz BZDIVUXKDDCJCL-QGZVFWFLSA-N 2 1 375.521 0.805 20 0 GCADMP CC(C)C[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416943194 1189596495 /nfs/dbraw/zinc/59/64/95/1189596495.db2.gz SVFGYHVWXCDJNO-MSOLQXFVSA-N 2 1 397.564 0.762 20 0 GCADMP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000416941013 1189596539 /nfs/dbraw/zinc/59/65/39/1189596539.db2.gz BIYOVVUIPRLTPO-SJORKVTESA-N 2 1 375.521 0.615 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416944544 1189599420 /nfs/dbraw/zinc/59/94/20/1189599420.db2.gz GGOVJAJYFMDVKO-IAGOWNOFSA-N 2 1 375.521 0.900 20 0 GCADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000416947557 1189599882 /nfs/dbraw/zinc/59/98/82/1189599882.db2.gz GXPWOHTVJNRQGS-MOPGFXCFSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@H]1[NH3+] ZINC000573091822 1189602958 /nfs/dbraw/zinc/60/29/58/1189602958.db2.gz FUUZJKTVGBOGJV-CRAIPNDOSA-N 2 1 389.500 0.836 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015988 1189607992 /nfs/dbraw/zinc/60/79/92/1189607992.db2.gz HUFRISQLJBBFQV-RTBURBONSA-N 2 1 375.517 0.734 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015988 1189607997 /nfs/dbraw/zinc/60/79/97/1189607997.db2.gz HUFRISQLJBBFQV-RTBURBONSA-N 2 1 375.517 0.734 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)N2CCO[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015988 1189607998 /nfs/dbraw/zinc/60/79/98/1189607998.db2.gz HUFRISQLJBBFQV-RTBURBONSA-N 2 1 375.517 0.734 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NCCN1CC[NH2+]CC1 ZINC000417012744 1189608033 /nfs/dbraw/zinc/60/80/33/1189608033.db2.gz ARKDDWCKVLDARQ-UHFFFAOYSA-N 2 1 388.560 0.399 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014819 1189608086 /nfs/dbraw/zinc/60/80/86/1189608086.db2.gz FYHUKMSCIUXZKW-RBUKOAKNSA-N 2 1 375.517 0.653 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014819 1189608090 /nfs/dbraw/zinc/60/80/90/1189608090.db2.gz FYHUKMSCIUXZKW-RBUKOAKNSA-N 2 1 375.517 0.653 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)NC[C@@H]2C[NH2+]CCO2)[C@@H](c2ccccc2)C1 ZINC000417014819 1189608092 /nfs/dbraw/zinc/60/80/92/1189608092.db2.gz FYHUKMSCIUXZKW-RBUKOAKNSA-N 2 1 375.517 0.653 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000417028110 1189609773 /nfs/dbraw/zinc/60/97/73/1189609773.db2.gz ULPWPTQAHWGYGV-HXUWFJFHSA-N 2 1 389.544 0.954 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCCO1 ZINC000417028108 1189609917 /nfs/dbraw/zinc/60/99/17/1189609917.db2.gz ULPWPTQAHWGYGV-FQEVSTJZSA-N 2 1 389.544 0.954 20 0 GCADMP C[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417048363 1189612447 /nfs/dbraw/zinc/61/24/47/1189612447.db2.gz WSPHTVQLITWDCN-IEBWSBKVSA-N 2 1 375.517 0.956 20 0 GCADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417134731 1189623894 /nfs/dbraw/zinc/62/38/94/1189623894.db2.gz ATRLQZIJKIBOGX-HXUWFJFHSA-N 2 1 389.544 0.872 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000417157290 1189625319 /nfs/dbraw/zinc/62/53/19/1189625319.db2.gz CXQGCKUAPSHWNF-GOSISDBHSA-N 2 1 389.500 0.899 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660160547 1189625394 /nfs/dbraw/zinc/62/53/94/1189625394.db2.gz MNRWVHWWXDNMPW-SQNIBIBYSA-N 2 1 379.549 0.166 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660160547 1189625398 /nfs/dbraw/zinc/62/53/98/1189625398.db2.gz MNRWVHWWXDNMPW-SQNIBIBYSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C ZINC000660160547 1189625400 /nfs/dbraw/zinc/62/54/00/1189625400.db2.gz MNRWVHWWXDNMPW-SQNIBIBYSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C ZINC000660160547 1189625402 /nfs/dbraw/zinc/62/54/02/1189625402.db2.gz MNRWVHWWXDNMPW-SQNIBIBYSA-N 2 1 379.549 0.166 20 0 GCADMP CC(C)(C[NH3+])NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417163742 1189626938 /nfs/dbraw/zinc/62/69/38/1189626938.db2.gz MXJNYRSGQWCHDH-UHFFFAOYSA-N 2 1 377.489 0.884 20 0 GCADMP C[C@H]([NH3+])CCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417163702 1189627297 /nfs/dbraw/zinc/62/72/97/1189627297.db2.gz MUNIXHNFSFELBA-HNNXBMFYSA-N 2 1 377.489 0.884 20 0 GCADMP COC[C@@]1(CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000417383692 1189655537 /nfs/dbraw/zinc/65/55/37/1189655537.db2.gz KOJUGVLTICBPNF-FQEVSTJZSA-N 2 1 390.532 0.662 20 0 GCADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)C1 ZINC000660208403 1189658461 /nfs/dbraw/zinc/65/84/61/1189658461.db2.gz XHSIDQRXTQESGG-HXUWFJFHSA-N 2 1 378.517 0.254 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)C2)C1 ZINC000660208403 1189658465 /nfs/dbraw/zinc/65/84/65/1189658465.db2.gz XHSIDQRXTQESGG-HXUWFJFHSA-N 2 1 378.517 0.254 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000417459050 1189668581 /nfs/dbraw/zinc/66/85/81/1189668581.db2.gz LMZLQAKIQHWTIB-IBGZPJMESA-N 2 1 394.516 0.903 20 0 GCADMP Cc1c([C@H]2OCC[C@@H]2[NH2+]CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)cnn1C ZINC000431955807 1189686703 /nfs/dbraw/zinc/68/67/03/1189686703.db2.gz AMXFCWHQHRTPAO-IMFGXOCKSA-N 2 1 393.532 0.621 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1)[NH+](C)C ZINC000584850338 1189691931 /nfs/dbraw/zinc/69/19/31/1189691931.db2.gz OVTBKZMXYBNNEJ-IMJJTQAJSA-N 2 1 375.473 0.251 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000417757711 1189702236 /nfs/dbraw/zinc/70/22/36/1189702236.db2.gz ULCRBJVAYWVEPG-DLBZAZTESA-N 2 1 383.537 0.245 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855620 1189706308 /nfs/dbraw/zinc/70/63/08/1189706308.db2.gz JAFMTUSUSJUNBW-LPHOPBHVSA-N 2 1 392.500 0.956 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855620 1189706311 /nfs/dbraw/zinc/70/63/11/1189706311.db2.gz JAFMTUSUSJUNBW-LPHOPBHVSA-N 2 1 392.500 0.956 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855619 1189706330 /nfs/dbraw/zinc/70/63/30/1189706330.db2.gz JAFMTUSUSJUNBW-APWZRJJASA-N 2 1 392.500 0.956 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc(OC)c1 ZINC000417855619 1189706333 /nfs/dbraw/zinc/70/63/33/1189706333.db2.gz JAFMTUSUSJUNBW-APWZRJJASA-N 2 1 392.500 0.956 20 0 GCADMP CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900912 1189707334 /nfs/dbraw/zinc/70/73/34/1189707334.db2.gz VJZVWXMGBUNXRQ-SLFFLAALSA-N 2 1 389.544 0.869 20 0 GCADMP CC[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900912 1189707339 /nfs/dbraw/zinc/70/73/39/1189707339.db2.gz VJZVWXMGBUNXRQ-SLFFLAALSA-N 2 1 389.544 0.869 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115034 1189723910 /nfs/dbraw/zinc/72/39/10/1189723910.db2.gz NELJSFIBAZPTIQ-IAGOWNOFSA-N 2 1 381.521 0.093 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115034 1189723911 /nfs/dbraw/zinc/72/39/11/1189723911.db2.gz NELJSFIBAZPTIQ-IAGOWNOFSA-N 2 1 381.521 0.093 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115609 1189724596 /nfs/dbraw/zinc/72/45/96/1189724596.db2.gz OSOQSXUKMACAMQ-IAGOWNOFSA-N 2 1 383.537 0.516 20 0 GCADMP O=C(CCCC[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001111494282 1189726396 /nfs/dbraw/zinc/72/63/96/1189726396.db2.gz IKBKOWVXFGMRAP-KURKYZTESA-N 2 1 377.533 0.999 20 0 GCADMP Cc1cc(CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418195421 1189736108 /nfs/dbraw/zinc/73/61/08/1189736108.db2.gz FXRLXUSPTKGIAY-KRWDZBQOSA-N 2 1 388.516 0.987 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)C2)CC1 ZINC000364332748 1189750702 /nfs/dbraw/zinc/75/07/02/1189750702.db2.gz QKRRLHFFFVKMQF-OALUTQOASA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000364331908 1189752065 /nfs/dbraw/zinc/75/20/65/1189752065.db2.gz MVFVDFAGNHWICO-QZTJIDSGSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCCO1 ZINC000364331908 1189752074 /nfs/dbraw/zinc/75/20/74/1189752074.db2.gz MVFVDFAGNHWICO-QZTJIDSGSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000364331908 1189752078 /nfs/dbraw/zinc/75/20/78/1189752078.db2.gz MVFVDFAGNHWICO-QZTJIDSGSA-N 2 1 395.548 0.435 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693621 1189775780 /nfs/dbraw/zinc/77/57/80/1189775780.db2.gz YTUWTNGVGCPFFP-FJIDUMEYSA-N 2 1 394.560 0.968 20 0 GCADMP O=C(CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCCCC1 ZINC000909327347 1189796159 /nfs/dbraw/zinc/79/61/59/1189796159.db2.gz VGURRLTUEDPNBO-LJQANCHMSA-N 2 1 388.512 0.606 20 0 GCADMP O=C(CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1)NCC[NH+]1CCCCC1 ZINC000909327347 1189796162 /nfs/dbraw/zinc/79/61/62/1189796162.db2.gz VGURRLTUEDPNBO-LJQANCHMSA-N 2 1 388.512 0.606 20 0 GCADMP COCC[NH2+]CCNC(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418513711 1189810284 /nfs/dbraw/zinc/81/02/84/1189810284.db2.gz VPTKIXJJJLEUSO-HXUWFJFHSA-N 2 1 389.544 0.824 20 0 GCADMP COCCn1cc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1=O ZINC000601478199 1189825995 /nfs/dbraw/zinc/82/59/95/1189825995.db2.gz AIZURTVJFKBEAD-GOSISDBHSA-N 2 1 376.501 0.735 20 0 GCADMP COCCn1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1=O ZINC000601478199 1189826006 /nfs/dbraw/zinc/82/60/06/1189826006.db2.gz AIZURTVJFKBEAD-GOSISDBHSA-N 2 1 376.501 0.735 20 0 GCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542652 1189896850 /nfs/dbraw/zinc/89/68/50/1189896850.db2.gz AQRVBYZBDJAJME-OALUTQOASA-N 2 1 392.544 0.500 20 0 GCADMP CN1CCN(C(=O)CC[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000511855580 1189910249 /nfs/dbraw/zinc/91/02/49/1189910249.db2.gz PDHUHTCNBFOTJA-UHFFFAOYSA-N 3 1 387.572 0.900 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC[C@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582850 1189911414 /nfs/dbraw/zinc/91/14/14/1189911414.db2.gz AKSIIFQPXNKATP-MSOLQXFVSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000660582850 1189911415 /nfs/dbraw/zinc/91/14/15/1189911415.db2.gz AKSIIFQPXNKATP-MSOLQXFVSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000660582850 1189911416 /nfs/dbraw/zinc/91/14/16/1189911416.db2.gz AKSIIFQPXNKATP-MSOLQXFVSA-N 2 1 379.549 0.995 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864874 1189959340 /nfs/dbraw/zinc/95/93/40/1189959340.db2.gz PWLHMVODDHNXQC-OALUTQOASA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)O1 ZINC000975779802 1189974114 /nfs/dbraw/zinc/97/41/14/1189974114.db2.gz MBPSEMLUVVOFMP-KCITZHQASA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C4CC[NH+](C)CC4)[C@H]3C2)O1 ZINC000975779802 1189974117 /nfs/dbraw/zinc/97/41/17/1189974117.db2.gz MBPSEMLUVVOFMP-KCITZHQASA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)O1 ZINC000975779333 1189974440 /nfs/dbraw/zinc/97/44/40/1189974440.db2.gz GHEJOBXKVYBMMI-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[NH+](C)C4CCC4)[C@H]3C2)O1 ZINC000975779333 1189974445 /nfs/dbraw/zinc/97/44/45/1189974445.db2.gz GHEJOBXKVYBMMI-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[N@H+](C)C4CCC4)[C@H]3C2)O1 ZINC000975779333 1189974447 /nfs/dbraw/zinc/97/44/47/1189974447.db2.gz GHEJOBXKVYBMMI-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CCN(C(=O)C[N@@H+](C)C4CCC4)[C@H]3C2)O1 ZINC000975779333 1189974452 /nfs/dbraw/zinc/97/44/52/1189974452.db2.gz GHEJOBXKVYBMMI-KCITZHQASA-N 2 1 392.544 0.639 20 0 GCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000661237378 1190020402 /nfs/dbraw/zinc/02/04/02/1190020402.db2.gz MPEWQPHJJVVNIQ-KURKYZTESA-N 2 1 378.517 0.252 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000661237378 1190020410 /nfs/dbraw/zinc/02/04/10/1190020410.db2.gz MPEWQPHJJVVNIQ-KURKYZTESA-N 2 1 378.517 0.252 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@@H+]1CCO ZINC000661358474 1190036317 /nfs/dbraw/zinc/03/63/17/1190036317.db2.gz IRPZCJUSGCSKAD-WMZOPIPTSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC[N@H+]1CCO ZINC000661358474 1190036322 /nfs/dbraw/zinc/03/63/22/1190036322.db2.gz IRPZCJUSGCSKAD-WMZOPIPTSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358474 1190036327 /nfs/dbraw/zinc/03/63/27/1190036327.db2.gz IRPZCJUSGCSKAD-WMZOPIPTSA-N 2 1 392.544 0.377 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC[NH+]1CCO ZINC000661358474 1190036332 /nfs/dbraw/zinc/03/63/32/1190036332.db2.gz IRPZCJUSGCSKAD-WMZOPIPTSA-N 2 1 392.544 0.377 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]32)CC[N@@H+]1C ZINC000976607449 1190047411 /nfs/dbraw/zinc/04/74/11/1190047411.db2.gz GTAAZCOPVPYVGW-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@H]32)CC[N@H+]1C ZINC000976607449 1190047414 /nfs/dbraw/zinc/04/74/14/1190047414.db2.gz GTAAZCOPVPYVGW-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]32)CC[NH+]1C ZINC000976607449 1190047419 /nfs/dbraw/zinc/04/74/19/1190047419.db2.gz GTAAZCOPVPYVGW-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]32)CC[NH+]1C ZINC000976607449 1190047423 /nfs/dbraw/zinc/04/74/23/1190047423.db2.gz GTAAZCOPVPYVGW-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000411019808 1193721262 /nfs/dbraw/zinc/72/12/62/1193721262.db2.gz FVFPIFVECVVNBR-ZWKOTPCHSA-N 2 1 380.533 0.498 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000419226606 1193728261 /nfs/dbraw/zinc/72/82/61/1193728261.db2.gz RBHJPUAMXPAXQS-QZTJIDSGSA-N 2 1 378.517 0.500 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2sccc2C1 ZINC000419232655 1193742659 /nfs/dbraw/zinc/74/26/59/1193742659.db2.gz LAQUHZSBFRKVKT-BMFZPTHFSA-N 2 1 376.526 0.964 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2sccc2C1 ZINC000419232655 1193742662 /nfs/dbraw/zinc/74/26/62/1193742662.db2.gz LAQUHZSBFRKVKT-BMFZPTHFSA-N 2 1 376.526 0.964 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266841 1193776090 /nfs/dbraw/zinc/77/60/90/1193776090.db2.gz HZBFWPCXDHTWDT-QFBILLFUSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C[NH3+] ZINC000419275542 1193779547 /nfs/dbraw/zinc/77/95/47/1193779547.db2.gz YWZNGKSGQYNNQQ-LPHOPBHVSA-N 2 1 388.512 0.578 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000419305846 1193798569 /nfs/dbraw/zinc/79/85/69/1193798569.db2.gz XMOBCAAJPPQKRG-FHLIZLRMSA-N 2 1 392.475 0.163 20 0 GCADMP C[NH+]1CCN(C(=O)[C@H]2CCCN2C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412112563 1193805963 /nfs/dbraw/zinc/80/59/63/1193805963.db2.gz BYIBQVUMWSPHRK-ZWKOTPCHSA-N 2 1 394.585 0.969 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc2)C1 ZINC000419327452 1193818543 /nfs/dbraw/zinc/81/85/43/1193818543.db2.gz CZTUZKYRPWROLT-CALCHBBNSA-N 2 1 390.528 0.560 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000428754822 1193818976 /nfs/dbraw/zinc/81/89/76/1193818976.db2.gz VVXXSXACVAXZEG-RDJZCZTQSA-N 2 1 381.521 0.221 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000428754822 1193818984 /nfs/dbraw/zinc/81/89/84/1193818984.db2.gz VVXXSXACVAXZEG-RDJZCZTQSA-N 2 1 381.521 0.221 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000428754822 1193818993 /nfs/dbraw/zinc/81/89/93/1193818993.db2.gz VVXXSXACVAXZEG-RDJZCZTQSA-N 2 1 381.521 0.221 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000419330639 1193823145 /nfs/dbraw/zinc/82/31/45/1193823145.db2.gz GNHFOLNHQMIXSR-IBGZPJMESA-N 2 1 389.544 0.540 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000419345627 1193840516 /nfs/dbraw/zinc/84/05/16/1193840516.db2.gz UJQJSKLCMJDYDM-IBGZPJMESA-N 2 1 387.528 0.309 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCCC[NH2+]C)CC1 ZINC000419347137 1193843208 /nfs/dbraw/zinc/84/32/08/1193843208.db2.gz WJVYZFQWRNOKOE-UHFFFAOYSA-N 2 1 375.517 0.166 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000419348678 1193843217 /nfs/dbraw/zinc/84/32/17/1193843217.db2.gz XWUWIAGNBWDCJZ-UHFFFAOYSA-N 2 1 387.528 0.390 20 0 GCADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419362417 1193865786 /nfs/dbraw/zinc/86/57/86/1193865786.db2.gz VBYDEXGYPMGTPS-IRXDYDNUSA-N 2 1 394.903 0.698 20 0 GCADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576415581 1193875572 /nfs/dbraw/zinc/87/55/72/1193875572.db2.gz IQAMMIPILPOCFR-MOPGFXCFSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000576415581 1193875579 /nfs/dbraw/zinc/87/55/79/1193875579.db2.gz IQAMMIPILPOCFR-MOPGFXCFSA-N 2 1 394.560 0.938 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000571455320 1193877218 /nfs/dbraw/zinc/87/72/18/1193877218.db2.gz PYDYLBJRZQDHDB-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419387732 1193897373 /nfs/dbraw/zinc/89/73/73/1193897373.db2.gz CYIVZXNIKCCBCI-DLBZAZTESA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419387732 1193897375 /nfs/dbraw/zinc/89/73/75/1193897375.db2.gz CYIVZXNIKCCBCI-DLBZAZTESA-N 2 1 376.526 0.574 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387052 1193898343 /nfs/dbraw/zinc/89/83/43/1193898343.db2.gz BXCZMOJEUAEWBZ-IAGOWNOFSA-N 2 1 378.542 0.820 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387052 1193898348 /nfs/dbraw/zinc/89/83/48/1193898348.db2.gz BXCZMOJEUAEWBZ-IAGOWNOFSA-N 2 1 378.542 0.820 20 0 GCADMP CC(C)(CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419385931 1193898544 /nfs/dbraw/zinc/89/85/44/1193898544.db2.gz CWIOUQDNWQDVCL-GOSISDBHSA-N 2 1 388.512 0.434 20 0 GCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389459 1193900195 /nfs/dbraw/zinc/90/01/95/1193900195.db2.gz FIJUUWUUHINTCV-XLIONFOSSA-N 2 1 390.553 0.918 20 0 GCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389459 1193900196 /nfs/dbraw/zinc/90/01/96/1193900196.db2.gz FIJUUWUUHINTCV-XLIONFOSSA-N 2 1 390.553 0.918 20 0 GCADMP O=C(CC[N@H+]1CCCN(S(=O)(=O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262131277 1193940183 /nfs/dbraw/zinc/94/01/83/1193940183.db2.gz NZNLWWBOZOQFLC-UHFFFAOYSA-N 2 1 380.514 0.205 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000643371964 1193940196 /nfs/dbraw/zinc/94/01/96/1193940196.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000643371964 1193940199 /nfs/dbraw/zinc/94/01/99/1193940199.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000643371964 1193940200 /nfs/dbraw/zinc/94/02/00/1193940200.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000643371964 1193940202 /nfs/dbraw/zinc/94/02/02/1193940202.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000643371964 1193940203 /nfs/dbraw/zinc/94/02/03/1193940203.db2.gz SPANNEKLXFUXPS-ROUUACIJSA-N 2 1 379.549 0.166 20 0 GCADMP C[N@@H+](CCOc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1)C1CCOCC1 ZINC000262505154 1193949589 /nfs/dbraw/zinc/94/95/89/1193949589.db2.gz LGRXUHLBOZONTM-PKOBYXMFSA-N 2 1 377.485 0.515 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000433824467 1193951291 /nfs/dbraw/zinc/95/12/91/1193951291.db2.gz UYEBHTVJHNTBHO-LJQANCHMSA-N 2 1 380.581 0.432 20 0 GCADMP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835583 1193955026 /nfs/dbraw/zinc/95/50/26/1193955026.db2.gz DDTHTODIYXQXKP-QGZVFWFLSA-N 2 1 389.544 0.871 20 0 GCADMP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000647835583 1193955027 /nfs/dbraw/zinc/95/50/27/1193955027.db2.gz DDTHTODIYXQXKP-QGZVFWFLSA-N 2 1 389.544 0.871 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549943199 1193971433 /nfs/dbraw/zinc/97/14/33/1193971433.db2.gz RLCMGGKSGOUJMK-KRWDZBQOSA-N 2 1 380.533 0.738 20 0 GCADMP CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549943199 1193971437 /nfs/dbraw/zinc/97/14/37/1193971437.db2.gz RLCMGGKSGOUJMK-KRWDZBQOSA-N 2 1 380.533 0.738 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400780 1194019415 /nfs/dbraw/zinc/01/94/15/1194019415.db2.gz NHNFPQVMMGYDOB-KRWDZBQOSA-N 2 1 378.542 0.836 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400780 1194019417 /nfs/dbraw/zinc/01/94/17/1194019417.db2.gz NHNFPQVMMGYDOB-KRWDZBQOSA-N 2 1 378.542 0.836 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401782 1194020181 /nfs/dbraw/zinc/02/01/81/1194020181.db2.gz PMTDCFOUYNZCCX-SJORKVTESA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401782 1194020185 /nfs/dbraw/zinc/02/01/85/1194020185.db2.gz PMTDCFOUYNZCCX-SJORKVTESA-N 2 1 376.526 0.588 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419402015 1194020898 /nfs/dbraw/zinc/02/08/98/1194020898.db2.gz PTDYVBZPXZGYEL-IAGOWNOFSA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419402015 1194020900 /nfs/dbraw/zinc/02/09/00/1194020900.db2.gz PTDYVBZPXZGYEL-IAGOWNOFSA-N 2 1 376.526 0.670 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419406439 1194021964 /nfs/dbraw/zinc/02/19/64/1194021964.db2.gz WVMXMQQQLLOYCZ-UHOSZYNNSA-N 2 1 388.512 0.508 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419419130 1194022242 /nfs/dbraw/zinc/02/22/42/1194022242.db2.gz LVRXITDGRPLVQI-LJQANCHMSA-N 2 1 387.528 0.164 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419557 1194022720 /nfs/dbraw/zinc/02/27/20/1194022720.db2.gz SAJZWNHLIIDANB-NEWSRXKRSA-N 2 1 390.528 0.896 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419557 1194022723 /nfs/dbraw/zinc/02/27/23/1194022723.db2.gz SAJZWNHLIIDANB-NEWSRXKRSA-N 2 1 390.528 0.896 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419317 1194022924 /nfs/dbraw/zinc/02/29/24/1194022924.db2.gz JEDDCUAGGPIJJD-YJBOKZPZSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421299 1194024168 /nfs/dbraw/zinc/02/41/68/1194024168.db2.gz OQIGSLAQRDQLJM-BHIYHBOVSA-N 2 1 387.528 0.287 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421299 1194024172 /nfs/dbraw/zinc/02/41/72/1194024172.db2.gz OQIGSLAQRDQLJM-BHIYHBOVSA-N 2 1 387.528 0.287 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@H]1[NH3+] ZINC000419421299 1194024178 /nfs/dbraw/zinc/02/41/78/1194024178.db2.gz OQIGSLAQRDQLJM-BHIYHBOVSA-N 2 1 387.528 0.287 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423773 1194024492 /nfs/dbraw/zinc/02/44/92/1194024492.db2.gz YZZLDLHJBIVNSW-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423773 1194024493 /nfs/dbraw/zinc/02/44/93/1194024493.db2.gz YZZLDLHJBIVNSW-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419424339 1194025799 /nfs/dbraw/zinc/02/57/99/1194025799.db2.gz TVWDEGMZTKHXMV-KRWDZBQOSA-N 2 1 375.517 0.022 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427177 1194027464 /nfs/dbraw/zinc/02/74/64/1194027464.db2.gz YTUZSNOGOCLUBF-OALUTQOASA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427177 1194027467 /nfs/dbraw/zinc/02/74/67/1194027467.db2.gz YTUZSNOGOCLUBF-OALUTQOASA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419427177 1194027470 /nfs/dbraw/zinc/02/74/70/1194027470.db2.gz YTUZSNOGOCLUBF-OALUTQOASA-N 2 1 387.528 0.335 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409572 1194028700 /nfs/dbraw/zinc/02/87/00/1194028700.db2.gz FIHHJDFJJPHHHM-FHWLQOOXSA-N 2 1 388.512 0.603 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409572 1194028706 /nfs/dbraw/zinc/02/87/06/1194028706.db2.gz FIHHJDFJJPHHHM-FHWLQOOXSA-N 2 1 388.512 0.603 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000419414857 1194030762 /nfs/dbraw/zinc/03/07/62/1194030762.db2.gz HHFMNHHOLIIRJH-OALUTQOASA-N 2 1 387.528 0.302 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000419414857 1194030770 /nfs/dbraw/zinc/03/07/70/1194030770.db2.gz HHFMNHHOLIIRJH-OALUTQOASA-N 2 1 387.528 0.302 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CCC[NH2+]CC1 ZINC000419413431 1194030894 /nfs/dbraw/zinc/03/08/94/1194030894.db2.gz FOXXMHYUSYKXOR-UHFFFAOYSA-N 2 1 387.528 0.132 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419414018 1194031351 /nfs/dbraw/zinc/03/13/51/1194031351.db2.gz DRYBMDVYRKDJCT-RTBURBONSA-N 2 1 388.512 0.516 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000419414015 1194031364 /nfs/dbraw/zinc/03/13/64/1194031364.db2.gz DRYBMDVYRKDJCT-MOPGFXCFSA-N 2 1 388.512 0.516 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000419456336 1194033234 /nfs/dbraw/zinc/03/32/34/1194033234.db2.gz ZNLFRCKVNVVRKJ-KRWDZBQOSA-N 2 1 385.512 0.349 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000419445186 1194035619 /nfs/dbraw/zinc/03/56/19/1194035619.db2.gz DOKVZIUIJRUULI-LMMKCTJWSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000419445759 1194035748 /nfs/dbraw/zinc/03/57/48/1194035748.db2.gz FDNDIJIIQHOUSJ-ROUUACIJSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000419445190 1194035822 /nfs/dbraw/zinc/03/58/22/1194035822.db2.gz DOKVZIUIJRUULI-ZHALLVOQSA-N 2 1 387.528 0.509 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419446100 1194036660 /nfs/dbraw/zinc/03/66/60/1194036660.db2.gz FVIKHKSRGNFBNI-WMZOPIPTSA-N 2 1 375.517 0.413 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000419453848 1194037730 /nfs/dbraw/zinc/03/77/30/1194037730.db2.gz SJYBIJDPQOCONV-UWJYYQICSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@H]1C[C@@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@H+]1Cc1ccccc1 ZINC000419481295 1194041028 /nfs/dbraw/zinc/04/10/28/1194041028.db2.gz WQLXWJHMIACIQG-FUHWJXTLSA-N 2 1 376.501 0.183 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501866 1194045991 /nfs/dbraw/zinc/04/59/91/1194045991.db2.gz FFZLFXOLDBGXPO-IAGOWNOFSA-N 2 1 375.517 0.428 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504967 1194046699 /nfs/dbraw/zinc/04/66/99/1194046699.db2.gz LBHBUBHHNIFXKD-SQNIBIBYSA-N 2 1 387.528 0.570 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504438 1194046956 /nfs/dbraw/zinc/04/69/56/1194046956.db2.gz JRQIWVQKVBYVIH-QGZVFWFLSA-N 2 1 375.517 0.381 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@](C)(C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419503843 1194047120 /nfs/dbraw/zinc/04/71/20/1194047120.db2.gz IJZJOCJBDJXETI-LAUBAEHRSA-N 2 1 387.528 0.511 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506800 1194047292 /nfs/dbraw/zinc/04/72/92/1194047292.db2.gz NVXGPJPHHZMDGM-XMSQKQJNSA-N 2 1 399.539 0.525 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507642 1194047833 /nfs/dbraw/zinc/04/78/33/1194047833.db2.gz PLSGTQULDOPIKH-QGZVFWFLSA-N 2 1 389.544 0.947 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506799 1194047895 /nfs/dbraw/zinc/04/78/95/1194047895.db2.gz NVXGPJPHHZMDGM-PGRDOPGGSA-N 2 1 399.539 0.525 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419509888 1194048223 /nfs/dbraw/zinc/04/82/23/1194048223.db2.gz SPDVXRNIDYZMIZ-AOIWGVFYSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508782 1194048402 /nfs/dbraw/zinc/04/84/02/1194048402.db2.gz RJIICJXVLXMWGM-QGZVFWFLSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511583 1194050071 /nfs/dbraw/zinc/05/00/71/1194050071.db2.gz VXGRLAADZFVWSI-KRWDZBQOSA-N 2 1 387.528 0.511 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000419533826 1194050295 /nfs/dbraw/zinc/05/02/95/1194050295.db2.gz JFFIIQUDFPABSW-QZTJIDSGSA-N 2 1 376.501 0.762 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511803 1194050365 /nfs/dbraw/zinc/05/03/65/1194050365.db2.gz WDADZUYQDHRKKA-SQNIBIBYSA-N 2 1 387.528 0.557 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511798 1194050431 /nfs/dbraw/zinc/05/04/31/1194050431.db2.gz WDADZUYQDHRKKA-KURKYZTESA-N 2 1 387.528 0.557 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511800 1194050491 /nfs/dbraw/zinc/05/04/91/1194050491.db2.gz WDADZUYQDHRKKA-KZNAEPCWSA-N 2 1 387.528 0.557 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000419514685 1194051674 /nfs/dbraw/zinc/05/16/74/1194051674.db2.gz PJKCCESUGOMXCA-HZPDHXFCSA-N 2 1 379.505 0.619 20 0 GCADMP Cc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+]2CCCC2)o1 ZINC000419516754 1194052306 /nfs/dbraw/zinc/05/23/06/1194052306.db2.gz UWJDNORSGGLPNL-JKSUJKDBSA-N 2 1 378.473 0.336 20 0 GCADMP CCC[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1CCOC ZINC000501079367 1194053112 /nfs/dbraw/zinc/05/31/12/1194053112.db2.gz ZSEXQUBWBRKVTG-ROUUACIJSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079367 1194053116 /nfs/dbraw/zinc/05/31/16/1194053116.db2.gz ZSEXQUBWBRKVTG-ROUUACIJSA-N 2 1 397.564 0.716 20 0 GCADMP CCC[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CCOC ZINC000501079367 1194053117 /nfs/dbraw/zinc/05/31/17/1194053117.db2.gz ZSEXQUBWBRKVTG-ROUUACIJSA-N 2 1 397.564 0.716 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000419535964 1194055149 /nfs/dbraw/zinc/05/51/49/1194055149.db2.gz LQEHFIGKSZRNMU-SJLPKXTDSA-N 2 1 376.501 0.619 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419547826 1194056985 /nfs/dbraw/zinc/05/69/85/1194056985.db2.gz RYFDVQJTFYHCAB-NXHRZFHOSA-N 2 1 376.501 0.618 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549199 1194058255 /nfs/dbraw/zinc/05/82/55/1194058255.db2.gz VEPOFKDKDLJXPM-ZWKOTPCHSA-N 2 1 376.501 0.680 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549194 1194058288 /nfs/dbraw/zinc/05/82/88/1194058288.db2.gz VEPOFKDKDLJXPM-MSOLQXFVSA-N 2 1 376.501 0.680 20 0 GCADMP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000419556892 1194058790 /nfs/dbraw/zinc/05/87/90/1194058790.db2.gz LCSJODKWPAQBQI-BZUAXINKSA-N 2 1 393.557 0.989 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000419560703 1194060791 /nfs/dbraw/zinc/06/07/91/1194060791.db2.gz RKRXSVDVYOOEEK-FDPIWHGQSA-N 2 1 388.512 0.856 20 0 GCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000419565651 1194061893 /nfs/dbraw/zinc/06/18/93/1194061893.db2.gz ZXHYYNRAEAGYDI-AIANPOQGSA-N 2 1 376.526 0.925 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419656818 1194074815 /nfs/dbraw/zinc/07/48/15/1194074815.db2.gz IZXUNSIRCAYBSO-WMZOPIPTSA-N 2 1 376.501 0.508 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419663780 1194077583 /nfs/dbraw/zinc/07/75/83/1194077583.db2.gz QPWLLHDCHPOJOX-IEBWSBKVSA-N 2 1 387.528 0.177 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)C(C)C ZINC000419665441 1194078093 /nfs/dbraw/zinc/07/80/93/1194078093.db2.gz OHVZSUDDJHFPIH-KRWDZBQOSA-N 2 1 395.548 0.034 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000419718257 1194092347 /nfs/dbraw/zinc/09/23/47/1194092347.db2.gz CXUZZZSUPSJQOX-IBGZPJMESA-N 2 1 384.480 0.794 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419724488 1194093299 /nfs/dbraw/zinc/09/32/99/1194093299.db2.gz PYMSNVBSAPYTIP-OAHLLOKOSA-N 2 1 380.439 0.995 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccc(F)cc1 ZINC000419759070 1194099322 /nfs/dbraw/zinc/09/93/22/1194099322.db2.gz LUUMMPWKEMCYPF-UHFFFAOYSA-N 2 1 376.476 0.976 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NCCN1CC[NH2+]CC1)C1CC1 ZINC000419762589 1194101379 /nfs/dbraw/zinc/10/13/79/1194101379.db2.gz MEULSCQMGOOTEN-LJQANCHMSA-N 2 1 387.528 0.035 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419769215 1194102041 /nfs/dbraw/zinc/10/20/41/1194102041.db2.gz DKRUXIHZMBPPGG-HZPDHXFCSA-N 2 1 395.548 0.069 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419803581 1194106755 /nfs/dbraw/zinc/10/67/55/1194106755.db2.gz CUJOMNHXUKJDJF-BRWVUGGUSA-N 2 1 392.500 0.888 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@@H](C)O1 ZINC000419805789 1194107366 /nfs/dbraw/zinc/10/73/66/1194107366.db2.gz DVPMIAKUVLPOFW-SPYBWZPUSA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419820856 1194109530 /nfs/dbraw/zinc/10/95/30/1194109530.db2.gz MRUWKALAKULJKT-ZACQAIPSSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000419821615 1194109788 /nfs/dbraw/zinc/10/97/88/1194109788.db2.gz NOGCLEXEJGBRFX-GGXPGOJBSA-N 2 1 388.512 0.718 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1[NH3+] ZINC000419821615 1194109792 /nfs/dbraw/zinc/10/97/92/1194109792.db2.gz NOGCLEXEJGBRFX-GGXPGOJBSA-N 2 1 388.512 0.718 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000419826164 1194110952 /nfs/dbraw/zinc/11/09/52/1194110952.db2.gz QOSKWCCKCFVOFP-IAGOWNOFSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810287 1194111903 /nfs/dbraw/zinc/11/19/03/1194111903.db2.gz GXCLNTGVURGRCA-HRCADAONSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419810287 1194111907 /nfs/dbraw/zinc/11/19/07/1194111907.db2.gz GXCLNTGVURGRCA-HRCADAONSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)O1 ZINC000419810548 1194112379 /nfs/dbraw/zinc/11/23/79/1194112379.db2.gz XHDKIUQOMUOJON-ZACQAIPSSA-N 2 1 380.533 0.864 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419829209 1194115379 /nfs/dbraw/zinc/11/53/79/1194115379.db2.gz SMVOLNHYLNSVAS-HOTGVXAUSA-N 2 1 376.501 0.638 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419845147 1194120338 /nfs/dbraw/zinc/12/03/38/1194120338.db2.gz MXKLSYRXLHYUPY-UHFFFAOYSA-N 2 1 387.528 0.525 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857899 1194123005 /nfs/dbraw/zinc/12/30/05/1194123005.db2.gz VRELFINCPGNWAB-OAQYLSRUSA-N 2 1 388.512 0.340 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419864954 1194125672 /nfs/dbraw/zinc/12/56/72/1194125672.db2.gz SNEHGKGCKKRJHB-SFHVURJKSA-N 2 1 382.549 0.699 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000419874429 1194129515 /nfs/dbraw/zinc/12/95/15/1194129515.db2.gz WAJCQORWYZASID-LJQANCHMSA-N 2 1 387.528 0.116 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1 ZINC000419882824 1194132208 /nfs/dbraw/zinc/13/22/08/1194132208.db2.gz VMTSFARZKYAZLI-ZYSHUDEJSA-N 2 1 388.512 0.810 20 0 GCADMP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419884546 1194133145 /nfs/dbraw/zinc/13/31/45/1194133145.db2.gz ODZHPVNWCDLKLW-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419894830 1194135061 /nfs/dbraw/zinc/13/50/61/1194135061.db2.gz RJCVWVRMBZTPJP-QXAKKESOSA-N 2 1 393.576 0.650 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419917089 1194138563 /nfs/dbraw/zinc/13/85/63/1194138563.db2.gz RPHRJWVHCJWPBE-FGTMMUONSA-N 2 1 379.549 0.119 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419906661 1194141119 /nfs/dbraw/zinc/14/11/19/1194141119.db2.gz AOLVMWRAUWWLEI-ZIFCJYIRSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419909907 1194142089 /nfs/dbraw/zinc/14/20/89/1194142089.db2.gz ZOEVMGCUICNFRC-ZKXLYKBJSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419935791 1194145350 /nfs/dbraw/zinc/14/53/50/1194145350.db2.gz SSIDTNZWRFSRDJ-NBMJBFSESA-N 2 1 388.512 0.903 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000419935791 1194145353 /nfs/dbraw/zinc/14/53/53/1194145353.db2.gz SSIDTNZWRFSRDJ-NBMJBFSESA-N 2 1 388.512 0.903 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972403 1194150343 /nfs/dbraw/zinc/15/03/43/1194150343.db2.gz YLPUFAOJTKDUNA-KRWDZBQOSA-N 2 1 382.549 0.827 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419981014 1194151909 /nfs/dbraw/zinc/15/19/09/1194151909.db2.gz RNFLUSVQMOKODH-GOSISDBHSA-N 2 1 375.517 0.367 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419992819 1194154078 /nfs/dbraw/zinc/15/40/78/1194154078.db2.gz IBPRQDONTQMKKE-FXAWDEMLSA-N 2 1 376.501 0.181 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419996070 1194154390 /nfs/dbraw/zinc/15/43/90/1194154390.db2.gz MYAGYUYLVRQAEV-NXHRZFHOSA-N 2 1 381.565 0.636 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420031042 1194160206 /nfs/dbraw/zinc/16/02/06/1194160206.db2.gz GXCVUFUXTUWITI-CABCVRRESA-N 2 1 384.521 0.032 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000420031045 1194160312 /nfs/dbraw/zinc/16/03/12/1194160312.db2.gz GXCVUFUXTUWITI-LSDHHAIUSA-N 2 1 384.521 0.032 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420038226 1194165427 /nfs/dbraw/zinc/16/54/27/1194165427.db2.gz IHDUMVGBKMAITE-UHFFFAOYSA-N 3 1 395.592 0.899 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420038226 1194165430 /nfs/dbraw/zinc/16/54/30/1194165430.db2.gz IHDUMVGBKMAITE-UHFFFAOYSA-N 3 1 395.592 0.899 20 0 GCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000420052585 1194170192 /nfs/dbraw/zinc/17/01/92/1194170192.db2.gz IFFKBVFZPROKKN-QGZVFWFLSA-N 2 1 380.533 0.596 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)CCC1 ZINC000420088588 1194175607 /nfs/dbraw/zinc/17/56/07/1194175607.db2.gz IEUZDLPUIFVGFY-UHFFFAOYSA-N 2 1 389.500 0.130 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064863 1194176372 /nfs/dbraw/zinc/17/63/72/1194176372.db2.gz PAHGKZKIZHLCKP-FCGDIQPGSA-N 2 1 393.576 0.637 20 0 GCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420103414 1194178537 /nfs/dbraw/zinc/17/85/37/1194178537.db2.gz QZRLWSMIZJIHBI-YEWWUXTCSA-N 2 1 394.466 0.937 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000420157141 1194190621 /nfs/dbraw/zinc/19/06/21/1194190621.db2.gz OJSQPVZVBZEGOG-GOSISDBHSA-N 2 1 389.544 0.377 20 0 GCADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000420162090 1194191824 /nfs/dbraw/zinc/19/18/24/1194191824.db2.gz CXZVAZUMHPBPSU-UHFFFAOYSA-N 2 1 378.370 0.565 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000420183095 1194197761 /nfs/dbraw/zinc/19/77/61/1194197761.db2.gz LETIATVLJOFSBG-IAGOWNOFSA-N 2 1 376.501 0.460 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000420183095 1194197764 /nfs/dbraw/zinc/19/77/64/1194197764.db2.gz LETIATVLJOFSBG-IAGOWNOFSA-N 2 1 376.501 0.460 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420184513 1194197781 /nfs/dbraw/zinc/19/77/81/1194197781.db2.gz NWRUTPZQKRCFNX-CALCHBBNSA-N 2 1 398.548 0.077 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501591332 1194198175 /nfs/dbraw/zinc/19/81/75/1194198175.db2.gz ULQLHUPJRUVUEY-QZTJIDSGSA-N 2 1 394.560 0.698 20 0 GCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170529 1194200311 /nfs/dbraw/zinc/20/03/11/1194200311.db2.gz SDRNCZYCZYXQQS-MSOLQXFVSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420172107 1194200591 /nfs/dbraw/zinc/20/05/91/1194200591.db2.gz SYBAQWYLXPPYRY-CDXJDZJCSA-N 2 1 388.512 0.339 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000420174315 1194201298 /nfs/dbraw/zinc/20/12/98/1194201298.db2.gz YMTKWVHLDVKFFW-BDXSIMOUSA-N 2 1 394.560 0.981 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1CCOC ZINC000420200267 1194202885 /nfs/dbraw/zinc/20/28/85/1194202885.db2.gz DSTIFRVSCZAHJU-XMTFNYHQSA-N 2 1 380.533 0.450 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@H+]1CCOC ZINC000420200267 1194202887 /nfs/dbraw/zinc/20/28/87/1194202887.db2.gz DSTIFRVSCZAHJU-XMTFNYHQSA-N 2 1 380.533 0.450 20 0 GCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420206442 1194204806 /nfs/dbraw/zinc/20/48/06/1194204806.db2.gz JVYUVIVTWKXAQV-SLFFLAALSA-N 2 1 384.524 0.878 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1)CC(C)C ZINC000420205795 1194205551 /nfs/dbraw/zinc/20/55/51/1194205551.db2.gz SHCBFABJNNHXNV-SFHVURJKSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000501597272 1194207510 /nfs/dbraw/zinc/20/75/10/1194207510.db2.gz KBKAYMGZHUWVIB-SJLPKXTDSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000501597272 1194207514 /nfs/dbraw/zinc/20/75/14/1194207514.db2.gz KBKAYMGZHUWVIB-SJLPKXTDSA-N 2 1 380.533 0.402 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420194683 1194208178 /nfs/dbraw/zinc/20/81/78/1194208178.db2.gz SSRKROOSSWRZHR-HKUYNNGSSA-N 2 1 394.560 0.984 20 0 GCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420221752 1194209871 /nfs/dbraw/zinc/20/98/71/1194209871.db2.gz ZYZGPHQGXYBVCL-YESZJQIVSA-N 2 1 390.553 0.939 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420221749 1194210223 /nfs/dbraw/zinc/21/02/23/1194210223.db2.gz ZYZGPHQGXYBVCL-BRWVUGGUSA-N 2 1 390.553 0.939 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611526 1194211396 /nfs/dbraw/zinc/21/13/96/1194211396.db2.gz IYFNHWZIOLKOEA-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611526 1194211401 /nfs/dbraw/zinc/21/14/01/1194211401.db2.gz IYFNHWZIOLKOEA-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501611526 1194211404 /nfs/dbraw/zinc/21/14/04/1194211404.db2.gz IYFNHWZIOLKOEA-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501611526 1194211407 /nfs/dbraw/zinc/21/14/07/1194211407.db2.gz IYFNHWZIOLKOEA-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000501647458 1194216465 /nfs/dbraw/zinc/21/64/65/1194216465.db2.gz WVQVPAXYYZEDBQ-VYDXJSESSA-N 2 1 378.517 0.345 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501641924 1194217714 /nfs/dbraw/zinc/21/77/14/1194217714.db2.gz SDNPRMAMCURTDX-VKJFTORMSA-N 2 1 378.517 0.202 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733396 1194224323 /nfs/dbraw/zinc/22/43/23/1194224323.db2.gz SHASIBNAYHFOCE-PKOBYXMFSA-N 2 1 390.528 0.708 20 0 GCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369077 1194224602 /nfs/dbraw/zinc/22/46/02/1194224602.db2.gz BJQRWDDBCGBWEQ-HZPDHXFCSA-N 2 1 378.477 0.318 20 0 GCADMP CCOC(=O)[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369077 1194224606 /nfs/dbraw/zinc/22/46/06/1194224606.db2.gz BJQRWDDBCGBWEQ-HZPDHXFCSA-N 2 1 378.477 0.318 20 0 GCADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N2CCC[C@H](C(N)=O)C2)CC1 ZINC000501807515 1194230533 /nfs/dbraw/zinc/23/05/33/1194230533.db2.gz XWKUPEDIJHYVRI-SFHVURJKSA-N 2 1 382.549 0.781 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000420813424 1194266656 /nfs/dbraw/zinc/26/66/56/1194266656.db2.gz HHUYMSOROQMYSB-DOTOQJQBSA-N 2 1 376.501 0.967 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+](C)C ZINC000420813424 1194266661 /nfs/dbraw/zinc/26/66/61/1194266661.db2.gz HHUYMSOROQMYSB-DOTOQJQBSA-N 2 1 376.501 0.967 20 0 GCADMP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[NH+](C)C)c1 ZINC000420849916 1194268903 /nfs/dbraw/zinc/26/89/03/1194268903.db2.gz UWJURLZLLMMMIL-WMZOPIPTSA-N 2 1 376.501 0.967 20 0 GCADMP C[C@H]1CC[N@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000502909732 1194366336 /nfs/dbraw/zinc/36/63/36/1194366336.db2.gz IAPQCNUJLMQEMM-KRWDZBQOSA-N 2 1 375.521 0.724 20 0 GCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000502909732 1194366339 /nfs/dbraw/zinc/36/63/39/1194366339.db2.gz IAPQCNUJLMQEMM-KRWDZBQOSA-N 2 1 375.521 0.724 20 0 GCADMP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000502909733 1194366589 /nfs/dbraw/zinc/36/65/89/1194366589.db2.gz IAPQCNUJLMQEMM-QGZVFWFLSA-N 2 1 375.521 0.724 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000502909733 1194366593 /nfs/dbraw/zinc/36/65/93/1194366593.db2.gz IAPQCNUJLMQEMM-QGZVFWFLSA-N 2 1 375.521 0.724 20 0 GCADMP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549957867 1194368299 /nfs/dbraw/zinc/36/82/99/1194368299.db2.gz GDAITTZRGMBIIN-UHFFFAOYSA-N 2 1 382.549 0.938 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000422145320 1194399620 /nfs/dbraw/zinc/39/96/20/1194399620.db2.gz ULNFTKRJEVEGSO-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)C[C@@H](C)O1 ZINC000422145320 1194399625 /nfs/dbraw/zinc/39/96/25/1194399625.db2.gz ULNFTKRJEVEGSO-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000422132193 1194400842 /nfs/dbraw/zinc/40/08/42/1194400842.db2.gz HNQKMGWDWDDSOJ-SFHVURJKSA-N 2 1 380.533 0.500 20 0 GCADMP CCO[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983087225 1194420619 /nfs/dbraw/zinc/42/06/19/1194420619.db2.gz WJQVPUNVEAZEBT-BRSBDYLESA-N 2 1 392.544 0.402 20 0 GCADMP COCCOc1cccc(CNC(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000272481326 1194464895 /nfs/dbraw/zinc/46/48/95/1194464895.db2.gz MEJGSVSYPMUCJB-UHFFFAOYSA-N 2 1 392.544 0.897 20 0 GCADMP COCCOc1cccc(CNC(=O)C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000272481326 1194464896 /nfs/dbraw/zinc/46/48/96/1194464896.db2.gz MEJGSVSYPMUCJB-UHFFFAOYSA-N 2 1 392.544 0.897 20 0 GCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000273042097 1194532979 /nfs/dbraw/zinc/53/29/79/1194532979.db2.gz GIOGTPNMJZHLNB-YZGWKJHDSA-N 2 1 375.513 0.954 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000422262813 1194595108 /nfs/dbraw/zinc/59/51/08/1194595108.db2.gz AFBBYTLRNKUJDR-QGZVFWFLSA-N 2 1 391.560 0.358 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000422268691 1194596622 /nfs/dbraw/zinc/59/66/22/1194596622.db2.gz KHOVBTOQZRQZDW-KRWDZBQOSA-N 2 1 376.501 0.796 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000422320399 1194612793 /nfs/dbraw/zinc/61/27/93/1194612793.db2.gz VMYPDKAYQOXGDZ-MRXNPFEDSA-N 2 1 381.546 0.000 20 0 GCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422544476 1194665570 /nfs/dbraw/zinc/66/55/70/1194665570.db2.gz QLBZNBJFCHWAOS-BQFCYCMXSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422638142 1194680208 /nfs/dbraw/zinc/68/02/08/1194680208.db2.gz PVIQURLXLXVOJS-YCPHGPKFSA-N 2 1 382.530 0.298 20 0 GCADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422638142 1194680212 /nfs/dbraw/zinc/68/02/12/1194680212.db2.gz PVIQURLXLXVOJS-YCPHGPKFSA-N 2 1 382.530 0.298 20 0 GCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638476 1194702826 /nfs/dbraw/zinc/70/28/26/1194702826.db2.gz YXUFHQUKXDARBD-SJORKVTESA-N 2 1 377.485 0.867 20 0 GCADMP CCN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423060849 1194722776 /nfs/dbraw/zinc/72/27/76/1194722776.db2.gz PJDDTZNRYOSYGG-OALUTQOASA-N 2 1 388.512 0.686 20 0 GCADMP CCN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423060851 1194723021 /nfs/dbraw/zinc/72/30/21/1194723021.db2.gz PJDDTZNRYOSYGG-RTBURBONSA-N 2 1 388.512 0.686 20 0 GCADMP O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423117548 1194727598 /nfs/dbraw/zinc/72/75/98/1194727598.db2.gz VXQPEGHLZVFXEV-DOTOQJQBSA-N 2 1 376.526 0.645 20 0 GCADMP [NH3+]CC1CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC000423194067 1194738228 /nfs/dbraw/zinc/73/82/28/1194738228.db2.gz YFUNSGRHVYMHGK-UHFFFAOYSA-N 2 1 394.438 0.297 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423202624 1194738903 /nfs/dbraw/zinc/73/89/03/1194738903.db2.gz BENLTFVHKCLTCY-XWTMOSNGSA-N 2 1 379.549 0.199 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423202747 1194739372 /nfs/dbraw/zinc/73/93/72/1194739372.db2.gz LEMBAGSHBJVZDI-CALCHBBNSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423260447 1194744365 /nfs/dbraw/zinc/74/43/65/1194744365.db2.gz HMGBCGLDNCVXTN-SFHVURJKSA-N 2 1 387.528 0.083 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]1 ZINC000423260446 1194744475 /nfs/dbraw/zinc/74/44/75/1194744475.db2.gz HMGBCGLDNCVXTN-GOSISDBHSA-N 2 1 387.528 0.083 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)CCO1 ZINC000414730184 1194745538 /nfs/dbraw/zinc/74/55/38/1194745538.db2.gz AESDPGBLUYXUFM-HNNXBMFYSA-N 2 1 386.496 0.983 20 0 GCADMP C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423294392 1194747488 /nfs/dbraw/zinc/74/74/88/1194747488.db2.gz UJSVSPKIQAPAIN-QRQLOZEOSA-N 2 1 388.512 0.684 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423388073 1194752952 /nfs/dbraw/zinc/75/29/52/1194752952.db2.gz MPAKFZXQPYFVOC-OKZBNKHCSA-N 2 1 392.544 0.546 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC[N@@H+]1C ZINC000423391983 1194753355 /nfs/dbraw/zinc/75/33/55/1194753355.db2.gz XFRINMSYLYNBDC-FGTMMUONSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC[N@H+]1C ZINC000423391983 1194753357 /nfs/dbraw/zinc/75/33/57/1194753357.db2.gz XFRINMSYLYNBDC-FGTMMUONSA-N 2 1 380.533 0.530 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423431726 1194756851 /nfs/dbraw/zinc/75/68/51/1194756851.db2.gz ATPSYILMKITOEM-UWWQBHOKSA-N 2 1 376.476 0.879 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)CC1 ZINC000423441615 1194757584 /nfs/dbraw/zinc/75/75/84/1194757584.db2.gz JBRXJWLCMANVHT-CALCHBBNSA-N 2 1 382.549 0.792 20 0 GCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423466985 1194758520 /nfs/dbraw/zinc/75/85/20/1194758520.db2.gz ABKXFHBFNBJYHQ-RBUKOAKNSA-N 2 1 388.512 0.543 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423453611 1194759333 /nfs/dbraw/zinc/75/93/33/1194759333.db2.gz AYKTUAKKLARADB-MJGOQNOKSA-N 2 1 388.512 0.686 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497987 1194759766 /nfs/dbraw/zinc/75/97/66/1194759766.db2.gz AUWRMCGUFMPEKK-BPQIPLTHSA-N 2 1 379.549 0.342 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@@H+]1CCOC ZINC000423528911 1194761159 /nfs/dbraw/zinc/76/11/59/1194761159.db2.gz PBPLPMVWNLLLHR-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[N@H+]1CCOC ZINC000423528911 1194761160 /nfs/dbraw/zinc/76/11/60/1194761160.db2.gz PBPLPMVWNLLLHR-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]([NH2+]C[C@H]1CNCCN1C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423517679 1194762190 /nfs/dbraw/zinc/76/21/90/1194762190.db2.gz OFQDXRKDUWVIHA-FUHWJXTLSA-N 2 1 397.589 0.471 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@@H+]1CCOC ZINC000423516135 1194762408 /nfs/dbraw/zinc/76/24/08/1194762408.db2.gz ATQLDAUSKBKMRH-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@H+]1CCOC ZINC000423516135 1194762411 /nfs/dbraw/zinc/76/24/11/1194762411.db2.gz ATQLDAUSKBKMRH-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423520123 1194762705 /nfs/dbraw/zinc/76/27/05/1194762705.db2.gz DSCXLDFEPRANJZ-MOPGFXCFSA-N 2 1 388.512 0.686 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423520123 1194762707 /nfs/dbraw/zinc/76/27/07/1194762707.db2.gz DSCXLDFEPRANJZ-MOPGFXCFSA-N 2 1 388.512 0.686 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423524492 1194762913 /nfs/dbraw/zinc/76/29/13/1194762913.db2.gz JNEGWAQANBYGMV-CEXWTWQISA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423524492 1194762915 /nfs/dbraw/zinc/76/29/15/1194762915.db2.gz JNEGWAQANBYGMV-CEXWTWQISA-N 2 1 394.560 0.794 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423527670 1194763266 /nfs/dbraw/zinc/76/32/66/1194763266.db2.gz MKODOAQPTODQIE-QRQLOZEOSA-N 2 1 393.576 0.732 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423537313 1194764726 /nfs/dbraw/zinc/76/47/26/1194764726.db2.gz JTRJWVGGJRSVRM-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000423537313 1194764728 /nfs/dbraw/zinc/76/47/28/1194764728.db2.gz JTRJWVGGJRSVRM-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP CC[N@H+]1CCC[C@@H](CN(C)C(=O)C(=O)N2CC[NH2+][C@@H](C)C2)[C@@H]1c1cnn(C)c1 ZINC000423582796 1194770457 /nfs/dbraw/zinc/77/04/57/1194770457.db2.gz YFIGTKMRYAXSHK-XYJFISCASA-N 2 1 390.532 0.472 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000423611736 1194773591 /nfs/dbraw/zinc/77/35/91/1194773591.db2.gz OJEOKOMFLIVZEJ-UHFFFAOYSA-N 2 1 387.528 0.085 20 0 GCADMP C[C@@H]1C[NH+](CCOC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@@H](C)O1 ZINC000423641144 1194777044 /nfs/dbraw/zinc/77/70/44/1194777044.db2.gz HEJGRMATMOXVOZ-ZACQAIPSSA-N 2 1 396.532 0.053 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000423651309 1194779218 /nfs/dbraw/zinc/77/92/18/1194779218.db2.gz LSFJADORFQYSSY-WWMYMODYSA-N 2 1 388.512 0.291 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423658196 1194780715 /nfs/dbraw/zinc/78/07/15/1194780715.db2.gz XIXBIAHZRLMSCB-CBZIJGRNSA-N 2 1 380.533 0.530 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000423668603 1194782251 /nfs/dbraw/zinc/78/22/51/1194782251.db2.gz KGPURIKNDULJGV-ZWKOTPCHSA-N 2 1 382.549 0.922 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)[C@@H](C[NH3+])C1 ZINC000423683043 1194785436 /nfs/dbraw/zinc/78/54/36/1194785436.db2.gz WIZONSROPWIARH-HZPDHXFCSA-N 2 1 394.541 0.400 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000423686846 1194785906 /nfs/dbraw/zinc/78/59/06/1194785906.db2.gz ZNPSQULZENTWRU-OALUTQOASA-N 2 1 388.512 0.338 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000504357538 1194788816 /nfs/dbraw/zinc/78/88/16/1194788816.db2.gz KVHXCGMQWVRFPH-ZWKOTPCHSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000504357538 1194788818 /nfs/dbraw/zinc/78/88/18/1194788818.db2.gz KVHXCGMQWVRFPH-ZWKOTPCHSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423738918 1194792757 /nfs/dbraw/zinc/79/27/57/1194792757.db2.gz QTENAHNVFBACDR-BMFAXAFESA-N 2 1 394.560 0.920 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(CC(=O)NC)n1 ZINC000504614836 1194800549 /nfs/dbraw/zinc/80/05/49/1194800549.db2.gz PRPBNPNZRRRWBT-MRXNPFEDSA-N 2 1 393.536 0.817 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000424440598 1194811309 /nfs/dbraw/zinc/81/13/09/1194811309.db2.gz RAFMSCHGECMPTJ-SFHVURJKSA-N 2 1 375.517 0.780 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000424450569 1194812692 /nfs/dbraw/zinc/81/26/92/1194812692.db2.gz XYHWOOPXXYVCQP-UHFFFAOYSA-N 2 1 378.473 0.532 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000424450882 1194812814 /nfs/dbraw/zinc/81/28/14/1194812814.db2.gz BRYPJLUDLXINTE-IPMKNSEASA-N 2 1 392.548 0.993 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000424465403 1194813656 /nfs/dbraw/zinc/81/36/56/1194813656.db2.gz RSGMWFZVLUHZGW-QXCFHYIPSA-N 2 1 392.548 0.993 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCO1 ZINC000424494847 1194817356 /nfs/dbraw/zinc/81/73/56/1194817356.db2.gz OLNNWYKTMHPOBG-IPMKNSEASA-N 2 1 386.496 0.296 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)CC[NH2+]CC2 ZINC000424497300 1194818199 /nfs/dbraw/zinc/81/81/99/1194818199.db2.gz WSSSXRXQTQYOMK-INIZCTEOSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1)CC[NH2+]CC2 ZINC000424497302 1194818273 /nfs/dbraw/zinc/81/82/73/1194818273.db2.gz WSSSXRXQTQYOMK-MRXNPFEDSA-N 2 1 380.533 0.282 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424525731 1194822123 /nfs/dbraw/zinc/82/21/23/1194822123.db2.gz RCQZYXHIPDAFQA-BPQIPLTHSA-N 2 1 390.532 0.444 20 0 GCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543889 1194822649 /nfs/dbraw/zinc/82/26/49/1194822649.db2.gz KHBMVCVWCGFYDO-IPMKNSEASA-N 2 1 386.496 0.214 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000424558482 1194824873 /nfs/dbraw/zinc/82/48/73/1194824873.db2.gz WRHYYCOWCMOWRH-MSOLQXFVSA-N 2 1 393.576 0.365 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434450578 1194845254 /nfs/dbraw/zinc/84/52/54/1194845254.db2.gz QRLDVHWOQOORHS-OALUTQOASA-N 2 1 392.544 0.833 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434450578 1194845258 /nfs/dbraw/zinc/84/52/58/1194845258.db2.gz QRLDVHWOQOORHS-OALUTQOASA-N 2 1 392.544 0.833 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)[C@@H]2C1 ZINC000652730830 1194865460 /nfs/dbraw/zinc/86/54/60/1194865460.db2.gz QZZAUOMRVWLFAM-ICUGJSFKSA-N 2 1 378.517 0.284 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000664447095 1194869254 /nfs/dbraw/zinc/86/92/54/1194869254.db2.gz IOBILWFAJNISQB-OTWHNJEPSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664447095 1194869257 /nfs/dbraw/zinc/86/92/57/1194869257.db2.gz IOBILWFAJNISQB-OTWHNJEPSA-N 2 1 380.533 0.870 20 0 GCADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000505581598 1194880510 /nfs/dbraw/zinc/88/05/10/1194880510.db2.gz NYWQBEHJTSTKCF-RXVVDRJESA-N 2 1 392.544 0.644 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000505581598 1194880513 /nfs/dbraw/zinc/88/05/13/1194880513.db2.gz NYWQBEHJTSTKCF-RXVVDRJESA-N 2 1 392.544 0.644 20 0 GCADMP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000514622944 1194889049 /nfs/dbraw/zinc/88/90/49/1194889049.db2.gz ZJAHYORHPYMAFO-WMZOPIPTSA-N 2 1 394.560 0.671 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000514660389 1194891694 /nfs/dbraw/zinc/89/16/94/1194891694.db2.gz GTCQARUPFYTVQV-OAHLLOKOSA-N 2 1 375.473 0.956 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000514659000 1194891719 /nfs/dbraw/zinc/89/17/19/1194891719.db2.gz UUZADXBGMKXAAT-MSOLQXFVSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000514659000 1194891723 /nfs/dbraw/zinc/89/17/23/1194891723.db2.gz UUZADXBGMKXAAT-MSOLQXFVSA-N 2 1 394.560 0.767 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000514726098 1194898814 /nfs/dbraw/zinc/89/88/14/1194898814.db2.gz VFIYDAPBLZBJHX-AEFFLSMTSA-N 2 1 397.483 0.732 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000514726098 1194898821 /nfs/dbraw/zinc/89/88/21/1194898821.db2.gz VFIYDAPBLZBJHX-AEFFLSMTSA-N 2 1 397.483 0.732 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000514791541 1194909511 /nfs/dbraw/zinc/90/95/11/1194909511.db2.gz SBUYIBKQLVDQBE-PKOBYXMFSA-N 2 1 394.560 0.935 20 0 GCADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000435387509 1194926599 /nfs/dbraw/zinc/92/65/99/1194926599.db2.gz ALQUPSFWSBOUHJ-KRWDZBQOSA-N 2 1 377.485 0.974 20 0 GCADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 ZINC000435387509 1194926600 /nfs/dbraw/zinc/92/66/00/1194926600.db2.gz ALQUPSFWSBOUHJ-KRWDZBQOSA-N 2 1 377.485 0.974 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435377350 1194926931 /nfs/dbraw/zinc/92/69/31/1194926931.db2.gz APBNBAVCEVGKHI-SFHVURJKSA-N 2 1 388.512 0.879 20 0 GCADMP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000514930770 1194929901 /nfs/dbraw/zinc/92/99/01/1194929901.db2.gz VNXVVJXPQHIGCB-SQNIBIBYSA-N 2 1 378.517 0.015 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000425381200 1194932994 /nfs/dbraw/zinc/93/29/94/1194932994.db2.gz FMADFUJHXAGXFQ-UHFFFAOYSA-N 2 1 380.533 0.642 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000425382771 1194933806 /nfs/dbraw/zinc/93/38/06/1194933806.db2.gz HUBNLWAPSJWMJR-KRWDZBQOSA-N 2 1 380.533 0.642 20 0 GCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000515049729 1194941673 /nfs/dbraw/zinc/94/16/73/1194941673.db2.gz PILRJKJMHDNQON-GOSISDBHSA-N 2 1 389.544 0.818 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(C)C[C@H](O)CN2CCOCC2)C[C@@H](C)O1 ZINC000435585816 1194946164 /nfs/dbraw/zinc/94/61/64/1194946164.db2.gz VBKANMJBGQYPLT-ZACQAIPSSA-N 2 1 386.537 0.209 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000435801733 1194966009 /nfs/dbraw/zinc/96/60/09/1194966009.db2.gz UYZCJOFBEISEEM-MRXNPFEDSA-N 2 1 397.564 0.464 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000435801733 1194966010 /nfs/dbraw/zinc/96/60/10/1194966010.db2.gz UYZCJOFBEISEEM-MRXNPFEDSA-N 2 1 397.564 0.464 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000515406369 1194972937 /nfs/dbraw/zinc/97/29/37/1194972937.db2.gz QPEPWEHRRJNWEF-OWCLPIDISA-N 2 1 393.557 0.410 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1 ZINC000515576114 1194985416 /nfs/dbraw/zinc/98/54/16/1194985416.db2.gz CLSBQISOTJUPCJ-IBGZPJMESA-N 2 1 386.456 0.492 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000414878278 1194985434 /nfs/dbraw/zinc/98/54/34/1194985434.db2.gz ZADSHEKQADGHQS-NRFANRHFSA-N 2 1 382.464 0.837 20 0 GCADMP Cc1cc(N2CCC(NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000515673320 1194990251 /nfs/dbraw/zinc/99/02/51/1194990251.db2.gz UXGQLEZIUOWBGM-HOTGVXAUSA-N 2 1 387.488 0.016 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000436261523 1194994184 /nfs/dbraw/zinc/99/41/84/1194994184.db2.gz PCBLGQJBEVXXBM-CVEARBPZSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261523 1194994185 /nfs/dbraw/zinc/99/41/85/1194994185.db2.gz PCBLGQJBEVXXBM-CVEARBPZSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261523 1194994187 /nfs/dbraw/zinc/99/41/87/1194994187.db2.gz PCBLGQJBEVXXBM-CVEARBPZSA-N 2 1 383.537 0.060 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000515809146 1194998200 /nfs/dbraw/zinc/99/82/00/1194998200.db2.gz ISKSRZAPNDPPMC-RBUKOAKNSA-N 2 1 387.528 0.765 20 0 GCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000515846080 1195001591 /nfs/dbraw/zinc/00/15/91/1195001591.db2.gz BRNNOHIBJFPRCI-GJZGRUSLSA-N 2 1 380.514 0.902 20 0 GCADMP CCS(=O)(=O)N1CCC(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000516207720 1195033468 /nfs/dbraw/zinc/03/34/68/1195033468.db2.gz FLYQLEPVUDAXQN-UHFFFAOYSA-N 2 1 395.529 0.834 20 0 GCADMP C[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000516502155 1195060009 /nfs/dbraw/zinc/06/00/09/1195060009.db2.gz UYIWEGUUBBJUOY-SFHVURJKSA-N 2 1 380.533 0.690 20 0 GCADMP C[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCC1 ZINC000516502155 1195060010 /nfs/dbraw/zinc/06/00/10/1195060010.db2.gz UYIWEGUUBBJUOY-SFHVURJKSA-N 2 1 380.533 0.690 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000516558913 1195067069 /nfs/dbraw/zinc/06/70/69/1195067069.db2.gz FZNHRUXBPANXLQ-SOLBZPMBSA-N 2 1 380.533 0.687 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccco1 ZINC000288730155 1195071441 /nfs/dbraw/zinc/07/14/41/1195071441.db2.gz ZWOVWTULRMGRAV-GVDBMIGSSA-N 2 1 392.500 0.493 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000516635796 1195077780 /nfs/dbraw/zinc/07/77/80/1195077780.db2.gz MUTLKXWOFPJRQJ-CALCHBBNSA-N 2 1 394.560 0.840 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000549988646 1195087796 /nfs/dbraw/zinc/08/77/96/1195087796.db2.gz WHDJJQSLGLSNMT-DOTOQJQBSA-N 2 1 376.501 0.824 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000549988646 1195087800 /nfs/dbraw/zinc/08/78/00/1195087800.db2.gz WHDJJQSLGLSNMT-DOTOQJQBSA-N 2 1 376.501 0.824 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000516750705 1195090265 /nfs/dbraw/zinc/09/02/65/1195090265.db2.gz FZRWOQFZCOAYFZ-RBUKOAKNSA-N 2 1 389.544 0.361 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000516835730 1195102239 /nfs/dbraw/zinc/10/22/39/1195102239.db2.gz MMMHZLUFJAMWOH-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000516835730 1195102240 /nfs/dbraw/zinc/10/22/40/1195102240.db2.gz MMMHZLUFJAMWOH-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCCCN1CC[NH+](C)CC1 ZINC000516835730 1195102241 /nfs/dbraw/zinc/10/22/41/1195102241.db2.gz MMMHZLUFJAMWOH-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP CO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000516856345 1195103936 /nfs/dbraw/zinc/10/39/36/1195103936.db2.gz CRZGOFOBMISZPG-FGTMMUONSA-N 2 1 390.532 0.740 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1ccc(C(N)=O)cc1F ZINC000437415215 1195108315 /nfs/dbraw/zinc/10/83/15/1195108315.db2.gz SYXYUADOEWIYNE-UHFFFAOYSA-N 2 1 393.463 0.348 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000516882026 1195108806 /nfs/dbraw/zinc/10/88/06/1195108806.db2.gz LYXYJAUIWZACKO-OTWHNJEPSA-N 2 1 396.576 0.945 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C[NH+]1CCOCC1 ZINC000516882026 1195108809 /nfs/dbraw/zinc/10/88/09/1195108809.db2.gz LYXYJAUIWZACKO-OTWHNJEPSA-N 2 1 396.576 0.945 20 0 GCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3cccc(CN4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000425820307 1195122837 /nfs/dbraw/zinc/12/28/37/1195122837.db2.gz NRZIWJUGTBDGAR-AZUAARDMSA-N 2 1 399.539 0.925 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517020291 1195125137 /nfs/dbraw/zinc/12/51/37/1195125137.db2.gz RSMPZUFNCOZNFI-CVEARBPZSA-N 2 1 395.573 0.642 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045087 1195129810 /nfs/dbraw/zinc/12/98/10/1195129810.db2.gz NXOHUULZCOHGBC-RTBURBONSA-N 2 1 395.592 0.755 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000425857271 1195138542 /nfs/dbraw/zinc/13/85/42/1195138542.db2.gz AHKCIJPFMAXRSL-UHFFFAOYSA-N 2 1 382.549 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000425887205 1195152263 /nfs/dbraw/zinc/15/22/63/1195152263.db2.gz JYQHXNSRPWFWAH-KRWDZBQOSA-N 2 1 398.548 0.173 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000425887205 1195152265 /nfs/dbraw/zinc/15/22/65/1195152265.db2.gz JYQHXNSRPWFWAH-KRWDZBQOSA-N 2 1 398.548 0.173 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000437772387 1195155317 /nfs/dbraw/zinc/15/53/17/1195155317.db2.gz HNUSWZVBGKOMDT-UHFFFAOYSA-N 2 1 375.477 1.274 20 0 GCADMP C[C@@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526000 1195188745 /nfs/dbraw/zinc/18/87/45/1195188745.db2.gz CXBYRRFLIYISMG-IAGOWNOFSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@H]1C ZINC000517526000 1195188746 /nfs/dbraw/zinc/18/87/46/1195188746.db2.gz CXBYRRFLIYISMG-IAGOWNOFSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@H]1C ZINC000517526000 1195188747 /nfs/dbraw/zinc/18/87/47/1195188747.db2.gz CXBYRRFLIYISMG-IAGOWNOFSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526000 1195188749 /nfs/dbraw/zinc/18/87/49/1195188749.db2.gz CXBYRRFLIYISMG-IAGOWNOFSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@H]1C ZINC000517526000 1195188751 /nfs/dbraw/zinc/18/87/51/1195188751.db2.gz CXBYRRFLIYISMG-IAGOWNOFSA-N 2 1 380.533 0.377 20 0 GCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000517720991 1195209846 /nfs/dbraw/zinc/20/98/46/1195209846.db2.gz DCKOXVZRJSJQMV-IBGZPJMESA-N 2 1 390.528 0.898 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866909 1195226303 /nfs/dbraw/zinc/22/63/03/1195226303.db2.gz FILMLTIOWDMXSC-ZWKOTPCHSA-N 2 1 397.564 0.620 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000517866909 1195226308 /nfs/dbraw/zinc/22/63/08/1195226308.db2.gz FILMLTIOWDMXSC-ZWKOTPCHSA-N 2 1 397.564 0.620 20 0 GCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000517903262 1195227620 /nfs/dbraw/zinc/22/76/20/1195227620.db2.gz YSANURNXWSHHPJ-ROUUACIJSA-N 2 1 390.553 0.918 20 0 GCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000517903262 1195227624 /nfs/dbraw/zinc/22/76/24/1195227624.db2.gz YSANURNXWSHHPJ-ROUUACIJSA-N 2 1 390.553 0.918 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000438615625 1195230666 /nfs/dbraw/zinc/23/06/66/1195230666.db2.gz SVPYOBCLIYJKIE-KRWDZBQOSA-N 2 1 380.533 0.642 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000518200243 1195266624 /nfs/dbraw/zinc/26/66/24/1195266624.db2.gz JHZQZHMCGYYSJX-ROUUACIJSA-N 2 1 392.544 0.690 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)Cc2ccccc2C1 ZINC000506438392 1195269031 /nfs/dbraw/zinc/26/90/31/1195269031.db2.gz MAUMNICHOYAWII-UHFFFAOYSA-N 2 1 384.524 0.756 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000518332215 1195280346 /nfs/dbraw/zinc/28/03/46/1195280346.db2.gz KPAGWIPSGUMDHJ-UHFFFAOYSA-N 2 1 395.548 0.483 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000426385644 1195320201 /nfs/dbraw/zinc/32/02/01/1195320201.db2.gz PRKCHYDIJAVQPF-RLLQIKCJSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000426385644 1195320204 /nfs/dbraw/zinc/32/02/04/1195320204.db2.gz PRKCHYDIJAVQPF-RLLQIKCJSA-N 2 1 390.528 0.889 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000518738546 1195324916 /nfs/dbraw/zinc/32/49/16/1195324916.db2.gz XQRYXASVQRVSGC-ROUUACIJSA-N 2 1 381.565 0.221 20 0 GCADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771447 1195330216 /nfs/dbraw/zinc/33/02/16/1195330216.db2.gz PQGIRHQAZAMNRV-GJZGRUSLSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771447 1195330219 /nfs/dbraw/zinc/33/02/19/1195330219.db2.gz PQGIRHQAZAMNRV-GJZGRUSLSA-N 2 1 398.504 0.328 20 0 GCADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000297207588 1195331253 /nfs/dbraw/zinc/33/12/53/1195331253.db2.gz DVTARSYAPKZDHK-LJQANCHMSA-N 2 1 376.501 0.427 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000297207588 1195331256 /nfs/dbraw/zinc/33/12/56/1195331256.db2.gz DVTARSYAPKZDHK-LJQANCHMSA-N 2 1 376.501 0.427 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000297207588 1195331260 /nfs/dbraw/zinc/33/12/60/1195331260.db2.gz DVTARSYAPKZDHK-LJQANCHMSA-N 2 1 376.501 0.427 20 0 GCADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)C(=O)N1CCOCC1 ZINC000439651355 1195339584 /nfs/dbraw/zinc/33/95/84/1195339584.db2.gz ZYWFFJGLZKEYKN-ROUUACIJSA-N 2 1 397.564 0.681 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000518861701 1195341254 /nfs/dbraw/zinc/34/12/54/1195341254.db2.gz VYGRDMCXFYYBDO-UHFFFAOYSA-N 2 1 397.564 0.728 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000519117153 1195371752 /nfs/dbraw/zinc/37/17/52/1195371752.db2.gz RPYCDTHNDWDYBP-FQEVSTJZSA-N 2 1 387.528 0.708 20 0 GCADMP COC(=O)c1ccc(OC[C@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000519142909 1195372682 /nfs/dbraw/zinc/37/26/82/1195372682.db2.gz CQMZUFKYOBSOLX-QGZVFWFLSA-N 2 1 379.501 0.829 20 0 GCADMP COc1cccc([C@@H](CNC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)[NH+](C)C)c1 ZINC000550029558 1195408273 /nfs/dbraw/zinc/40/82/73/1195408273.db2.gz RFWMZZRDYVQELJ-CRAIPNDOSA-N 2 1 376.501 0.967 20 0 GCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@H+](CC)C3)O2)C1 ZINC000426648114 1195412902 /nfs/dbraw/zinc/41/29/02/1195412902.db2.gz RMKBTOMRDBFANR-MHORFTMASA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CC[N@H+](CC)C3)O2)C1 ZINC000426648114 1195412906 /nfs/dbraw/zinc/41/29/06/1195412906.db2.gz RMKBTOMRDBFANR-MHORFTMASA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CC[N@@H+](CC)C3)O2)C1 ZINC000426648114 1195412912 /nfs/dbraw/zinc/41/29/12/1195412912.db2.gz RMKBTOMRDBFANR-MHORFTMASA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)NC[C@H]3CC[N@H+](CC)C3)O2)C1 ZINC000426648115 1195413022 /nfs/dbraw/zinc/41/30/22/1195413022.db2.gz RMKBTOMRDBFANR-TVFCKZIOSA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@H+](CC)C3)O2)C1 ZINC000426648115 1195413026 /nfs/dbraw/zinc/41/30/26/1195413026.db2.gz RMKBTOMRDBFANR-TVFCKZIOSA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@@H+](CC)C3)O2)C1 ZINC000426648115 1195413030 /nfs/dbraw/zinc/41/30/30/1195413030.db2.gz RMKBTOMRDBFANR-TVFCKZIOSA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000550035651 1195419146 /nfs/dbraw/zinc/41/91/46/1195419146.db2.gz VKDVZFNREPRKSY-CALCHBBNSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519530032 1195425804 /nfs/dbraw/zinc/42/58/04/1195425804.db2.gz HOKJKJGWXIYBLM-QXAKKESOSA-N 2 1 375.517 0.479 20 0 GCADMP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519530032 1195425808 /nfs/dbraw/zinc/42/58/08/1195425808.db2.gz HOKJKJGWXIYBLM-QXAKKESOSA-N 2 1 375.517 0.479 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000550095326 1195435462 /nfs/dbraw/zinc/43/54/62/1195435462.db2.gz HMQWZXGFRRNCHW-MSOLQXFVSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000550096139 1195435604 /nfs/dbraw/zinc/43/56/04/1195435604.db2.gz VCDWZOFZLYGICB-IAGOWNOFSA-N 2 1 377.489 0.347 20 0 GCADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CCC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000262042692 1195441827 /nfs/dbraw/zinc/44/18/27/1195441827.db2.gz HTYXIPDIIDMRDO-GOSISDBHSA-N 2 1 390.484 0.563 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000120876632 1195445024 /nfs/dbraw/zinc/44/50/24/1195445024.db2.gz QLAIGGZQIFHEGJ-MSOLQXFVSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000120876632 1195445027 /nfs/dbraw/zinc/44/50/27/1195445027.db2.gz QLAIGGZQIFHEGJ-MSOLQXFVSA-N 2 1 379.549 0.912 20 0 GCADMP COc1cc[nH+]c(N2CCN(CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)CC2)c1 ZINC000729468435 1195467819 /nfs/dbraw/zinc/46/78/19/1195467819.db2.gz RTSTWSYAQLWZGR-UHFFFAOYSA-N 2 1 388.472 0.186 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000426918126 1195492168 /nfs/dbraw/zinc/49/21/68/1195492168.db2.gz ITQOAOAJXPMDGO-UHFFFAOYSA-N 2 1 376.505 1.031 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000427379472 1195530956 /nfs/dbraw/zinc/53/09/56/1195530956.db2.gz KCFVCGBASFGTER-MRXNPFEDSA-N 2 1 376.505 0.887 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000427379472 1195530957 /nfs/dbraw/zinc/53/09/57/1195530957.db2.gz KCFVCGBASFGTER-MRXNPFEDSA-N 2 1 376.505 0.887 20 0 GCADMP CCO[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427465062 1195543079 /nfs/dbraw/zinc/54/30/79/1195543079.db2.gz GFOIDIVEEOWEOL-LDLYASANSA-N 2 1 392.544 0.878 20 0 GCADMP CCO[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427465062 1195543081 /nfs/dbraw/zinc/54/30/81/1195543081.db2.gz GFOIDIVEEOWEOL-LDLYASANSA-N 2 1 392.544 0.878 20 0 GCADMP CCO[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427465062 1195543084 /nfs/dbraw/zinc/54/30/84/1195543084.db2.gz GFOIDIVEEOWEOL-LDLYASANSA-N 2 1 392.544 0.878 20 0 GCADMP CN1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633203 1195559911 /nfs/dbraw/zinc/55/99/11/1195559911.db2.gz VQEISMHXCLESOE-WOJBJXKFSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633203 1195559916 /nfs/dbraw/zinc/55/99/16/1195559916.db2.gz VQEISMHXCLESOE-WOJBJXKFSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000519633203 1195559918 /nfs/dbraw/zinc/55/99/18/1195559918.db2.gz VQEISMHXCLESOE-WOJBJXKFSA-N 2 1 388.560 0.650 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCN(C)C[C@H]2C[NH3+])CC1)CC1CC1 ZINC000519698834 1195563731 /nfs/dbraw/zinc/56/37/31/1195563731.db2.gz LPGNAFRWNGCOAH-LJQANCHMSA-N 2 1 393.576 0.448 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000519704555 1195564093 /nfs/dbraw/zinc/56/40/93/1195564093.db2.gz DXMRXOHGCRNAKT-IAGOWNOFSA-N 2 1 380.533 0.452 20 0 GCADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1S(N)(=O)=O ZINC000519712210 1195567004 /nfs/dbraw/zinc/56/70/04/1195567004.db2.gz ZJMLASRMOMUGLU-XHSDSOJGSA-N 2 1 383.514 0.632 20 0 GCADMP COCC[NH2+]C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000519828630 1195574065 /nfs/dbraw/zinc/57/40/65/1195574065.db2.gz QXSLBPPPDFZSNF-GOSISDBHSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000440968697 1195592945 /nfs/dbraw/zinc/59/29/45/1195592945.db2.gz WMFJYENTIBCRFK-JTDSTZFVSA-N 2 1 388.512 0.780 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC000440993258 1195594413 /nfs/dbraw/zinc/59/44/13/1195594413.db2.gz QJGQMYPSMLISGV-MRXNPFEDSA-N 2 1 383.537 0.291 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@H](C)C1 ZINC000440993258 1195594416 /nfs/dbraw/zinc/59/44/16/1195594416.db2.gz QJGQMYPSMLISGV-MRXNPFEDSA-N 2 1 383.537 0.291 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000440993258 1195594417 /nfs/dbraw/zinc/59/44/17/1195594417.db2.gz QJGQMYPSMLISGV-MRXNPFEDSA-N 2 1 383.537 0.291 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)[C@H](C)C1 ZINC000440993258 1195594421 /nfs/dbraw/zinc/59/44/21/1195594421.db2.gz QJGQMYPSMLISGV-MRXNPFEDSA-N 2 1 383.537 0.291 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441018363 1195597314 /nfs/dbraw/zinc/59/73/14/1195597314.db2.gz FZAKEISVLCQANW-QGZVFWFLSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441018363 1195597315 /nfs/dbraw/zinc/59/73/15/1195597315.db2.gz FZAKEISVLCQANW-QGZVFWFLSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441018363 1195597318 /nfs/dbraw/zinc/59/73/18/1195597318.db2.gz FZAKEISVLCQANW-QGZVFWFLSA-N 2 1 396.580 0.254 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)ccn1 ZINC000441054813 1195600583 /nfs/dbraw/zinc/60/05/83/1195600583.db2.gz YEUYIAPMLQHEIH-UHFFFAOYSA-N 2 1 392.548 0.847 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000425909454 1195605178 /nfs/dbraw/zinc/60/51/78/1195605178.db2.gz OXJOSHBGCYTJAE-INIZCTEOSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000425909454 1195605182 /nfs/dbraw/zinc/60/51/82/1195605182.db2.gz OXJOSHBGCYTJAE-INIZCTEOSA-N 2 1 382.549 0.792 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C[C@@H](C)O ZINC000520359139 1195626584 /nfs/dbraw/zinc/62/65/84/1195626584.db2.gz PHEARYPMVDLGIX-MBOZVWFJSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C[C@@H](C)O ZINC000520359139 1195626586 /nfs/dbraw/zinc/62/65/86/1195626586.db2.gz PHEARYPMVDLGIX-MBOZVWFJSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C[C@@H](C)O ZINC000520359139 1195626589 /nfs/dbraw/zinc/62/65/89/1195626589.db2.gz PHEARYPMVDLGIX-MBOZVWFJSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C[C@@H](C)O ZINC000520359139 1195626592 /nfs/dbraw/zinc/62/65/92/1195626592.db2.gz PHEARYPMVDLGIX-MBOZVWFJSA-N 2 1 380.533 0.234 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000112680399 1195640072 /nfs/dbraw/zinc/64/00/72/1195640072.db2.gz UCADMZLSFKHXDW-QGZVFWFLSA-N 2 1 382.549 0.698 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372208 1195646237 /nfs/dbraw/zinc/64/62/37/1195646237.db2.gz OUGJOHZLEAHWLR-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)[NH+](C)C ZINC000550367677 1195646609 /nfs/dbraw/zinc/64/66/09/1195646609.db2.gz HQGMEFKEMVVSKU-BPQIPLTHSA-N 2 1 388.512 0.967 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)[NH+](C)C ZINC000550367677 1195646611 /nfs/dbraw/zinc/64/66/11/1195646611.db2.gz HQGMEFKEMVVSKU-BPQIPLTHSA-N 2 1 388.512 0.967 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N1CCC[N@H+](C(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000550380886 1195648523 /nfs/dbraw/zinc/64/85/23/1195648523.db2.gz CDMIIBSMKVZUBN-SFHVURJKSA-N 2 1 395.592 0.707 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)[NH+]1CCN(C)CC1 ZINC000550380894 1195648767 /nfs/dbraw/zinc/64/87/67/1195648767.db2.gz CEWVOGDGTTWDOW-OALUTQOASA-N 2 1 395.592 0.613 20 0 GCADMP C[NH+]1CCC(CNC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)(N2CCOCC2)CC1 ZINC000334117230 1195693505 /nfs/dbraw/zinc/69/35/05/1195693505.db2.gz IDTKTTMRBNXSGR-GOSISDBHSA-N 2 1 379.549 0.663 20 0 GCADMP CC[C@@H](CNS(C)(=O)=O)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000458982098 1195743295 /nfs/dbraw/zinc/74/32/95/1195743295.db2.gz PQCPEUNWBGKVGZ-JKSUJKDBSA-N 2 1 391.582 0.372 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000729496631 1195749649 /nfs/dbraw/zinc/74/96/49/1195749649.db2.gz JZEVJMRPUAPATJ-PMACEKPBSA-N 2 1 387.528 0.971 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000729496631 1195749651 /nfs/dbraw/zinc/74/96/51/1195749651.db2.gz JZEVJMRPUAPATJ-PMACEKPBSA-N 2 1 387.528 0.971 20 0 GCADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000520773689 1195852689 /nfs/dbraw/zinc/85/26/89/1195852689.db2.gz WMOWEDPGQDZMTE-SFHVURJKSA-N 2 1 375.517 0.244 20 0 GCADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417791981 1195858780 /nfs/dbraw/zinc/85/87/80/1195858780.db2.gz KALLAIUVKGOECJ-ZWKOTPCHSA-N 2 1 377.533 0.857 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000417791981 1195858784 /nfs/dbraw/zinc/85/87/84/1195858784.db2.gz KALLAIUVKGOECJ-ZWKOTPCHSA-N 2 1 377.533 0.857 20 0 GCADMP CCCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000507922631 1195874173 /nfs/dbraw/zinc/87/41/73/1195874173.db2.gz LHZHZCQFODZTOJ-UHFFFAOYSA-N 2 1 395.548 0.926 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[NH+](C)C2CC2)O1 ZINC000427821116 1195881686 /nfs/dbraw/zinc/88/16/86/1195881686.db2.gz AQEHVPSIJCEHJZ-HDICACEKSA-N 2 1 380.533 0.639 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[N@H+](C)C2CC2)O1 ZINC000427821116 1195881690 /nfs/dbraw/zinc/88/16/90/1195881690.db2.gz AQEHVPSIJCEHJZ-HDICACEKSA-N 2 1 380.533 0.639 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[C@@H](C(=O)N(C)CC[N@@H+](C)C2CC2)O1 ZINC000427821116 1195881695 /nfs/dbraw/zinc/88/16/95/1195881695.db2.gz AQEHVPSIJCEHJZ-HDICACEKSA-N 2 1 380.533 0.639 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@@H+](C)[C@H]3C)O2)CCC[NH+]1C ZINC000427898323 1195890749 /nfs/dbraw/zinc/89/07/49/1195890749.db2.gz AIFALPJLVKMJNA-NWCWSAAOSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[NH+](C)[C@H]3C)O2)CCC[N@@H+]1C ZINC000427898323 1195890752 /nfs/dbraw/zinc/89/07/52/1195890752.db2.gz AIFALPJLVKMJNA-NWCWSAAOSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[NH+](C)[C@H]3C)O2)CCC[N@H+]1C ZINC000427898323 1195890757 /nfs/dbraw/zinc/89/07/57/1195890757.db2.gz AIFALPJLVKMJNA-NWCWSAAOSA-N 2 1 380.533 0.732 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428027536 1195905572 /nfs/dbraw/zinc/90/55/72/1195905572.db2.gz ALEOZXUQZZWASI-DOTOQJQBSA-N 2 1 380.514 0.067 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428027536 1195905575 /nfs/dbraw/zinc/90/55/75/1195905575.db2.gz ALEOZXUQZZWASI-DOTOQJQBSA-N 2 1 380.514 0.067 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000520818316 1195925900 /nfs/dbraw/zinc/92/59/00/1195925900.db2.gz GAFXBRYSNJRXFI-UHFFFAOYSA-N 2 1 382.512 0.900 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1 ZINC000442005666 1195941591 /nfs/dbraw/zinc/94/15/91/1195941591.db2.gz XWCYXYZSDORCKH-MRXNPFEDSA-N 2 1 378.473 0.402 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066739 1195959276 /nfs/dbraw/zinc/95/92/76/1195959276.db2.gz OHYMYTHTGHHJBC-RBUKOAKNSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000442167144 1195959418 /nfs/dbraw/zinc/95/94/18/1195959418.db2.gz XSQCHJABIWOGPX-QFBILLFUSA-N 2 1 387.528 0.971 20 0 GCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521128699 1195966723 /nfs/dbraw/zinc/96/67/23/1195966723.db2.gz YGCWLFUSXULOFA-ZWKOTPCHSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521128699 1195966724 /nfs/dbraw/zinc/96/67/24/1195966724.db2.gz YGCWLFUSXULOFA-ZWKOTPCHSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521128698 1195966874 /nfs/dbraw/zinc/96/68/74/1195966874.db2.gz YGCWLFUSXULOFA-ROUUACIJSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521128698 1195966875 /nfs/dbraw/zinc/96/68/75/1195966875.db2.gz YGCWLFUSXULOFA-ROUUACIJSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521128696 1195966946 /nfs/dbraw/zinc/96/69/46/1195966946.db2.gz YGCWLFUSXULOFA-MSOLQXFVSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000521128696 1195966947 /nfs/dbraw/zinc/96/69/47/1195966947.db2.gz YGCWLFUSXULOFA-MSOLQXFVSA-N 2 1 380.533 0.690 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457390 1195968089 /nfs/dbraw/zinc/96/80/89/1195968089.db2.gz QWKOVSQPNOGXHZ-FCGDIQPGSA-N 2 1 396.576 0.942 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457390 1195968091 /nfs/dbraw/zinc/96/80/91/1195968091.db2.gz QWKOVSQPNOGXHZ-FCGDIQPGSA-N 2 1 396.576 0.942 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000550457390 1195968093 /nfs/dbraw/zinc/96/80/93/1195968093.db2.gz QWKOVSQPNOGXHZ-FCGDIQPGSA-N 2 1 396.576 0.942 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000521233330 1195980950 /nfs/dbraw/zinc/98/09/50/1195980950.db2.gz FVBAYFLFUOSQRH-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCN(C)CC1 ZINC000442366090 1195981289 /nfs/dbraw/zinc/98/12/89/1195981289.db2.gz AIHRBCHEQHAIOA-SFHVURJKSA-N 2 1 382.597 0.584 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000550458449 1195983495 /nfs/dbraw/zinc/98/34/95/1195983495.db2.gz URSMELBVCOISHM-LJQANCHMSA-N 2 1 390.528 0.837 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001075810750 1195994455 /nfs/dbraw/zinc/99/44/55/1195994455.db2.gz VQBWHKFRXHLRAQ-CYGHRXIMSA-N 2 1 378.517 0.155 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001075810750 1195994456 /nfs/dbraw/zinc/99/44/56/1195994456.db2.gz VQBWHKFRXHLRAQ-CYGHRXIMSA-N 2 1 378.517 0.155 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001075810750 1195994457 /nfs/dbraw/zinc/99/44/57/1195994457.db2.gz VQBWHKFRXHLRAQ-CYGHRXIMSA-N 2 1 378.517 0.155 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001075810750 1195994459 /nfs/dbraw/zinc/99/44/59/1195994459.db2.gz VQBWHKFRXHLRAQ-CYGHRXIMSA-N 2 1 378.517 0.155 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[N@H+]1C ZINC001075810718 1195995312 /nfs/dbraw/zinc/99/53/12/1195995312.db2.gz TUSGNKDAZLPPGM-QKPAOTATSA-N 2 1 391.516 0.190 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[NH+]1C ZINC001075810718 1195995313 /nfs/dbraw/zinc/99/53/13/1195995313.db2.gz TUSGNKDAZLPPGM-QKPAOTATSA-N 2 1 391.516 0.190 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[NH+]1C ZINC001075810718 1195995315 /nfs/dbraw/zinc/99/53/15/1195995315.db2.gz TUSGNKDAZLPPGM-QKPAOTATSA-N 2 1 391.516 0.190 20 0 GCADMP CC(C)([NH3+])c1noc(CN2C(=O)N[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2=O)n1 ZINC000521432172 1195996125 /nfs/dbraw/zinc/99/61/25/1195996125.db2.gz QNOMBRHQIVYTQL-IBGZPJMESA-N 2 1 384.440 0.960 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000521625816 1196008573 /nfs/dbraw/zinc/00/85/73/1196008573.db2.gz ORRZGBYMPRGXKN-DLBZAZTESA-N 2 1 375.517 0.509 20 0 GCADMP C[C@H](C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061649 1196017538 /nfs/dbraw/zinc/01/75/38/1196017538.db2.gz RWZLDYLCRYJABO-ZNMIVQPWSA-N 2 1 382.530 0.961 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000521926228 1196026129 /nfs/dbraw/zinc/02/61/29/1196026129.db2.gz DIANLMRXGFRWSL-SFHVURJKSA-N 2 1 381.565 0.223 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[N@H+]1C ZINC001075813684 1196048818 /nfs/dbraw/zinc/04/88/18/1196048818.db2.gz UIRRQGJQASPBCU-MWDXBVQZSA-N 2 1 391.516 0.191 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC001075813684 1196048820 /nfs/dbraw/zinc/04/88/20/1196048820.db2.gz UIRRQGJQASPBCU-MWDXBVQZSA-N 2 1 391.516 0.191 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCCN4C(=O)CNC4=O)C[C@H]32)CC[NH+]1C ZINC001075813684 1196048824 /nfs/dbraw/zinc/04/88/24/1196048824.db2.gz UIRRQGJQASPBCU-MWDXBVQZSA-N 2 1 391.516 0.191 20 0 GCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000550480154 1196052122 /nfs/dbraw/zinc/05/21/22/1196052122.db2.gz JQLNTYFANTWRBH-UHFFFAOYSA-N 2 1 390.528 0.670 20 0 GCADMP C[C@@H](O)C[N@@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000550484330 1196054653 /nfs/dbraw/zinc/05/46/53/1196054653.db2.gz QCHBSJVNELKXES-HZPDHXFCSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC000550484330 1196054658 /nfs/dbraw/zinc/05/46/58/1196054658.db2.gz QCHBSJVNELKXES-HZPDHXFCSA-N 2 1 376.501 0.278 20 0 GCADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516403 1196064116 /nfs/dbraw/zinc/06/41/16/1196064116.db2.gz MUZIGNQIBVURAB-IAGOWNOFSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000550518527 1196071561 /nfs/dbraw/zinc/07/15/61/1196071561.db2.gz DYFSUPLMOBEEFX-AEFFLSMTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000550518527 1196071563 /nfs/dbraw/zinc/07/15/63/1196071563.db2.gz DYFSUPLMOBEEFX-AEFFLSMTSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000550518527 1196071566 /nfs/dbraw/zinc/07/15/66/1196071566.db2.gz DYFSUPLMOBEEFX-AEFFLSMTSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550519416 1196072065 /nfs/dbraw/zinc/07/20/65/1196072065.db2.gz OETHZFNCFJIBGB-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519416 1196072068 /nfs/dbraw/zinc/07/20/68/1196072068.db2.gz OETHZFNCFJIBGB-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550519416 1196072069 /nfs/dbraw/zinc/07/20/69/1196072069.db2.gz OETHZFNCFJIBGB-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C(=O)[C@@H]1C[NH+](C)C[C@@H]1C ZINC000487437596 1196085713 /nfs/dbraw/zinc/08/57/13/1196085713.db2.gz YFXYTWWDBHGEHS-YDZRNGNQSA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487437596 1196085714 /nfs/dbraw/zinc/08/57/14/1196085714.db2.gz YFXYTWWDBHGEHS-YDZRNGNQSA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487437596 1196085717 /nfs/dbraw/zinc/08/57/17/1196085717.db2.gz YFXYTWWDBHGEHS-YDZRNGNQSA-N 2 1 396.576 0.752 20 0 GCADMP O=C1[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1c1ccccc1F ZINC000114501913 1196101225 /nfs/dbraw/zinc/10/12/25/1196101225.db2.gz FVXRIGDDIPLMBX-GOSISDBHSA-N 2 1 378.492 0.911 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[N@H+]1C ZINC000895737474 1196111097 /nfs/dbraw/zinc/11/10/97/1196111097.db2.gz WDOLNDKJBKZWRD-GEEKYZPCSA-N 2 1 390.536 0.717 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@H+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737474 1196111100 /nfs/dbraw/zinc/11/11/00/1196111100.db2.gz WDOLNDKJBKZWRD-GEEKYZPCSA-N 2 1 390.536 0.717 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@@H+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737474 1196111101 /nfs/dbraw/zinc/11/11/01/1196111101.db2.gz WDOLNDKJBKZWRD-GEEKYZPCSA-N 2 1 390.536 0.717 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895841783 1196113862 /nfs/dbraw/zinc/11/38/62/1196113862.db2.gz IBYFKRAXTVCUHC-INDMIFKZSA-N 2 1 392.544 0.870 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895841783 1196113864 /nfs/dbraw/zinc/11/38/64/1196113864.db2.gz IBYFKRAXTVCUHC-INDMIFKZSA-N 2 1 392.544 0.870 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000840300022 1196115396 /nfs/dbraw/zinc/11/53/96/1196115396.db2.gz YPFGUUKEWWRGDU-LJQANCHMSA-N 2 1 398.548 0.618 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)O2)CC[NH+]1C ZINC000332991519 1196146988 /nfs/dbraw/zinc/14/69/88/1196146988.db2.gz BXCZVHUEALGEKE-BLONOQDTSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)O2)CC[NH+]1C ZINC000332991519 1196146990 /nfs/dbraw/zinc/14/69/90/1196146990.db2.gz BXCZVHUEALGEKE-BLONOQDTSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)O2)CC[NH+]1C ZINC000332991519 1196146993 /nfs/dbraw/zinc/14/69/93/1196146993.db2.gz BXCZVHUEALGEKE-BLONOQDTSA-N 2 1 380.533 0.732 20 0 GCADMP O=C(CC(O)CC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)N1CC[NH+]2CCCC[C@@H]2C1 ZINC000329214855 1196177232 /nfs/dbraw/zinc/17/72/32/1196177232.db2.gz LULJQZXXMTZQPG-QZTJIDSGSA-N 2 1 392.544 0.521 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@@H](C)C1 ZINC000665460577 1196183879 /nfs/dbraw/zinc/18/38/79/1196183879.db2.gz OSOQZUFPEATFMO-DLBZAZTESA-N 2 1 382.549 0.974 20 0 GCADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329358043 1196188653 /nfs/dbraw/zinc/18/86/53/1196188653.db2.gz GCIOEQQHKCVMTD-QRVBRYPASA-N 2 1 392.544 0.785 20 0 GCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012228 1196216918 /nfs/dbraw/zinc/21/69/18/1196216918.db2.gz ZIIWBVUYACRJGS-DQEVTTJGSA-N 2 1 390.532 0.394 20 0 GCADMP Cc1nc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012228 1196216922 /nfs/dbraw/zinc/21/69/22/1196216922.db2.gz ZIIWBVUYACRJGS-DQEVTTJGSA-N 2 1 390.532 0.394 20 0 GCADMP Cc1nc(C)n(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012228 1196216923 /nfs/dbraw/zinc/21/69/23/1196216923.db2.gz ZIIWBVUYACRJGS-DQEVTTJGSA-N 2 1 390.532 0.394 20 0 GCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)C[C@@H]3C2)n1 ZINC001088012228 1196216927 /nfs/dbraw/zinc/21/69/27/1196216927.db2.gz ZIIWBVUYACRJGS-DQEVTTJGSA-N 2 1 390.532 0.394 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)O1 ZINC001088011637 1196217090 /nfs/dbraw/zinc/21/70/90/1196217090.db2.gz WSOUUAZTRUIYLA-XLMAVXFVSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)O1 ZINC001088011637 1196217093 /nfs/dbraw/zinc/21/70/93/1196217093.db2.gz WSOUUAZTRUIYLA-XLMAVXFVSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)O1 ZINC001088011637 1196217095 /nfs/dbraw/zinc/21/70/95/1196217095.db2.gz WSOUUAZTRUIYLA-XLMAVXFVSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N(C)C4CC4)CC[C@@H]3C2)O1 ZINC001088011637 1196217097 /nfs/dbraw/zinc/21/70/97/1196217097.db2.gz WSOUUAZTRUIYLA-XLMAVXFVSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011580 1196217422 /nfs/dbraw/zinc/21/74/22/1196217422.db2.gz UIBSTSHMQKXOPU-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011580 1196217423 /nfs/dbraw/zinc/21/74/23/1196217423.db2.gz UIBSTSHMQKXOPU-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011580 1196217425 /nfs/dbraw/zinc/21/74/25/1196217425.db2.gz UIBSTSHMQKXOPU-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCN4CCCC4=O)CC[C@@H]3C2)O1 ZINC001088011580 1196217428 /nfs/dbraw/zinc/21/74/28/1196217428.db2.gz UIBSTSHMQKXOPU-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329872964 1196235467 /nfs/dbraw/zinc/23/54/67/1196235467.db2.gz DLWCGKZZBIVUND-ROUUACIJSA-N 2 1 393.576 0.556 20 0 GCADMP CN(C(=O)CN1CCN(C)C(=O)C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000444234773 1196366648 /nfs/dbraw/zinc/36/66/48/1196366648.db2.gz FHDBNORYAOXXMJ-RTBURBONSA-N 2 1 393.576 0.556 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1C ZINC000665594325 1196384693 /nfs/dbraw/zinc/38/46/93/1196384693.db2.gz YEYYSYBQABDWRD-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000665594325 1196384696 /nfs/dbraw/zinc/38/46/96/1196384696.db2.gz YEYYSYBQABDWRD-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCCC[N@H+]1C ZINC000665594325 1196384700 /nfs/dbraw/zinc/38/47/00/1196384700.db2.gz YEYYSYBQABDWRD-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000129733263 1196406733 /nfs/dbraw/zinc/40/67/33/1196406733.db2.gz NAXPDYCRCFZGPK-CQSZACIVSA-N 2 1 385.534 0.161 20 0 GCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000475529931 1196463540 /nfs/dbraw/zinc/46/35/40/1196463540.db2.gz RDRDQDVTFWCCJZ-HNNXBMFYSA-N 2 1 387.488 0.540 20 0 GCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000475529931 1196463544 /nfs/dbraw/zinc/46/35/44/1196463544.db2.gz RDRDQDVTFWCCJZ-HNNXBMFYSA-N 2 1 387.488 0.540 20 0 GCADMP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367146995 1196494473 /nfs/dbraw/zinc/49/44/73/1196494473.db2.gz DPYQJCCPUBFOIM-OAQYLSRUSA-N 2 1 385.556 0.700 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367146995 1196494475 /nfs/dbraw/zinc/49/44/75/1196494475.db2.gz DPYQJCCPUBFOIM-OAQYLSRUSA-N 2 1 385.556 0.700 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367146995 1196494478 /nfs/dbraw/zinc/49/44/78/1196494478.db2.gz DPYQJCCPUBFOIM-OAQYLSRUSA-N 2 1 385.556 0.700 20 0 GCADMP CCCNC(=O)CN1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000523483275 1196528256 /nfs/dbraw/zinc/52/82/56/1196528256.db2.gz BWAIEGGBHMMALK-MRXNPFEDSA-N 2 1 383.537 0.245 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000524137366 1196578299 /nfs/dbraw/zinc/57/82/99/1196578299.db2.gz RGIDUGGETVAAIU-XDNAFOTISA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000524137366 1196578305 /nfs/dbraw/zinc/57/83/05/1196578305.db2.gz RGIDUGGETVAAIU-XDNAFOTISA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000524137366 1196578308 /nfs/dbraw/zinc/57/83/08/1196578308.db2.gz RGIDUGGETVAAIU-XDNAFOTISA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000524137366 1196578315 /nfs/dbraw/zinc/57/83/15/1196578315.db2.gz RGIDUGGETVAAIU-XDNAFOTISA-N 2 1 382.549 0.824 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000524905269 1196636060 /nfs/dbraw/zinc/63/60/60/1196636060.db2.gz CNAFJCZPRJRNQX-UHFFFAOYSA-N 3 1 390.576 0.943 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000524921885 1196638488 /nfs/dbraw/zinc/63/84/88/1196638488.db2.gz OVFJMUWHNOZSJZ-UHFFFAOYSA-N 2 1 397.564 0.417 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@@H]4C3(C)C)CC2)cc[nH+]1 ZINC000446372891 1196640493 /nfs/dbraw/zinc/64/04/93/1196640493.db2.gz YGIHRRUKTLVRFW-DKICVRJWSA-N 2 1 388.516 0.724 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512952 1196687393 /nfs/dbraw/zinc/68/73/93/1196687393.db2.gz RJQOGTVIIIGFRC-QUCCMNQESA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512952 1196687395 /nfs/dbraw/zinc/68/73/95/1196687395.db2.gz RJQOGTVIIIGFRC-QUCCMNQESA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512952 1196687397 /nfs/dbraw/zinc/68/73/97/1196687397.db2.gz RJQOGTVIIIGFRC-QUCCMNQESA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512953 1196687653 /nfs/dbraw/zinc/68/76/53/1196687653.db2.gz RJQOGTVIIIGFRC-UYAOXDASSA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512953 1196687657 /nfs/dbraw/zinc/68/76/57/1196687657.db2.gz RJQOGTVIIIGFRC-UYAOXDASSA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512953 1196687660 /nfs/dbraw/zinc/68/76/60/1196687660.db2.gz RJQOGTVIIIGFRC-UYAOXDASSA-N 2 1 375.517 0.168 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000509643070 1196694234 /nfs/dbraw/zinc/69/42/34/1196694234.db2.gz MCJSGSDXILYLHC-AWEZNQCLSA-N 2 1 382.427 0.199 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N3CCC[C@@H](C(N)=O)C3)C2)CC1 ZINC000525684499 1196699760 /nfs/dbraw/zinc/69/97/60/1196699760.db2.gz UFDAKFOXFMEOBD-KZNAEPCWSA-N 2 1 379.549 0.199 20 0 GCADMP CC(=O)N[C@@H](C)C1CC[NH+](CC(O)C[NH+]2CCC([C@H](C)NC(C)=O)CC2)CC1 ZINC000447316508 1196706995 /nfs/dbraw/zinc/70/69/95/1196706995.db2.gz YXHYWYTXKXXOSL-HOTGVXAUSA-N 2 1 396.576 0.821 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000526086193 1196739646 /nfs/dbraw/zinc/73/96/46/1196739646.db2.gz RSMBCQCDLMVYLK-UHFFFAOYSA-N 2 1 378.521 0.962 20 0 GCADMP CNC(=O)C[N@@H+](CCOC)CC1(c2ccccc2)CC[NH+](CC(=O)NC)CC1 ZINC000428495403 1196770521 /nfs/dbraw/zinc/77/05/21/1196770521.db2.gz CVSYUOOLFWIQQW-UHFFFAOYSA-N 2 1 390.528 0.461 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@H](C)C1 ZINC000448519524 1196809131 /nfs/dbraw/zinc/80/91/31/1196809131.db2.gz DWNRGEBOOWIOKX-RTBURBONSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000448519524 1196809134 /nfs/dbraw/zinc/80/91/34/1196809134.db2.gz DWNRGEBOOWIOKX-RTBURBONSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000448519524 1196809145 /nfs/dbraw/zinc/80/91/45/1196809145.db2.gz DWNRGEBOOWIOKX-RTBURBONSA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000528333476 1196850061 /nfs/dbraw/zinc/85/00/61/1196850061.db2.gz AJRBSSDOCMMQJV-DLBZAZTESA-N 2 1 388.578 0.533 20 0 GCADMP C[NH+]1CCN(Cc2cc(Cl)cc(CN3CC[N@H+](C)C[C@H]3CO)c2)[C@H](CO)C1 ZINC000639867161 1196858010 /nfs/dbraw/zinc/85/80/10/1196858010.db2.gz KQVWCPGLCCOMGH-PMACEKPBSA-N 2 1 396.963 0.557 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529306228 1196912255 /nfs/dbraw/zinc/91/22/55/1196912255.db2.gz NCIRXDRPHPSUOC-SFHVURJKSA-N 2 1 395.548 0.339 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)NC[C@@H]3COCC[NH2+]3)c2)C1 ZINC000529305599 1196912985 /nfs/dbraw/zinc/91/29/85/1196912985.db2.gz IYKCZCDYGOHUGX-QZTJIDSGSA-N 2 1 389.500 0.172 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1(C)C ZINC000529331498 1196916368 /nfs/dbraw/zinc/91/63/68/1196916368.db2.gz SCRONMURVPZSJC-GOSISDBHSA-N 2 1 381.565 0.813 20 0 GCADMP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000529387809 1196919353 /nfs/dbraw/zinc/91/93/53/1196919353.db2.gz MJVOCNZEEUSPOT-MRXNPFEDSA-N 2 1 376.505 0.754 20 0 GCADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000530570673 1196997027 /nfs/dbraw/zinc/99/70/27/1196997027.db2.gz HUQISEPRYOAZDH-HNNXBMFYSA-N 2 1 389.500 0.972 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000530570673 1196997031 /nfs/dbraw/zinc/99/70/31/1196997031.db2.gz HUQISEPRYOAZDH-HNNXBMFYSA-N 2 1 389.500 0.972 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000530629988 1197000927 /nfs/dbraw/zinc/00/09/27/1197000927.db2.gz ANEXCESYVMLCJU-ZCNNSNEGSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000530629988 1197000932 /nfs/dbraw/zinc/00/09/32/1197000932.db2.gz ANEXCESYVMLCJU-ZCNNSNEGSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000530629988 1197000936 /nfs/dbraw/zinc/00/09/36/1197000936.db2.gz ANEXCESYVMLCJU-ZCNNSNEGSA-N 2 1 389.544 0.414 20 0 GCADMP COC(CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897366040 1197049936 /nfs/dbraw/zinc/04/99/36/1197049936.db2.gz HVRHYCLDEPSTDC-HZPDHXFCSA-N 2 1 382.549 0.979 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCO)CC1=O ZINC000452358959 1197054722 /nfs/dbraw/zinc/05/47/22/1197054722.db2.gz GWSPXGCNHBEELF-FGTMMUONSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1=O ZINC000452358959 1197054725 /nfs/dbraw/zinc/05/47/25/1197054725.db2.gz GWSPXGCNHBEELF-FGTMMUONSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+]2CCCO)CC1=O ZINC000452358959 1197054727 /nfs/dbraw/zinc/05/47/27/1197054727.db2.gz GWSPXGCNHBEELF-FGTMMUONSA-N 2 1 380.533 0.282 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531293569 1197063959 /nfs/dbraw/zinc/06/39/59/1197063959.db2.gz JYMJBYDMKRQSTD-OAQYLSRUSA-N 2 1 388.512 0.292 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000531293569 1197063961 /nfs/dbraw/zinc/06/39/61/1197063961.db2.gz JYMJBYDMKRQSTD-OAQYLSRUSA-N 2 1 388.512 0.292 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(N(C)C)ncn1 ZINC000453711817 1197125196 /nfs/dbraw/zinc/12/51/96/1197125196.db2.gz RGVSWMNPCKUIOO-HNNXBMFYSA-N 2 1 391.520 0.356 20 0 GCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC2([NH+]3CCOCC3)CCOCC2)CC1 ZINC000459205353 1197188841 /nfs/dbraw/zinc/18/88/41/1197188841.db2.gz AIAIVLRCPDSTQU-SFHVURJKSA-N 2 1 398.548 0.260 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178693250 1197195572 /nfs/dbraw/zinc/19/55/72/1197195572.db2.gz WWUJRNIHZFMHGN-FUHWJXTLSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000178693250 1197195574 /nfs/dbraw/zinc/19/55/74/1197195574.db2.gz WWUJRNIHZFMHGN-FUHWJXTLSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000188832173 1197234383 /nfs/dbraw/zinc/23/43/83/1197234383.db2.gz PGLOJTUWMHKHJZ-SJORKVTESA-N 2 1 382.549 0.974 20 0 GCADMP C[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000188832196 1197234604 /nfs/dbraw/zinc/23/46/04/1197234604.db2.gz PGLOJTUWMHKHJZ-IRXDYDNUSA-N 2 1 382.549 0.974 20 0 GCADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000897420375 1197243626 /nfs/dbraw/zinc/24/36/26/1197243626.db2.gz SDSPQBINFCPRKB-UHFFFAOYSA-N 2 1 393.576 0.606 20 0 GCADMP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897435192 1197283077 /nfs/dbraw/zinc/28/30/77/1197283077.db2.gz IDBCQIAXYSJWLY-QGZVFWFLSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897435192 1197283080 /nfs/dbraw/zinc/28/30/80/1197283080.db2.gz IDBCQIAXYSJWLY-QGZVFWFLSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956747 1197308380 /nfs/dbraw/zinc/30/83/80/1197308380.db2.gz BZHUPIXMTUNWQV-GOEBONIOSA-N 2 1 387.488 0.247 20 0 GCADMP C[C@@H](O)[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956743 1197308470 /nfs/dbraw/zinc/30/84/70/1197308470.db2.gz BZHUPIXMTUNWQV-ZBFHGGJFSA-N 2 1 387.488 0.247 20 0 GCADMP CC(C)[N@@H+](C)CC1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000532537724 1197323554 /nfs/dbraw/zinc/32/35/54/1197323554.db2.gz AQMKXYYNBJXKJH-UHFFFAOYSA-N 2 1 376.505 0.486 20 0 GCADMP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568199 1197329690 /nfs/dbraw/zinc/32/96/90/1197329690.db2.gz NNXZKZGLTRDGHO-IEBWSBKVSA-N 2 1 394.560 0.887 20 0 GCADMP CC[N@@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000897441047 1197331169 /nfs/dbraw/zinc/33/11/69/1197331169.db2.gz OLVWKRANCHQMGS-KRWDZBQOSA-N 2 1 388.516 0.050 20 0 GCADMP CC[N@H+]1CC[C@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000897441047 1197331172 /nfs/dbraw/zinc/33/11/72/1197331172.db2.gz OLVWKRANCHQMGS-KRWDZBQOSA-N 2 1 388.516 0.050 20 0 GCADMP C[C@@H]1CC[N@@H+](CCNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000897442547 1197331868 /nfs/dbraw/zinc/33/18/68/1197331868.db2.gz XRKNTEVBUFMOKD-MJGOQNOKSA-N 2 1 389.544 0.917 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114455115 1197336711 /nfs/dbraw/zinc/33/67/11/1197336711.db2.gz FZJAVCUQJCUZKT-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114455115 1197336715 /nfs/dbraw/zinc/33/67/15/1197336715.db2.gz FZJAVCUQJCUZKT-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123652356 1197351306 /nfs/dbraw/zinc/35/13/06/1197351306.db2.gz BTRVPSHSMUXVAV-MRXNPFEDSA-N 2 1 377.489 0.975 20 0 GCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123652356 1197351308 /nfs/dbraw/zinc/35/13/08/1197351308.db2.gz BTRVPSHSMUXVAV-MRXNPFEDSA-N 2 1 377.489 0.975 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000123942892 1197351875 /nfs/dbraw/zinc/35/18/75/1197351875.db2.gz NQZYIWDURXRQPS-YJBOKZPZSA-N 2 1 377.533 0.855 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000123942892 1197351877 /nfs/dbraw/zinc/35/18/77/1197351877.db2.gz NQZYIWDURXRQPS-YJBOKZPZSA-N 2 1 377.533 0.855 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620306 1197355037 /nfs/dbraw/zinc/35/50/37/1197355037.db2.gz QCJNDSNEJCDZCB-RBUKOAKNSA-N 2 1 380.533 0.994 20 0 GCADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000666670266 1197363019 /nfs/dbraw/zinc/36/30/19/1197363019.db2.gz ALCXFNUOQBCGPU-LJQANCHMSA-N 2 1 386.496 0.984 20 0 GCADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000666670260 1197363154 /nfs/dbraw/zinc/36/31/54/1197363154.db2.gz ALCXFNUOQBCGPU-IBGZPJMESA-N 2 1 386.496 0.984 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N1CCC1 ZINC001088574594 1197367901 /nfs/dbraw/zinc/36/79/01/1197367901.db2.gz DMSZIOUERCUUPI-LBKNJMOBSA-N 2 1 392.544 0.545 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N1CCC1 ZINC001088574594 1197367904 /nfs/dbraw/zinc/36/79/04/1197367904.db2.gz DMSZIOUERCUUPI-LBKNJMOBSA-N 2 1 392.544 0.545 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000132708164 1197380962 /nfs/dbraw/zinc/38/09/62/1197380962.db2.gz VQJQJKVVUPOSRC-OAHLLOKOSA-N 2 1 377.493 0.215 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1=O ZINC000105323394 1197391291 /nfs/dbraw/zinc/39/12/91/1197391291.db2.gz WBVVKGAIKUCAFI-QRVBRYPASA-N 2 1 394.560 0.888 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)NCCN3CCN(c4ncccn4)CC3)CC[C@@H]21 ZINC000137139380 1197391712 /nfs/dbraw/zinc/39/17/12/1197391712.db2.gz BNIBGCBKOTYFFJ-ROUUACIJSA-N 2 1 387.532 0.724 20 0 GCADMP [NH3+]Cc1cccc(NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000666727823 1197394233 /nfs/dbraw/zinc/39/42/33/1197394233.db2.gz GVHQORCMLIWCNB-UHFFFAOYSA-N 2 1 396.495 0.807 20 0 GCADMP COc1cc(C[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684257 1197397300 /nfs/dbraw/zinc/39/73/00/1197397300.db2.gz NEBMZJOZGQIPPN-CABCVRRESA-N 2 1 379.457 0.521 20 0 GCADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1=O ZINC000245598867 1197414350 /nfs/dbraw/zinc/41/43/50/1197414350.db2.gz UCRMRJFBHXBPTN-GUDVDZBRSA-N 2 1 388.512 0.148 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000245915097 1197438551 /nfs/dbraw/zinc/43/85/51/1197438551.db2.gz RTEKGVJGLBGTNU-OALUTQOASA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245915097 1197438554 /nfs/dbraw/zinc/43/85/54/1197438554.db2.gz RTEKGVJGLBGTNU-OALUTQOASA-N 2 1 376.501 0.643 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CCN(CCS(C)(=O)=O)CC2)C1 ZINC000246012470 1197442961 /nfs/dbraw/zinc/44/29/61/1197442961.db2.gz TZYJVWIFCAJJDG-DOTOQJQBSA-N 2 1 386.562 0.621 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000246351628 1197465447 /nfs/dbraw/zinc/46/54/47/1197465447.db2.gz DCVWCLIINIHSDQ-HOTGVXAUSA-N 2 1 376.505 0.716 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000246473168 1197471493 /nfs/dbraw/zinc/47/14/93/1197471493.db2.gz QVNYAOYRDDTKNK-ZSYWTGECSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000246473168 1197471495 /nfs/dbraw/zinc/47/14/95/1197471495.db2.gz QVNYAOYRDDTKNK-ZSYWTGECSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1=O ZINC000246473168 1197471496 /nfs/dbraw/zinc/47/14/96/1197471496.db2.gz QVNYAOYRDDTKNK-ZSYWTGECSA-N 2 1 394.560 0.935 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)CC1=O ZINC000246769599 1197473910 /nfs/dbraw/zinc/47/39/10/1197473910.db2.gz PHWAUFQHDYKJHC-IPMKNSEASA-N 2 1 392.544 0.500 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000247102904 1197474966 /nfs/dbraw/zinc/47/49/66/1197474966.db2.gz VCYVCVSNZXEKMT-DLBZAZTESA-N 2 1 380.533 0.234 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1=O ZINC000247102904 1197474967 /nfs/dbraw/zinc/47/49/67/1197474967.db2.gz VCYVCVSNZXEKMT-DLBZAZTESA-N 2 1 380.533 0.234 20 0 GCADMP O=C(NC1CC1)[C@@H]1CCC[NH+]1CCOCC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000247085027 1197475208 /nfs/dbraw/zinc/47/52/08/1197475208.db2.gz PMBMEEUBPSTTKK-ROUUACIJSA-N 2 1 378.517 0.489 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000248372171 1197479079 /nfs/dbraw/zinc/47/90/79/1197479079.db2.gz ZOUPCOHWKQAMNO-PKOBYXMFSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000248912341 1197480825 /nfs/dbraw/zinc/48/08/25/1197480825.db2.gz VOHVJPNQVLJZBW-QFUCXCTJSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@](C)(O)C[NH+]1CCOCC1 ZINC000248912341 1197480827 /nfs/dbraw/zinc/48/08/27/1197480827.db2.gz VOHVJPNQVLJZBW-QFUCXCTJSA-N 2 1 390.528 0.889 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261794584 1197515199 /nfs/dbraw/zinc/51/51/99/1197515199.db2.gz IKCAJBBYOKWLCC-JKSUJKDBSA-N 2 1 391.516 0.431 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261884603 1197517340 /nfs/dbraw/zinc/51/73/40/1197517340.db2.gz PRUJTZRTPLBWPV-MJBXVCDLSA-N 2 1 376.423 0.730 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261884603 1197517344 /nfs/dbraw/zinc/51/73/44/1197517344.db2.gz PRUJTZRTPLBWPV-MJBXVCDLSA-N 2 1 376.423 0.730 20 0 GCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261917986 1197519422 /nfs/dbraw/zinc/51/94/22/1197519422.db2.gz USRUJAAXRLGGNX-BBWFWOEESA-N 2 1 388.516 0.496 20 0 GCADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC000261994592 1197521783 /nfs/dbraw/zinc/52/17/83/1197521783.db2.gz NIVIEVPPWKFFJW-UHFFFAOYSA-N 2 1 384.502 0.603 20 0 GCADMP O=C(CC[NH+]1CCN(CC(=O)N2CCCc3ccccc32)CC1)N1CC[NH2+]CC1 ZINC000262261820 1197528273 /nfs/dbraw/zinc/52/82/73/1197528273.db2.gz XRCGRWFRBJVDRH-UHFFFAOYSA-N 2 1 399.539 0.405 20 0 GCADMP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000666822235 1197536095 /nfs/dbraw/zinc/53/60/95/1197536095.db2.gz NWQODLOFEWFALN-OAQYLSRUSA-N 2 1 382.464 0.837 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008851 1199000057 /nfs/dbraw/zinc/00/00/57/1199000057.db2.gz CGLIMVBVQUZOHH-ZMMAXQRCSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008851 1199000066 /nfs/dbraw/zinc/00/00/66/1199000066.db2.gz CGLIMVBVQUZOHH-ZMMAXQRCSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009475 1199001816 /nfs/dbraw/zinc/00/18/16/1199001816.db2.gz IDOUWYAVLRHBQL-RDJZCZTQSA-N 3 1 379.549 0.118 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009475 1199001820 /nfs/dbraw/zinc/00/18/20/1199001820.db2.gz IDOUWYAVLRHBQL-RDJZCZTQSA-N 3 1 379.549 0.118 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672098393 1199088801 /nfs/dbraw/zinc/08/88/01/1199088801.db2.gz SGOOLYQTQIGUNU-SFHVURJKSA-N 2 1 395.592 0.850 20 0 GCADMP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672098393 1199088808 /nfs/dbraw/zinc/08/88/08/1199088808.db2.gz SGOOLYQTQIGUNU-SFHVURJKSA-N 2 1 395.592 0.850 20 0 GCADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672098393 1199088816 /nfs/dbraw/zinc/08/88/16/1199088816.db2.gz SGOOLYQTQIGUNU-SFHVURJKSA-N 2 1 395.592 0.850 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000265744149 1199106429 /nfs/dbraw/zinc/10/64/29/1199106429.db2.gz NTECERHKTNPXOW-RBUKOAKNSA-N 2 1 376.501 0.426 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000265744149 1199106431 /nfs/dbraw/zinc/10/64/31/1199106431.db2.gz NTECERHKTNPXOW-RBUKOAKNSA-N 2 1 376.501 0.426 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)C1 ZINC000265744149 1199106435 /nfs/dbraw/zinc/10/64/35/1199106435.db2.gz NTECERHKTNPXOW-RBUKOAKNSA-N 2 1 376.501 0.426 20 0 GCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627307724 1199156621 /nfs/dbraw/zinc/15/66/21/1199156621.db2.gz VDNGRXRDFPMTOU-JSGCOSHPSA-N 2 1 378.439 0.963 20 0 GCADMP CC(C)N1CC[NH+](C2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)CC1 ZINC000672206893 1199160286 /nfs/dbraw/zinc/16/02/86/1199160286.db2.gz NBGRLKQYUQAZRY-QGZVFWFLSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)CC1 ZINC000672206893 1199160289 /nfs/dbraw/zinc/16/02/89/1199160289.db2.gz NBGRLKQYUQAZRY-QGZVFWFLSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)CC1 ZINC000672206893 1199160290 /nfs/dbraw/zinc/16/02/90/1199160290.db2.gz NBGRLKQYUQAZRY-QGZVFWFLSA-N 2 1 393.576 0.602 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304467 1199196793 /nfs/dbraw/zinc/19/67/93/1199196793.db2.gz VFJDZXSTRAAJPC-KRWDZBQOSA-N 2 1 378.517 0.348 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000672304020 1199198463 /nfs/dbraw/zinc/19/84/63/1199198463.db2.gz FFHPXFAGRZURBL-AEFFLSMTSA-N 2 1 378.517 0.204 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308250 1199199089 /nfs/dbraw/zinc/19/90/89/1199199089.db2.gz GUEAROHMCOHYET-NBMJBFSESA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308250 1199199092 /nfs/dbraw/zinc/19/90/92/1199199092.db2.gz GUEAROHMCOHYET-NBMJBFSESA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308250 1199199094 /nfs/dbraw/zinc/19/90/94/1199199094.db2.gz GUEAROHMCOHYET-NBMJBFSESA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@H](C)O1 ZINC000672308250 1199199099 /nfs/dbraw/zinc/19/90/99/1199199099.db2.gz GUEAROHMCOHYET-NBMJBFSESA-N 2 1 392.544 0.687 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306460 1199200136 /nfs/dbraw/zinc/20/01/36/1199200136.db2.gz JSFVXAQRZQAFEX-SFHVURJKSA-N 2 1 376.476 0.974 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306460 1199200141 /nfs/dbraw/zinc/20/01/41/1199200141.db2.gz JSFVXAQRZQAFEX-SFHVURJKSA-N 2 1 376.476 0.974 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306460 1199200142 /nfs/dbraw/zinc/20/01/42/1199200142.db2.gz JSFVXAQRZQAFEX-SFHVURJKSA-N 2 1 376.476 0.974 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCN(CCc2ccccc2)CC1 ZINC000672311224 1199201685 /nfs/dbraw/zinc/20/16/85/1199201685.db2.gz BLEKJPXMYAZELV-HXUWFJFHSA-N 2 1 384.524 0.974 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000672311216 1199201730 /nfs/dbraw/zinc/20/17/30/1199201730.db2.gz BALXTPFAOIKMOU-NEWSRXKRSA-N 2 1 394.560 0.840 20 0 GCADMP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465946886 1199211823 /nfs/dbraw/zinc/21/18/23/1199211823.db2.gz GTEWXSOIYRMKTQ-QGZVFWFLSA-N 2 1 390.532 0.742 20 0 GCADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794760 1199218256 /nfs/dbraw/zinc/21/82/56/1199218256.db2.gz AOBBEGZEHYLYLC-APWZRJJASA-N 2 1 395.507 0.918 20 0 GCADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794738 1199218496 /nfs/dbraw/zinc/21/84/96/1199218496.db2.gz AOBBEGZEHYLYLC-QFBILLFUSA-N 2 1 395.507 0.918 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952936 1199218786 /nfs/dbraw/zinc/21/87/86/1199218786.db2.gz SGFWBGSUMHFOJT-QZTJIDSGSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952936 1199218791 /nfs/dbraw/zinc/21/87/91/1199218791.db2.gz SGFWBGSUMHFOJT-QZTJIDSGSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465952936 1199218798 /nfs/dbraw/zinc/21/87/98/1199218798.db2.gz SGFWBGSUMHFOJT-QZTJIDSGSA-N 2 1 396.580 0.147 20 0 GCADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000672527508 1199258980 /nfs/dbraw/zinc/25/89/80/1199258980.db2.gz XBQKTHOAFVCOFO-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)C1 ZINC000672527508 1199258985 /nfs/dbraw/zinc/25/89/85/1199258985.db2.gz XBQKTHOAFVCOFO-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000672527508 1199258989 /nfs/dbraw/zinc/25/89/89/1199258989.db2.gz XBQKTHOAFVCOFO-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000672527508 1199258993 /nfs/dbraw/zinc/25/89/93/1199258993.db2.gz XBQKTHOAFVCOFO-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593337 1199275982 /nfs/dbraw/zinc/27/59/82/1199275982.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672593337 1199275984 /nfs/dbraw/zinc/27/59/84/1199275984.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672593337 1199275987 /nfs/dbraw/zinc/27/59/87/1199275987.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593337 1199275990 /nfs/dbraw/zinc/27/59/90/1199275990.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593337 1199275991 /nfs/dbraw/zinc/27/59/91/1199275991.db2.gz OLTOPHNUNIJRCC-SOLBZPMBSA-N 2 1 379.549 0.212 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672597050 1199277029 /nfs/dbraw/zinc/27/70/29/1199277029.db2.gz FHKZGIJWIKYPMS-IBGZPJMESA-N 2 1 393.576 0.463 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596849 1199277170 /nfs/dbraw/zinc/27/71/70/1199277170.db2.gz SDNWUBWKSDRCGQ-RBUKOAKNSA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672596849 1199277178 /nfs/dbraw/zinc/27/71/78/1199277178.db2.gz SDNWUBWKSDRCGQ-RBUKOAKNSA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672596849 1199277181 /nfs/dbraw/zinc/27/71/81/1199277181.db2.gz SDNWUBWKSDRCGQ-RBUKOAKNSA-N 2 1 387.528 0.081 20 0 GCADMP C[C@@H](C[NH+]1CCOCC1)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001002830762 1199285758 /nfs/dbraw/zinc/28/57/58/1199285758.db2.gz RFNLQDIFAWPZGL-MLHJIOFPSA-N 2 1 378.517 0.299 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638396 1199288339 /nfs/dbraw/zinc/28/83/39/1199288339.db2.gz GOBFMRUIUUBESA-MJGOQNOKSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638396 1199288342 /nfs/dbraw/zinc/28/83/42/1199288342.db2.gz GOBFMRUIUUBESA-MJGOQNOKSA-N 2 1 391.560 0.358 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638152 1199291081 /nfs/dbraw/zinc/29/10/81/1199291081.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 2 1 391.560 0.356 20 0 GCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638152 1199291085 /nfs/dbraw/zinc/29/10/85/1199291085.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 2 1 391.560 0.356 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638152 1199291089 /nfs/dbraw/zinc/29/10/89/1199291089.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 2 1 391.560 0.356 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638152 1199291094 /nfs/dbraw/zinc/29/10/94/1199291094.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 2 1 391.560 0.356 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638152 1199291097 /nfs/dbraw/zinc/29/10/97/1199291097.db2.gz NBOWRNKHVOXNML-QRQLOZEOSA-N 2 1 391.560 0.356 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639404 1199291825 /nfs/dbraw/zinc/29/18/25/1199291825.db2.gz BZTOXRNUJCDBCZ-IAGOWNOFSA-N 2 1 379.549 0.262 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639404 1199291831 /nfs/dbraw/zinc/29/18/31/1199291831.db2.gz BZTOXRNUJCDBCZ-IAGOWNOFSA-N 2 1 379.549 0.262 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640965 1199298614 /nfs/dbraw/zinc/29/86/14/1199298614.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640965 1199298618 /nfs/dbraw/zinc/29/86/18/1199298618.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640965 1199298624 /nfs/dbraw/zinc/29/86/24/1199298624.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640965 1199298628 /nfs/dbraw/zinc/29/86/28/1199298628.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640965 1199298631 /nfs/dbraw/zinc/29/86/31/1199298631.db2.gz HSVQAMYJFVJVAC-MSOLQXFVSA-N 2 1 393.576 0.604 20 0 GCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672642105 1199299907 /nfs/dbraw/zinc/29/99/07/1199299907.db2.gz XVNAIZMBVMSVTD-GOSISDBHSA-N 2 1 395.592 0.852 20 0 GCADMP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672642105 1199299913 /nfs/dbraw/zinc/29/99/13/1199299913.db2.gz XVNAIZMBVMSVTD-GOSISDBHSA-N 2 1 395.592 0.852 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303052 /nfs/dbraw/zinc/30/30/52/1199303052.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303055 /nfs/dbraw/zinc/30/30/55/1199303055.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303059 /nfs/dbraw/zinc/30/30/59/1199303059.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303064 /nfs/dbraw/zinc/30/30/64/1199303064.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643396 1199303069 /nfs/dbraw/zinc/30/30/69/1199303069.db2.gz XAWGBVBPZDDKNR-FUHWJXTLSA-N 2 1 393.576 0.508 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641629 1199303722 /nfs/dbraw/zinc/30/37/22/1199303722.db2.gz VAKNNIAAJMWZEE-INIZCTEOSA-N 2 1 379.549 0.214 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641629 1199303725 /nfs/dbraw/zinc/30/37/25/1199303725.db2.gz VAKNNIAAJMWZEE-INIZCTEOSA-N 2 1 379.549 0.214 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000672648102 1199308852 /nfs/dbraw/zinc/30/88/52/1199308852.db2.gz XRGTUCWMSHWSCV-XWTMOSNGSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[NH+](C)CCO2)[C@@H](C)C1 ZINC000672648102 1199308857 /nfs/dbraw/zinc/30/88/57/1199308857.db2.gz XRGTUCWMSHWSCV-XWTMOSNGSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)[C@@H](C)C1 ZINC000672648102 1199308862 /nfs/dbraw/zinc/30/88/62/1199308862.db2.gz XRGTUCWMSHWSCV-XWTMOSNGSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)[C@@H](C)C1 ZINC000672648102 1199308866 /nfs/dbraw/zinc/30/88/66/1199308866.db2.gz XRGTUCWMSHWSCV-XWTMOSNGSA-N 2 1 398.548 0.075 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000672694806 1199315622 /nfs/dbraw/zinc/31/56/22/1199315622.db2.gz CMDCPORUWMILQN-IAGOWNOFSA-N 2 1 380.533 0.689 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000672695795 1199316136 /nfs/dbraw/zinc/31/61/36/1199316136.db2.gz ICBJIKANXURHGM-KRWDZBQOSA-N 2 1 382.549 0.794 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1(C)C ZINC000672854505 1199352373 /nfs/dbraw/zinc/35/23/73/1199352373.db2.gz HLPQLINSUCVOCT-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)Nc3cccc4c3CNC4=O)C2)CC1 ZINC000672969770 1199380651 /nfs/dbraw/zinc/38/06/51/1199380651.db2.gz KOSLAXNCRFRTRR-ZDUSSCGKSA-N 2 1 385.468 0.153 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672980074 1199384709 /nfs/dbraw/zinc/38/47/09/1199384709.db2.gz PURACGKRXULBJP-KRWDZBQOSA-N 2 1 379.549 0.214 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672980074 1199384716 /nfs/dbraw/zinc/38/47/16/1199384716.db2.gz PURACGKRXULBJP-KRWDZBQOSA-N 2 1 379.549 0.214 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)Nc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000265826410 1199495698 /nfs/dbraw/zinc/49/56/98/1199495698.db2.gz WQWWUZYQEPRVJC-KRWDZBQOSA-N 2 1 389.500 0.715 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)Nc2cccc(C[N@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000265826410 1199495703 /nfs/dbraw/zinc/49/57/03/1199495703.db2.gz WQWWUZYQEPRVJC-KRWDZBQOSA-N 2 1 389.500 0.715 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C(C)C ZINC000673270092 1199513095 /nfs/dbraw/zinc/51/30/95/1199513095.db2.gz CCTXVRZOEIFEFQ-QGZVFWFLSA-N 2 1 384.565 0.915 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1)C(C)C ZINC000673270092 1199513098 /nfs/dbraw/zinc/51/30/98/1199513098.db2.gz CCTXVRZOEIFEFQ-QGZVFWFLSA-N 2 1 384.565 0.915 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000079653625 1199532854 /nfs/dbraw/zinc/53/28/54/1199532854.db2.gz CLFDYPPKAUATCF-KRWDZBQOSA-N 2 1 379.480 0.892 20 0 GCADMP C[NH+](C)CC1(CNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCC1 ZINC000673380758 1199583639 /nfs/dbraw/zinc/58/36/39/1199583639.db2.gz JISLHCGSUCHCRJ-SFHVURJKSA-N 2 1 393.576 0.463 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673421631 1199614793 /nfs/dbraw/zinc/61/47/93/1199614793.db2.gz JXTQIOPAZRZIDQ-LWSMDNFKSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673421631 1199614796 /nfs/dbraw/zinc/61/47/96/1199614796.db2.gz JXTQIOPAZRZIDQ-LWSMDNFKSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)O1 ZINC001003708208 1199636808 /nfs/dbraw/zinc/63/68/08/1199636808.db2.gz LPSHPUVOORNPQH-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCC(C)(C)C2)O1 ZINC001003708208 1199636809 /nfs/dbraw/zinc/63/68/09/1199636809.db2.gz LPSHPUVOORNPQH-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+]2CCC(C)(C)C2)O1 ZINC001003708208 1199636813 /nfs/dbraw/zinc/63/68/13/1199636813.db2.gz LPSHPUVOORNPQH-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+]2CCC(C)(C)C2)O1 ZINC001003708208 1199636816 /nfs/dbraw/zinc/63/68/16/1199636816.db2.gz LPSHPUVOORNPQH-HSFUPAIVSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)O1 ZINC001003706184 1199639599 /nfs/dbraw/zinc/63/95/99/1199639599.db2.gz IIYZIZYITZXGLX-RXABAKJHSA-N 2 1 392.544 0.686 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC2CC[NH+](C)CC2)O1 ZINC001003706184 1199639602 /nfs/dbraw/zinc/63/96/02/1199639602.db2.gz IIYZIZYITZXGLX-RXABAKJHSA-N 2 1 392.544 0.686 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446304 1199659456 /nfs/dbraw/zinc/65/94/56/1199659456.db2.gz VGEPWBRCMKARBG-IRXDYDNUSA-N 2 1 382.549 0.792 20 0 GCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000922347849 1199743715 /nfs/dbraw/zinc/74/37/15/1199743715.db2.gz ZRRGCBTWCVJOFC-MSOLQXFVSA-N 2 1 375.517 0.667 20 0 GCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H]1CCC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000922347849 1199743717 /nfs/dbraw/zinc/74/37/17/1199743717.db2.gz ZRRGCBTWCVJOFC-MSOLQXFVSA-N 2 1 375.517 0.667 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584249 1199830295 /nfs/dbraw/zinc/83/02/95/1199830295.db2.gz ICTMWJSFCLFHME-MSOLQXFVSA-N 2 1 380.533 0.423 20 0 GCADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)CC2)cs1 ZINC000428978375 1199868750 /nfs/dbraw/zinc/86/87/50/1199868750.db2.gz NWTSMJZQMPQULV-MRXNPFEDSA-N 2 1 393.557 0.977 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000671390418 1199874799 /nfs/dbraw/zinc/87/47/99/1199874799.db2.gz GFUHEGILMVMDBZ-UHFFFAOYSA-N 2 1 381.480 0.978 20 0 GCADMP Cc1ccc(NCCNC(=O)NCC2(N3CCOCC3)CCOCC2)[nH+]c1 ZINC000922835403 1199878745 /nfs/dbraw/zinc/87/87/45/1199878745.db2.gz VZOAZRIFCBOQPY-UHFFFAOYSA-N 2 1 377.489 0.983 20 0 GCADMP Cc1ccc(NCCNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)[nH+]c1 ZINC000922873476 1199886277 /nfs/dbraw/zinc/88/62/77/1199886277.db2.gz UYNQCLNEMXKGPA-UHFFFAOYSA-N 2 1 390.532 0.898 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022751 1199892389 /nfs/dbraw/zinc/89/23/89/1199892389.db2.gz BCARWOAWJHPJNR-SJORKVTESA-N 2 1 390.532 0.648 20 0 GCADMP COCC[N@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000171196930 1200201161 /nfs/dbraw/zinc/20/11/61/1200201161.db2.gz ZBELQHKSRLHXSI-UHFFFAOYSA-N 2 1 381.496 0.825 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000171196930 1200201166 /nfs/dbraw/zinc/20/11/66/1200201166.db2.gz ZBELQHKSRLHXSI-UHFFFAOYSA-N 2 1 381.496 0.825 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000674309667 1200218596 /nfs/dbraw/zinc/21/85/96/1200218596.db2.gz HISJFFVSHCUVGI-DLBZAZTESA-N 2 1 380.533 0.546 20 0 GCADMP COC1CC[NH+](CCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000674328977 1200222498 /nfs/dbraw/zinc/22/24/98/1200222498.db2.gz VQNOQVODWDXRTG-QGZVFWFLSA-N 2 1 383.537 0.339 20 0 GCADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000670503785 1200381816 /nfs/dbraw/zinc/38/18/16/1200381816.db2.gz QWSAPLWKPBZMPL-IBGZPJMESA-N 2 1 395.592 0.848 20 0 GCADMP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000670503785 1200381824 /nfs/dbraw/zinc/38/18/24/1200381824.db2.gz QWSAPLWKPBZMPL-IBGZPJMESA-N 2 1 395.592 0.848 20 0 GCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527053 1200406018 /nfs/dbraw/zinc/40/60/18/1200406018.db2.gz PZSWOTZHVMVZOF-GOSISDBHSA-N 2 1 394.560 0.986 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527053 1200406021 /nfs/dbraw/zinc/40/60/21/1200406021.db2.gz PZSWOTZHVMVZOF-GOSISDBHSA-N 2 1 394.560 0.986 20 0 GCADMP CC(C)COCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003807 1200408095 /nfs/dbraw/zinc/40/80/95/1200408095.db2.gz HXLWDSWYUMLFPL-TVFCKZIOSA-N 2 1 378.521 0.632 20 0 GCADMP CC(C)COCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003807 1200408107 /nfs/dbraw/zinc/40/81/07/1200408107.db2.gz HXLWDSWYUMLFPL-TVFCKZIOSA-N 2 1 378.521 0.632 20 0 GCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003807 1200408117 /nfs/dbraw/zinc/40/81/17/1200408117.db2.gz HXLWDSWYUMLFPL-TVFCKZIOSA-N 2 1 378.521 0.632 20 0 GCADMP CC(C)COCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003807 1200408122 /nfs/dbraw/zinc/40/81/22/1200408122.db2.gz HXLWDSWYUMLFPL-TVFCKZIOSA-N 2 1 378.521 0.632 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129004094 1200408440 /nfs/dbraw/zinc/40/84/40/1200408440.db2.gz LUJDDBMNYLGUDQ-TUVASFSCSA-N 2 1 386.447 0.242 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC(F)F)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129004094 1200408448 /nfs/dbraw/zinc/40/84/48/1200408448.db2.gz LUJDDBMNYLGUDQ-TUVASFSCSA-N 2 1 386.447 0.242 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC(F)F)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004094 1200408457 /nfs/dbraw/zinc/40/84/57/1200408457.db2.gz LUJDDBMNYLGUDQ-TUVASFSCSA-N 2 1 386.447 0.242 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC(F)F)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004094 1200408462 /nfs/dbraw/zinc/40/84/62/1200408462.db2.gz LUJDDBMNYLGUDQ-TUVASFSCSA-N 2 1 386.447 0.242 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129003414 1200409116 /nfs/dbraw/zinc/40/91/16/1200409116.db2.gz FEZLBHASGNHPJN-DDBAPUKQSA-N 2 1 376.505 0.386 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129003414 1200409121 /nfs/dbraw/zinc/40/91/21/1200409121.db2.gz FEZLBHASGNHPJN-DDBAPUKQSA-N 2 1 376.505 0.386 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129003414 1200409124 /nfs/dbraw/zinc/40/91/24/1200409124.db2.gz FEZLBHASGNHPJN-DDBAPUKQSA-N 2 1 376.505 0.386 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CC3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129003414 1200409129 /nfs/dbraw/zinc/40/91/29/1200409129.db2.gz FEZLBHASGNHPJN-DDBAPUKQSA-N 2 1 376.505 0.386 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1=O ZINC000246525228 1200410684 /nfs/dbraw/zinc/41/06/84/1200410684.db2.gz WBVVKGAIKUCAFI-OTWHNJEPSA-N 2 1 394.560 0.888 20 0 GCADMP CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C1=O ZINC000675552633 1200432614 /nfs/dbraw/zinc/43/26/14/1200432614.db2.gz HULXVJXHXJZIAQ-DNVCBOLYSA-N 2 1 387.488 0.039 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047694 1200480734 /nfs/dbraw/zinc/48/07/34/1200480734.db2.gz UDSDKTCVXOANMZ-DFQSSKMNSA-N 3 1 393.576 0.832 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)C2)CC1 ZINC000676047694 1200480740 /nfs/dbraw/zinc/48/07/40/1200480740.db2.gz UDSDKTCVXOANMZ-DFQSSKMNSA-N 3 1 393.576 0.832 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[NH+](C)CCO1 ZINC000676305702 1200541833 /nfs/dbraw/zinc/54/18/33/1200541833.db2.gz IKYQXLXBZKHDPB-FFGOWVMKSA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[NH+](C)CCO1 ZINC000676305702 1200541840 /nfs/dbraw/zinc/54/18/40/1200541840.db2.gz IKYQXLXBZKHDPB-FFGOWVMKSA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[N@H+](C)CCO1 ZINC000676305702 1200541847 /nfs/dbraw/zinc/54/18/47/1200541847.db2.gz IKYQXLXBZKHDPB-FFGOWVMKSA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@@H]1C[N@@H+](C)CCO1 ZINC000676305702 1200541856 /nfs/dbraw/zinc/54/18/56/1200541856.db2.gz IKYQXLXBZKHDPB-FFGOWVMKSA-N 2 1 390.528 0.888 20 0 GCADMP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000625776766 1200657095 /nfs/dbraw/zinc/65/70/95/1200657095.db2.gz PPLQRYKPHKDSTB-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000625776766 1200657102 /nfs/dbraw/zinc/65/71/02/1200657102.db2.gz PPLQRYKPHKDSTB-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000625776766 1200657109 /nfs/dbraw/zinc/65/71/09/1200657109.db2.gz PPLQRYKPHKDSTB-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000625776766 1200657115 /nfs/dbraw/zinc/65/71/15/1200657115.db2.gz PPLQRYKPHKDSTB-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376041257 1200695283 /nfs/dbraw/zinc/69/52/83/1200695283.db2.gz FXCXBDAWQSQARJ-HNNXBMFYSA-N 2 1 378.521 1.459 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427101352 1200734182 /nfs/dbraw/zinc/73/41/82/1200734182.db2.gz PAJOOORLGKOBNI-MRXNPFEDSA-N 2 1 390.532 1.325 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477101760 1200825321 /nfs/dbraw/zinc/82/53/21/1200825321.db2.gz RLDIUWRKKUAQJX-WNRNVDISSA-N 2 1 382.549 0.933 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000477101760 1200825325 /nfs/dbraw/zinc/82/53/25/1200825325.db2.gz RLDIUWRKKUAQJX-WNRNVDISSA-N 2 1 382.549 0.933 20 0 GCADMP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)O1)[C@@H]1CCC[NH+](C)C1 ZINC000189876540 1200954083 /nfs/dbraw/zinc/95/40/83/1200954083.db2.gz VDAYCRPAEJQARL-USTZCAOPSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)O1)[C@@H]1CCC[N@H+](C)C1 ZINC000189876540 1200954087 /nfs/dbraw/zinc/95/40/87/1200954087.db2.gz VDAYCRPAEJQARL-USTZCAOPSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](C)C2)O1)[C@@H]1CCC[N@@H+](C)C1 ZINC000189876540 1200954090 /nfs/dbraw/zinc/95/40/90/1200954090.db2.gz VDAYCRPAEJQARL-USTZCAOPSA-N 2 1 380.533 0.639 20 0 GCADMP Cc1cccc(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000923377599 1200973286 /nfs/dbraw/zinc/97/32/86/1200973286.db2.gz ODJOSTGLWQSZLB-YZGWKJHDSA-N 2 1 388.512 0.955 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@@H](O)COc3ccccc3F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378190 1200973302 /nfs/dbraw/zinc/97/33/02/1200973302.db2.gz RQGDFECESPFXPH-KBAYOESNSA-N 2 1 392.475 0.786 20 0 GCADMP Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1NC(=O)CC[NH+](C)C ZINC000467567743 1201016541 /nfs/dbraw/zinc/01/65/41/1201016541.db2.gz MZRCDSFMISDCQJ-UHFFFAOYSA-N 2 1 375.473 0.646 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CN1CC(=O)N(C)C1=O ZINC000626017541 1201032337 /nfs/dbraw/zinc/03/23/37/1201032337.db2.gz QBRMAGKKWSPZJK-UHFFFAOYSA-N 2 1 393.532 0.535 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365890734 1201052387 /nfs/dbraw/zinc/05/23/87/1201052387.db2.gz WCIUXPIQQLGRMY-INIZCTEOSA-N 2 1 377.537 1.297 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[N@@H+]1C ZINC000409749265 1201136110 /nfs/dbraw/zinc/13/61/10/1201136110.db2.gz HSTPOIJKFAANEN-BPLDGKMQSA-N 2 1 377.493 0.463 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([NH+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[N@H+]1C ZINC000409749265 1201136115 /nfs/dbraw/zinc/13/61/15/1201136115.db2.gz HSTPOIJKFAANEN-BPLDGKMQSA-N 2 1 377.493 0.463 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[NH+]1C ZINC000409749265 1201136118 /nfs/dbraw/zinc/13/61/18/1201136118.db2.gz HSTPOIJKFAANEN-BPLDGKMQSA-N 2 1 377.493 0.463 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[NH+]1C ZINC000409749265 1201136123 /nfs/dbraw/zinc/13/61/23/1201136123.db2.gz HSTPOIJKFAANEN-BPLDGKMQSA-N 2 1 377.493 0.463 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@@H+]1C ZINC001063497302 1201195531 /nfs/dbraw/zinc/19/55/31/1201195531.db2.gz QDFKMFWAQPUPDR-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CCC2)CC[N@H+]1C ZINC001063497302 1201195535 /nfs/dbraw/zinc/19/55/35/1201195535.db2.gz QDFKMFWAQPUPDR-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063497302 1201195542 /nfs/dbraw/zinc/19/55/42/1201195542.db2.gz QDFKMFWAQPUPDR-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC2(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CCC2)CC[NH+]1C ZINC001063497302 1201195546 /nfs/dbraw/zinc/19/55/46/1201195546.db2.gz QDFKMFWAQPUPDR-YYIAUSFCSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)O1 ZINC001079247197 1201249500 /nfs/dbraw/zinc/24/95/00/1201249500.db2.gz QXVQMHJTUMDFRX-XMTFNYHQSA-N 2 1 381.517 0.027 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC3(CC[NH+](CCCO)CC3)[C@H]3COC[C@H]32)O1 ZINC001079247197 1201249504 /nfs/dbraw/zinc/24/95/04/1201249504.db2.gz QXVQMHJTUMDFRX-XMTFNYHQSA-N 2 1 381.517 0.027 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCC(CO)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001080878074 1201284534 /nfs/dbraw/zinc/28/45/34/1201284534.db2.gz YVKMITAWVSSIJG-QBPKDAKJSA-N 2 1 380.533 0.137 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001080878074 1201284538 /nfs/dbraw/zinc/28/45/38/1201284538.db2.gz YVKMITAWVSSIJG-QBPKDAKJSA-N 2 1 380.533 0.137 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC2(CO)CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)CC[NH+]1C ZINC001080878074 1201284542 /nfs/dbraw/zinc/28/45/42/1201284542.db2.gz YVKMITAWVSSIJG-QBPKDAKJSA-N 2 1 380.533 0.137 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082520192 1201337152 /nfs/dbraw/zinc/33/71/52/1201337152.db2.gz HINSYWGAKHHENB-KLHDSHLOSA-N 2 1 377.537 0.747 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082590307 1201340520 /nfs/dbraw/zinc/34/05/20/1201340520.db2.gz OKBVMTVSJSODID-BCXHYRKLSA-N 2 1 386.500 0.624 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccc2c(c1)nnn2C ZINC001082590307 1201340522 /nfs/dbraw/zinc/34/05/22/1201340522.db2.gz OKBVMTVSJSODID-BCXHYRKLSA-N 2 1 386.500 0.624 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCc4nc(C)no4)C[C@@H]32)CC[N@@H+]1C ZINC001083087317 1201383693 /nfs/dbraw/zinc/38/36/93/1201383693.db2.gz BWKAFGLUZKZBRS-XWTMOSNGSA-N 2 1 391.516 0.953 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCc4nc(C)no4)C[C@@H]32)CC[N@H+]1C ZINC001083087317 1201383696 /nfs/dbraw/zinc/38/36/96/1201383696.db2.gz BWKAFGLUZKZBRS-XWTMOSNGSA-N 2 1 391.516 0.953 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCc4nc(C)no4)C[C@@H]32)CC[NH+]1C ZINC001083087317 1201383705 /nfs/dbraw/zinc/38/37/05/1201383705.db2.gz BWKAFGLUZKZBRS-XWTMOSNGSA-N 2 1 391.516 0.953 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCc4nc(C)no4)C[C@@H]32)CC[NH+]1C ZINC001083087317 1201383711 /nfs/dbraw/zinc/38/37/11/1201383711.db2.gz BWKAFGLUZKZBRS-XWTMOSNGSA-N 2 1 391.516 0.953 20 0 GCADMP Cc1nc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447279 1201412540 /nfs/dbraw/zinc/41/25/40/1201412540.db2.gz HDVSONDAFHQOPJ-BNEJOLLZSA-N 2 1 376.505 0.147 20 0 GCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447466 1201412573 /nfs/dbraw/zinc/41/25/73/1201412573.db2.gz OROCWHSZMVNMMT-NCXUSEDFSA-N 2 1 375.517 0.752 20 0 GCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447466 1201412574 /nfs/dbraw/zinc/41/25/74/1201412574.db2.gz OROCWHSZMVNMMT-NCXUSEDFSA-N 2 1 375.517 0.752 20 0 GCADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447466 1201412575 /nfs/dbraw/zinc/41/25/75/1201412575.db2.gz OROCWHSZMVNMMT-NCXUSEDFSA-N 2 1 375.517 0.752 20 0 GCADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447466 1201412581 /nfs/dbraw/zinc/41/25/81/1201412581.db2.gz OROCWHSZMVNMMT-NCXUSEDFSA-N 2 1 375.517 0.752 20 0 GCADMP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085243099 1201647632 /nfs/dbraw/zinc/64/76/32/1201647632.db2.gz VIMYMIFXIOUWEK-MWQQHZPXSA-N 2 1 377.489 0.721 20 0 GCADMP COc1cncc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085243099 1201647635 /nfs/dbraw/zinc/64/76/35/1201647635.db2.gz VIMYMIFXIOUWEK-MWQQHZPXSA-N 2 1 377.489 0.721 20 0 GCADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734487841 1201653007 /nfs/dbraw/zinc/65/30/07/1201653007.db2.gz WPFHRALXMFCZJO-HZGBGQKMSA-N 2 1 396.557 0.678 20 0 GCADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487841 1201653014 /nfs/dbraw/zinc/65/30/14/1201653014.db2.gz WPFHRALXMFCZJO-HZGBGQKMSA-N 2 1 396.557 0.678 20 0 GCADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423662 1201842582 /nfs/dbraw/zinc/84/25/82/1201842582.db2.gz NAJXPNMGNLKTHK-HNNXBMFYSA-N 2 1 379.505 0.936 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423662 1201842584 /nfs/dbraw/zinc/84/25/84/1201842584.db2.gz NAJXPNMGNLKTHK-HNNXBMFYSA-N 2 1 379.505 0.936 20 0 GCADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423662 1201842585 /nfs/dbraw/zinc/84/25/85/1201842585.db2.gz NAJXPNMGNLKTHK-HNNXBMFYSA-N 2 1 379.505 0.936 20 0 GCADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000744423662 1201842587 /nfs/dbraw/zinc/84/25/87/1201842587.db2.gz NAJXPNMGNLKTHK-HNNXBMFYSA-N 2 1 379.505 0.936 20 0 GCADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000745824673 1201891401 /nfs/dbraw/zinc/89/14/01/1201891401.db2.gz KWZHNQBBKOZOAK-HKUYNNGSSA-N 2 1 381.565 0.813 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNS(=O)(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000923603649 1201897617 /nfs/dbraw/zinc/89/76/17/1201897617.db2.gz OPCXILNYKQTYSN-GOSISDBHSA-N 2 1 385.530 0.815 20 0 GCADMP COc1ccc(CN2CC[C@@H]([NH2+]CCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168894086 1201927927 /nfs/dbraw/zinc/92/79/27/1201927927.db2.gz BVYXSNGNYGNPGD-GOSISDBHSA-N 2 1 388.512 0.940 20 0 GCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)S(C)(=O)=O)cn1 ZINC001169130422 1201932640 /nfs/dbraw/zinc/93/26/40/1201932640.db2.gz NXHPEBOVILDPGI-OBVSXPTNSA-N 2 1 381.546 0.580 20 0 GCADMP COC(=O)[C@H](CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)CNC(C)=O ZINC001169125308 1201932693 /nfs/dbraw/zinc/93/26/93/1201932693.db2.gz YQWWUJMHCUIRSH-NXOAAHMSSA-N 2 1 382.505 0.165 20 0 GCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CC[NH+]([C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC001169134921 1201933290 /nfs/dbraw/zinc/93/32/90/1201933290.db2.gz XERVXPMDVHGILC-REPLKXPHSA-N 3 1 377.577 0.782 20 0 GCADMP CN1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC3(CC1)C(=O)N(CC[NH+](C)C)CCN3C)C2 ZINC001169134921 1201933295 /nfs/dbraw/zinc/93/32/95/1201933295.db2.gz XERVXPMDVHGILC-REPLKXPHSA-N 2 1 377.577 0.782 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@H]1CC[N@@H+](C)C1 ZINC001169167750 1201934555 /nfs/dbraw/zinc/93/45/55/1201934555.db2.gz KZYOTIARQBJZOT-LSDHHAIUSA-N 2 1 376.505 0.534 20 0 GCADMP C[C@H]1C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000767612679 1201979364 /nfs/dbraw/zinc/97/93/64/1201979364.db2.gz QUIPDUUIBDOUPD-QFBILLFUSA-N 2 1 380.558 0.834 20 0 GCADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(NC(=S)NCCC[NH+]2CCOCC2)CC1 ZINC000767693052 1201983033 /nfs/dbraw/zinc/98/30/33/1201983033.db2.gz XUNFSXWFOASOOS-ZWKOTPCHSA-N 2 1 384.590 0.941 20 0 GCADMP C[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001109113077 1201996686 /nfs/dbraw/zinc/99/66/86/1201996686.db2.gz BBBHBFLBKRMUMJ-OWSLCNJRSA-N 2 1 376.505 0.501 20 0 GCADMP C[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)C1 ZINC001109113077 1201996688 /nfs/dbraw/zinc/99/66/88/1201996688.db2.gz BBBHBFLBKRMUMJ-OWSLCNJRSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)C1 ZINC001109113077 1201996690 /nfs/dbraw/zinc/99/66/90/1201996690.db2.gz BBBHBFLBKRMUMJ-OWSLCNJRSA-N 2 1 376.505 0.501 20 0 GCADMP C[NH+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCn2cncn2)C1 ZINC001109113077 1201996693 /nfs/dbraw/zinc/99/66/93/1201996693.db2.gz BBBHBFLBKRMUMJ-OWSLCNJRSA-N 2 1 376.505 0.501 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109295197 1202015121 /nfs/dbraw/zinc/01/51/21/1202015121.db2.gz ZPGVUKIZGDRTHQ-YRXWBPOGSA-N 2 1 378.517 0.202 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCS(=O)(=O)N(C)C)CC[N@H+]1C ZINC001109304227 1202018728 /nfs/dbraw/zinc/01/87/28/1202018728.db2.gz PZJBIPFDOWCGNT-MTSZKFMLSA-N 2 1 386.562 0.330 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC001109304227 1202018729 /nfs/dbraw/zinc/01/87/29/1202018729.db2.gz PZJBIPFDOWCGNT-MTSZKFMLSA-N 2 1 386.562 0.330 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCS(=O)(=O)N(C)C)CC[NH+]1C ZINC001109304227 1202018730 /nfs/dbraw/zinc/01/87/30/1202018730.db2.gz PZJBIPFDOWCGNT-MTSZKFMLSA-N 2 1 386.562 0.330 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408185 1202040651 /nfs/dbraw/zinc/04/06/51/1202040651.db2.gz KKLFUHCCGJCNNW-BGTYHANMSA-N 2 1 380.533 0.733 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](C)C1CCC1)C2 ZINC001109408185 1202040654 /nfs/dbraw/zinc/04/06/54/1202040654.db2.gz KKLFUHCCGJCNNW-BGTYHANMSA-N 2 1 380.533 0.733 20 0 GCADMP COCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+](C)C1CCC1)C2 ZINC001109408185 1202040659 /nfs/dbraw/zinc/04/06/59/1202040659.db2.gz KKLFUHCCGJCNNW-BGTYHANMSA-N 2 1 380.533 0.733 20 0 GCADMP COCCCNC(=O)[C@@H](C)[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C2 ZINC001109408185 1202040662 /nfs/dbraw/zinc/04/06/62/1202040662.db2.gz KKLFUHCCGJCNNW-BGTYHANMSA-N 2 1 380.533 0.733 20 0 GCADMP C[C@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565582 1202081372 /nfs/dbraw/zinc/08/13/72/1202081372.db2.gz URYJOGNIDWPGJR-KBXIAJHMSA-N 2 1 379.505 0.556 20 0 GCADMP C[C@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565582 1202081374 /nfs/dbraw/zinc/08/13/74/1202081374.db2.gz URYJOGNIDWPGJR-KBXIAJHMSA-N 2 1 379.505 0.556 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672464 1202103559 /nfs/dbraw/zinc/10/35/59/1202103559.db2.gz GIDFZPPCQKHQAF-FZKCQIBNSA-N 2 1 381.521 0.530 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672464 1202103561 /nfs/dbraw/zinc/10/35/61/1202103561.db2.gz GIDFZPPCQKHQAF-FZKCQIBNSA-N 2 1 381.521 0.530 20 0 GCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)[NH+](CC)CC ZINC001109714266 1202109828 /nfs/dbraw/zinc/10/98/28/1202109828.db2.gz DUMIJMNMRMLURW-QZWWFDLISA-N 2 1 378.517 0.977 20 0 GCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)[NH+](CC)CC ZINC001109714266 1202109831 /nfs/dbraw/zinc/10/98/31/1202109831.db2.gz DUMIJMNMRMLURW-QZWWFDLISA-N 2 1 378.517 0.977 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799369 1202124217 /nfs/dbraw/zinc/12/42/17/1202124217.db2.gz WERPRFAZARTSNV-QYZOEREBSA-N 2 1 380.533 0.593 20 0 GCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109868461 1202140485 /nfs/dbraw/zinc/14/04/85/1202140485.db2.gz RTCBLZGKYWPXEK-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC[NH+](CC)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109868461 1202140488 /nfs/dbraw/zinc/14/04/88/1202140488.db2.gz RTCBLZGKYWPXEK-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@H](C)C(=O)NC(N)=O)CC1 ZINC001109918353 1202148466 /nfs/dbraw/zinc/14/84/66/1202148466.db2.gz CSBPPFTWUFVMSO-OJLVUWQFSA-N 2 1 379.505 0.412 20 0 GCADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@H](C)C(=O)NC(N)=O)CC1 ZINC001109918353 1202148468 /nfs/dbraw/zinc/14/84/68/1202148468.db2.gz CSBPPFTWUFVMSO-OJLVUWQFSA-N 2 1 379.505 0.412 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001109979997 1202165631 /nfs/dbraw/zinc/16/56/31/1202165631.db2.gz IHTBHJXOUPCDJB-VSZNYVQBSA-N 2 1 378.517 0.440 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C2CCC2)C1=O ZINC001109979997 1202165634 /nfs/dbraw/zinc/16/56/34/1202165634.db2.gz IHTBHJXOUPCDJB-VSZNYVQBSA-N 2 1 378.517 0.440 20 0 GCADMP Cc1csc(=O)n1CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980702 1202166531 /nfs/dbraw/zinc/16/65/31/1202166531.db2.gz XDJBZWRCARFCPS-PMPSAXMXSA-N 2 1 382.530 0.518 20 0 GCADMP Cc1csc(=O)n1CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980702 1202166532 /nfs/dbraw/zinc/16/65/32/1202166532.db2.gz XDJBZWRCARFCPS-PMPSAXMXSA-N 2 1 382.530 0.518 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000787667475 1205398284 /nfs/dbraw/zinc/39/82/84/1205398284.db2.gz DAQMWZUEPCHCAH-FUHWJXTLSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000787667473 1205398433 /nfs/dbraw/zinc/39/84/33/1205398433.db2.gz DAQMWZUEPCHCAH-AEFFLSMTSA-N 2 1 380.533 0.594 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747113043 1205498323 /nfs/dbraw/zinc/49/83/23/1205498323.db2.gz QXNNXVGBXYVDLS-IAGOWNOFSA-N 2 1 398.548 0.796 20 0 GCADMP CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000747113043 1205498324 /nfs/dbraw/zinc/49/83/24/1205498324.db2.gz QXNNXVGBXYVDLS-IAGOWNOFSA-N 2 1 398.548 0.796 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000793717050 1205503307 /nfs/dbraw/zinc/50/33/07/1205503307.db2.gz DGGVIOHSIFHRDF-QRVBRYPASA-N 2 1 388.512 0.693 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718021 1205503370 /nfs/dbraw/zinc/50/33/70/1205503370.db2.gz AEAQOSYGOIPAII-SJORKVTESA-N 2 1 395.548 0.036 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000793720791 1205503469 /nfs/dbraw/zinc/50/34/69/1205503469.db2.gz HRJLZRHOYMQAAE-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000793720791 1205503470 /nfs/dbraw/zinc/50/34/70/1205503470.db2.gz HRJLZRHOYMQAAE-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701010 1205504329 /nfs/dbraw/zinc/50/43/29/1205504329.db2.gz NNUWPQKBZKTRCT-HKUYNNGSSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701010 1205504331 /nfs/dbraw/zinc/50/43/31/1205504331.db2.gz NNUWPQKBZKTRCT-HKUYNNGSSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000793850350 1205507722 /nfs/dbraw/zinc/50/77/22/1205507722.db2.gz XEDNRTALYJOPIY-GVDBMIGSSA-N 2 1 392.500 0.758 20 0 GCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccco1 ZINC000793850351 1205507846 /nfs/dbraw/zinc/50/78/46/1205507846.db2.gz XEDNRTALYJOPIY-IXDOHACOSA-N 2 1 392.500 0.758 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)c1 ZINC000793872023 1205508569 /nfs/dbraw/zinc/50/85/69/1205508569.db2.gz WRDMURGCGTUVHR-OALUTQOASA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000793872023 1205508571 /nfs/dbraw/zinc/50/85/71/1205508571.db2.gz WRDMURGCGTUVHR-OALUTQOASA-N 2 1 388.512 0.734 20 0 GCADMP CC[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000793872023 1205508574 /nfs/dbraw/zinc/50/85/74/1205508574.db2.gz WRDMURGCGTUVHR-OALUTQOASA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000793916165 1205509381 /nfs/dbraw/zinc/50/93/81/1205509381.db2.gz XNZSIJGLIYENGH-XWTMOSNGSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000793916165 1205509383 /nfs/dbraw/zinc/50/93/83/1205509383.db2.gz XNZSIJGLIYENGH-XWTMOSNGSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000793916165 1205509385 /nfs/dbraw/zinc/50/93/85/1205509385.db2.gz XNZSIJGLIYENGH-XWTMOSNGSA-N 2 1 394.560 0.839 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000805636057 1205541696 /nfs/dbraw/zinc/54/16/96/1205541696.db2.gz JOAXQZDJCRMBFK-SQNIBIBYSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000805636057 1205541699 /nfs/dbraw/zinc/54/16/99/1205541699.db2.gz JOAXQZDJCRMBFK-SQNIBIBYSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000805636057 1205541700 /nfs/dbraw/zinc/54/17/00/1205541700.db2.gz JOAXQZDJCRMBFK-SQNIBIBYSA-N 2 1 394.560 0.983 20 0 GCADMP CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130593343 1205554273 /nfs/dbraw/zinc/55/42/73/1205554273.db2.gz XIVALUOJGGKPQD-XLMAVXFVSA-N 2 1 390.532 0.123 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@H]([NH+]2CCN(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001170616234 1205642070 /nfs/dbraw/zinc/64/20/70/1205642070.db2.gz IAIMXRCTTXKROX-HOTGVXAUSA-N 2 1 384.521 0.894 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCN3C(=O)CNC3=O)C2)CC[N@H+]1C ZINC001086701453 1205661404 /nfs/dbraw/zinc/66/14/04/1205661404.db2.gz XCXFPVDBLQFPRE-XUWVNRHRSA-N 2 1 379.505 0.143 20 0 GCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001172115012 1205713067 /nfs/dbraw/zinc/71/30/67/1205713067.db2.gz FXWNVVWKYDDJQO-MUJYYYPQSA-N 2 1 381.546 0.806 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172172362 1205713424 /nfs/dbraw/zinc/71/34/24/1205713424.db2.gz PKFBMHSYKFKLIK-UONOGXRCSA-N 2 1 375.473 0.478 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172172362 1205713426 /nfs/dbraw/zinc/71/34/26/1205713426.db2.gz PKFBMHSYKFKLIK-UONOGXRCSA-N 2 1 375.473 0.478 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CCN4C(=O)CC[C@H]4C2)CC3)CC1 ZINC001172179218 1205714396 /nfs/dbraw/zinc/71/43/96/1205714396.db2.gz RKHNUWKNALCBKW-IRXDYDNUSA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CCN4C(=O)CC[C@H]4C2)CC3)CC1 ZINC001172179218 1205714398 /nfs/dbraw/zinc/71/43/98/1205714398.db2.gz RKHNUWKNALCBKW-IRXDYDNUSA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CCN4C(=O)CC[C@@H]4C2)CC3)CC1 ZINC001172179217 1205714600 /nfs/dbraw/zinc/71/46/00/1205714600.db2.gz RKHNUWKNALCBKW-IAGOWNOFSA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CCN4C(=O)CC[C@@H]4C2)CC3)CC1 ZINC001172179217 1205714602 /nfs/dbraw/zinc/71/46/02/1205714602.db2.gz RKHNUWKNALCBKW-IAGOWNOFSA-N 2 1 384.528 0.782 20 0 GCADMP COC(=O)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CCN1C(=O)c1ccccc1 ZINC001173493749 1205722707 /nfs/dbraw/zinc/72/27/07/1205722707.db2.gz AEIYAAJFOXIPOB-MOPGFXCFSA-N 2 1 389.496 0.879 20 0 GCADMP COC(=O)[C@@H]1C[C@@H]([NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)C[C@@H]1C(=O)OC ZINC001173583345 1205725256 /nfs/dbraw/zinc/72/52/56/1205725256.db2.gz QCADPZJRMXTLIX-OSYLJGHBSA-N 2 1 395.500 0.213 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755733 1205727518 /nfs/dbraw/zinc/72/75/18/1205727518.db2.gz WBDPUFVNZGNYHJ-ZJPYXAASSA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755733 1205727519 /nfs/dbraw/zinc/72/75/19/1205727519.db2.gz WBDPUFVNZGNYHJ-ZJPYXAASSA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCC[C@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755733 1205727520 /nfs/dbraw/zinc/72/75/20/1205727520.db2.gz WBDPUFVNZGNYHJ-ZJPYXAASSA-N 2 1 391.520 0.268 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173763398 1205727930 /nfs/dbraw/zinc/72/79/30/1205727930.db2.gz REMPYLVGFGEMRV-DLBZAZTESA-N 2 1 397.531 0.799 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CCC[C@@H](n4ncnn4)C2)CC3)CC1 ZINC001173763398 1205727932 /nfs/dbraw/zinc/72/79/32/1205727932.db2.gz REMPYLVGFGEMRV-DLBZAZTESA-N 2 1 397.531 0.799 20 0 GCADMP CC(C)(C)OC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCC[NH2+]CCO)C2)CC1 ZINC001179379124 1205809303 /nfs/dbraw/zinc/80/93/03/1205809303.db2.gz GHTYWJBYGGPMPR-INIZCTEOSA-N 2 1 398.548 0.796 20 0 GCADMP CC[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC001180011558 1205816986 /nfs/dbraw/zinc/81/69/86/1205816986.db2.gz OXHTUTRRJSTWRK-IAGOWNOFSA-N 2 1 388.578 0.690 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N(CCCC[NH3+])C(N)=[NH2+] ZINC001180408928 1205824530 /nfs/dbraw/zinc/82/45/30/1205824530.db2.gz VQTGDVZFZPJWKL-JKSUJKDBSA-N 3 1 375.473 0.369 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001180408469 1205824827 /nfs/dbraw/zinc/82/48/27/1205824827.db2.gz WTWQPSULHRZJIV-CEXWTWQISA-N 2 1 389.496 0.697 20 0 GCADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC001180757148 1205830658 /nfs/dbraw/zinc/83/06/58/1205830658.db2.gz CVUKNHBBLOFYFM-XWSJACJDSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC001180757148 1205830659 /nfs/dbraw/zinc/83/06/59/1205830659.db2.gz CVUKNHBBLOFYFM-XWSJACJDSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC[C@@H]21 ZINC001180757148 1205830660 /nfs/dbraw/zinc/83/06/60/1205830660.db2.gz CVUKNHBBLOFYFM-XWSJACJDSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC[C@@H]21 ZINC001180757148 1205830662 /nfs/dbraw/zinc/83/06/62/1205830662.db2.gz CVUKNHBBLOFYFM-XWSJACJDSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[NH+](C)CCO1)CCC2 ZINC001180759569 1205831463 /nfs/dbraw/zinc/83/14/63/1205831463.db2.gz QAZCBDSZXFMBCK-INIZCTEOSA-N 2 1 377.489 0.146 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[NH+](C)CCO1)CCC2 ZINC001180759569 1205831465 /nfs/dbraw/zinc/83/14/65/1205831465.db2.gz QAZCBDSZXFMBCK-INIZCTEOSA-N 2 1 377.489 0.146 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@H+](C)CCO1)CCC2 ZINC001180759569 1205831469 /nfs/dbraw/zinc/83/14/69/1205831469.db2.gz QAZCBDSZXFMBCK-INIZCTEOSA-N 2 1 377.489 0.146 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1C[N@@H+](C)CCO1)CCC2 ZINC001180759569 1205831471 /nfs/dbraw/zinc/83/14/71/1205831471.db2.gz QAZCBDSZXFMBCK-INIZCTEOSA-N 2 1 377.489 0.146 20 0 GCADMP C[C@@H](C(=O)N([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+])N(C)C ZINC001180864974 1205834774 /nfs/dbraw/zinc/83/47/74/1205834774.db2.gz NNAQEGYZOBDUEW-WKLICJCCSA-N 2 1 388.553 0.232 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C34CC[NH+](CC3)CC4)C2)C1 ZINC001181549542 1205846384 /nfs/dbraw/zinc/84/63/84/1205846384.db2.gz QFAKZYXQEHXOGT-LJQANCHMSA-N 2 1 378.517 0.159 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C34CC[NH+](CC3)CC4)C2)C1 ZINC001181549542 1205846385 /nfs/dbraw/zinc/84/63/85/1205846385.db2.gz QFAKZYXQEHXOGT-LJQANCHMSA-N 2 1 378.517 0.159 20 0 GCADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001181991501 1205853072 /nfs/dbraw/zinc/85/30/72/1205853072.db2.gz ACWLBGMTFIWKGA-HNNXBMFYSA-N 2 1 377.489 0.725 20 0 GCADMP COC(=O)[C@@]1(NC(=O)C2(O)CC[NH+](C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC001182035863 1205854389 /nfs/dbraw/zinc/85/43/89/1205854389.db2.gz HFAATRODXQNDCC-LJQANCHMSA-N 2 1 375.469 0.377 20 0 GCADMP C[N@H+](CC(=O)n1cc(C[NH3+])cnc1=N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816792 1205900471 /nfs/dbraw/zinc/90/04/71/1205900471.db2.gz KMJKPQCOVYYVGS-CQSZACIVSA-N 2 1 378.477 0.793 20 0 GCADMP C[N@@H+](CC(=O)n1cc(C[NH3+])cnc1=N)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816792 1205900472 /nfs/dbraw/zinc/90/04/72/1205900472.db2.gz KMJKPQCOVYYVGS-CQSZACIVSA-N 2 1 378.477 0.793 20 0 GCADMP COC(=O)/C=C1/SCC(=O)N1CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774727468 1205906417 /nfs/dbraw/zinc/90/64/17/1205906417.db2.gz WGABRADUUWEGBG-NBVRZTHBSA-N 2 1 398.573 0.924 20 0 GCADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)C1 ZINC001185227709 1205918034 /nfs/dbraw/zinc/91/80/34/1205918034.db2.gz XSNRGSHXARQMJT-MOPGFXCFSA-N 2 1 385.512 0.896 20 0 GCADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)C1 ZINC001185227709 1205918035 /nfs/dbraw/zinc/91/80/35/1205918035.db2.gz XSNRGSHXARQMJT-MOPGFXCFSA-N 2 1 385.512 0.896 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001186044990 1205934196 /nfs/dbraw/zinc/93/41/96/1205934196.db2.gz NYJVJFVBINUJBX-DLBZAZTESA-N 2 1 396.532 0.643 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001186044990 1205934197 /nfs/dbraw/zinc/93/41/97/1205934197.db2.gz NYJVJFVBINUJBX-DLBZAZTESA-N 2 1 396.532 0.643 20 0 GCADMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186047647 1205934247 /nfs/dbraw/zinc/93/42/47/1205934247.db2.gz ATPHQLRAEPVQNB-OWCLPIDISA-N 2 1 382.505 0.110 20 0 GCADMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186047647 1205934248 /nfs/dbraw/zinc/93/42/48/1205934248.db2.gz ATPHQLRAEPVQNB-OWCLPIDISA-N 2 1 382.505 0.110 20 0 GCADMP CC(C)(C)OC(=O)N1CC[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186047647 1205934249 /nfs/dbraw/zinc/93/42/49/1205934249.db2.gz ATPHQLRAEPVQNB-OWCLPIDISA-N 2 1 382.505 0.110 20 0 GCADMP CC(C)(C)OC(=O)N1CC[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@@H](O)C3)C[C@H]2C1 ZINC001186047647 1205934250 /nfs/dbraw/zinc/93/42/50/1205934250.db2.gz ATPHQLRAEPVQNB-OWCLPIDISA-N 2 1 382.505 0.110 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N2CCc3ncc(C[NH+]4CCCC4)n3CC2)C1 ZINC001186106856 1205935158 /nfs/dbraw/zinc/93/51/58/1205935158.db2.gz PUNJMWARZXPVBA-INIZCTEOSA-N 2 1 389.500 0.359 20 0 GCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@H]1CCC[N@@H+](C)C1)CC2 ZINC001186353351 1205938261 /nfs/dbraw/zinc/93/82/61/1205938261.db2.gz GADBLWWDMVUPQI-KRWDZBQOSA-N 2 1 379.549 0.025 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164722319 720299245 /nfs/dbraw/zinc/29/92/45/720299245.db2.gz PUTGENAWOLEHFR-FQEVSTJZSA-N 2 1 375.517 0.808 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C[NH+](C)C)ccn3)C2)C1 ZINC001164722319 720299261 /nfs/dbraw/zinc/29/92/61/720299261.db2.gz PUTGENAWOLEHFR-FQEVSTJZSA-N 2 1 375.517 0.808 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)CC[NH2+]C2 ZINC001164744389 720640114 /nfs/dbraw/zinc/64/01/14/720640114.db2.gz RZFPYQWDJCYUPZ-CHWSQXEVSA-N 2 1 387.875 0.908 20 0 GCADMP c1ncc(O[C@@H]2C[C@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@@H+]3C2)cn1 ZINC001164743765 720708647 /nfs/dbraw/zinc/70/86/47/720708647.db2.gz YEVVOGOAQGTIBQ-JKSUJKDBSA-N 2 1 382.472 0.018 20 0 GCADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740373 720725178 /nfs/dbraw/zinc/72/51/78/720725178.db2.gz KJSJGPCVSVLVND-ZWKOTPCHSA-N 2 1 395.511 0.965 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@@H]2C1 ZINC001164850924 720840126 /nfs/dbraw/zinc/84/01/26/720840126.db2.gz FOTMSFXNFMQFSG-CZUORRHYSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@H]2C1 ZINC001164850925 720840446 /nfs/dbraw/zinc/84/04/46/720840446.db2.gz FOTMSFXNFMQFSG-XJKSGUPXSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]2C1 ZINC001164859560 720864335 /nfs/dbraw/zinc/86/43/35/720864335.db2.gz UMJNCXWABUDSJR-SJORKVTESA-N 2 1 377.489 0.487 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3cc[nH+]c(N4CCOCC4)n3)CC[C@@H]2C1 ZINC001164859560 720864337 /nfs/dbraw/zinc/86/43/37/720864337.db2.gz UMJNCXWABUDSJR-SJORKVTESA-N 2 1 377.489 0.487 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@H]3C2)cn1 ZINC001164762690 721080039 /nfs/dbraw/zinc/08/00/39/721080039.db2.gz FFHBNUDWHSDLMH-RTBURBONSA-N 2 1 396.543 0.920 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4c(n3)CC[NH2+]C4)CC2)C1 ZINC001164870240 721263819 /nfs/dbraw/zinc/26/38/19/721263819.db2.gz UTKMHWNMIVBARC-UHFFFAOYSA-N 2 1 387.528 0.734 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc4c(n3)CC[NH2+]C4)CC2)C1 ZINC001164868852 721266052 /nfs/dbraw/zinc/26/60/52/721266052.db2.gz FWKJQVPBTJMZIF-UHFFFAOYSA-N 2 1 388.516 0.129 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncnc4c3CC[NH2+]C4)CC2)C1 ZINC001164868531 721267203 /nfs/dbraw/zinc/26/72/03/721267203.db2.gz ASMRWYABWRPFBW-UHFFFAOYSA-N 2 1 388.516 0.129 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(C4C[NH2+]C4)ncn3)CC2)C1 ZINC001164874810 721293864 /nfs/dbraw/zinc/29/38/64/721293864.db2.gz CRIOMLMLCLDUCI-UHFFFAOYSA-N 2 1 388.516 0.170 20 0 GCADMP C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc5c(n4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889743 721391508 /nfs/dbraw/zinc/39/15/08/721391508.db2.gz MAAUJZRDXAFCHD-GHTZIAJQSA-N 2 1 386.544 0.888 20 0 GCADMP COc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264499 945485605 /nfs/dbraw/zinc/48/56/05/945485605.db2.gz QECVMIMIPHWCLO-HUUCEWRRSA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264499 945485611 /nfs/dbraw/zinc/48/56/11/945485611.db2.gz QECVMIMIPHWCLO-HUUCEWRRSA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264499 945485615 /nfs/dbraw/zinc/48/56/15/945485615.db2.gz QECVMIMIPHWCLO-HUUCEWRRSA-N 2 1 385.472 0.518 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189491 945649241 /nfs/dbraw/zinc/64/92/41/945649241.db2.gz MWZAOXTVYJUNBH-IAGOWNOFSA-N 2 1 387.488 0.826 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189491 945649245 /nfs/dbraw/zinc/64/92/45/945649245.db2.gz MWZAOXTVYJUNBH-IAGOWNOFSA-N 2 1 387.488 0.826 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282698 945857249 /nfs/dbraw/zinc/85/72/49/945857249.db2.gz NXCNATIMBCQGDZ-HIFRSBDPSA-N 2 1 387.463 0.896 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282699 945858648 /nfs/dbraw/zinc/85/86/48/945858648.db2.gz NXCNATIMBCQGDZ-UKRRQHHQSA-N 2 1 387.463 0.896 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825450628 947192429 /nfs/dbraw/zinc/19/24/29/947192429.db2.gz BSHLXEWMYLXNAJ-AWEZNQCLSA-N 2 1 390.492 0.580 20 0 GCADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263781 949408798 /nfs/dbraw/zinc/40/87/98/949408798.db2.gz JMBPOAWBHXQXSR-GXTWGEPZSA-N 2 1 387.463 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713097 949595491 /nfs/dbraw/zinc/59/54/91/949595491.db2.gz VWTGTFJRWUMBME-MLGOLLRUSA-N 2 1 391.451 0.273 20 0 GCADMP C[C@H](CN(C)C(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713097 949595499 /nfs/dbraw/zinc/59/54/99/949595499.db2.gz VWTGTFJRWUMBME-MLGOLLRUSA-N 2 1 391.451 0.273 20 0 GCADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575271838 949628079 /nfs/dbraw/zinc/62/80/79/949628079.db2.gz MUKMELJQHVNFEN-LBPRGKRZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575272965 949654341 /nfs/dbraw/zinc/65/43/41/949654341.db2.gz SUZGBCQCSXHCCO-LBPRGKRZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001576191378 950194649 /nfs/dbraw/zinc/19/46/49/950194649.db2.gz FQLLENIFBPHMTR-RHSMWYFYSA-N 2 1 387.488 0.117 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576196764 950371037 /nfs/dbraw/zinc/37/10/37/950371037.db2.gz HMYMHZJBWRBZLQ-HUUCEWRRSA-N 2 1 384.488 0.818 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197453 950397087 /nfs/dbraw/zinc/39/70/87/950397087.db2.gz OKFPQQZKPXMDBS-HUUCEWRRSA-N 2 1 384.488 0.676 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208359 950609071 /nfs/dbraw/zinc/60/90/71/950609071.db2.gz OHYQMNWNTQUHDC-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](C[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574772631 950977072 /nfs/dbraw/zinc/97/70/72/950977072.db2.gz SZYJTFUISYMVKA-STQMWFEESA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574772631 950977090 /nfs/dbraw/zinc/97/70/90/950977090.db2.gz SZYJTFUISYMVKA-STQMWFEESA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574772631 950977108 /nfs/dbraw/zinc/97/71/08/950977108.db2.gz SZYJTFUISYMVKA-STQMWFEESA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078047 951678215 /nfs/dbraw/zinc/67/82/15/951678215.db2.gz JNEPOKVFUQKJJW-TZMCWYRMSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079513 951692439 /nfs/dbraw/zinc/69/24/39/951692439.db2.gz QFASXWDKGGXUOA-WBMJQRKESA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079513 951692444 /nfs/dbraw/zinc/69/24/44/951692444.db2.gz QFASXWDKGGXUOA-WBMJQRKESA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081706 951725284 /nfs/dbraw/zinc/72/52/84/951725284.db2.gz RTKFHYBAXPIOQW-GXTWGEPZSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575081707 951725936 /nfs/dbraw/zinc/72/59/36/951725936.db2.gz RTKFHYBAXPIOQW-JSGCOSHPSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082459 951733572 /nfs/dbraw/zinc/73/35/72/951733572.db2.gz ZEDZOCGLIFKBGL-WBMJQRKESA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082459 951733580 /nfs/dbraw/zinc/73/35/80/951733580.db2.gz ZEDZOCGLIFKBGL-WBMJQRKESA-N 2 1 391.451 0.178 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119949 952497207 /nfs/dbraw/zinc/49/72/07/952497207.db2.gz HLLUOURVOXAODH-OLZOCXBDSA-N 2 1 375.502 0.818 20 0 GCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119949 952497213 /nfs/dbraw/zinc/49/72/13/952497213.db2.gz HLLUOURVOXAODH-OLZOCXBDSA-N 2 1 375.502 0.818 20 0 GCADMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119949 952497216 /nfs/dbraw/zinc/49/72/16/952497216.db2.gz HLLUOURVOXAODH-OLZOCXBDSA-N 2 1 375.502 0.818 20 0 GCADMP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001571190258 952940771 /nfs/dbraw/zinc/94/07/71/952940771.db2.gz GBNKULWUXUHGMY-QGZVFWFLSA-N 2 1 381.484 0.995 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1C ZINC001571193081 952950825 /nfs/dbraw/zinc/95/08/25/952950825.db2.gz XVFYNPGHORBTSS-XFKAJCMBSA-N 2 1 381.484 0.992 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC001571193081 952950829 /nfs/dbraw/zinc/95/08/29/952950829.db2.gz XVFYNPGHORBTSS-XFKAJCMBSA-N 2 1 381.484 0.992 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC001571193081 952950831 /nfs/dbraw/zinc/95/08/31/952950831.db2.gz XVFYNPGHORBTSS-XFKAJCMBSA-N 2 1 381.484 0.992 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2cccc(-c3nn[nH]n3)c2)CC[NH+]1C ZINC001571193081 952950837 /nfs/dbraw/zinc/95/08/37/952950837.db2.gz XVFYNPGHORBTSS-XFKAJCMBSA-N 2 1 381.484 0.992 20 0 GCADMP O=C(N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)C12CCC[NH+]1CCC2 ZINC001571216915 953104158 /nfs/dbraw/zinc/10/41/58/953104158.db2.gz CFAOHVKWEQQLEO-UHFFFAOYSA-N 2 1 382.472 0.929 20 0 GCADMP O=C(N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+](CCC1)C2 ZINC001571216914 953104346 /nfs/dbraw/zinc/10/43/46/953104346.db2.gz CEBMPEQMUQZJHV-CQSZACIVSA-N 2 1 382.472 0.833 20 0 GCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571241763 953250058 /nfs/dbraw/zinc/25/00/58/953250058.db2.gz KTRYYSBGSSDJQG-HDJSIYSDSA-N 2 1 384.419 0.948 20 0 GCADMP Cc1cc(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252503 953329885 /nfs/dbraw/zinc/32/98/85/953329885.db2.gz NZTMQIFPYBVRSB-KKUMJFAQSA-N 2 1 384.488 0.995 20 0 GCADMP C[C@H]1C[C@@H](C(=O)NCC2CC(Nc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571252746 953332558 /nfs/dbraw/zinc/33/25/58/953332558.db2.gz VPSQEEFHQHGRRI-LQULJDIASA-N 2 1 384.488 0.721 20 0 GCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1Cl ZINC000415617621 530503451 /nfs/dbraw/zinc/50/34/51/530503451.db2.gz VLHFSZHXSBAAAJ-UHFFFAOYSA-N 2 1 378.807 0.929 20 0 GCADMP C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)C(=O)NCC[NH3+] ZINC000415266469 530501784 /nfs/dbraw/zinc/50/17/84/530501784.db2.gz HKPSZVQMUSFUDF-NSHDSACASA-N 2 1 398.305 0.603 20 0 GCADMP O=S(=O)(c1cccc2nsnc21)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000576929420 530613820 /nfs/dbraw/zinc/61/38/20/530613820.db2.gz WDFAGDPCKRMBSI-ZDUSSCGKSA-N 2 1 381.527 0.997 20 0 GCADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000582893219 530856137 /nfs/dbraw/zinc/85/61/37/530856137.db2.gz GKCNBPPTVIQZKK-IMRBUKKESA-N 2 1 395.305 0.935 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146616 599074678 /nfs/dbraw/zinc/07/46/78/599074678.db2.gz IWFPGPZTNKGPNN-GUYCJALGSA-N 2 1 387.488 0.418 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146616 599074681 /nfs/dbraw/zinc/07/46/81/599074681.db2.gz IWFPGPZTNKGPNN-GUYCJALGSA-N 2 1 387.488 0.418 20 0 GCADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736798166 599077545 /nfs/dbraw/zinc/07/75/45/599077545.db2.gz RXFMTXIOTYDXGI-UHFFFAOYSA-N 2 1 387.488 0.974 20 0 GCADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736798166 599077547 /nfs/dbraw/zinc/07/75/47/599077547.db2.gz RXFMTXIOTYDXGI-UHFFFAOYSA-N 2 1 387.488 0.974 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736150274 598348913 /nfs/dbraw/zinc/34/89/13/598348913.db2.gz ZJGMTCMJMNLPHO-CQSZACIVSA-N 2 1 387.488 0.830 20 0 GCADMP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502899 609491739 /nfs/dbraw/zinc/49/17/39/609491739.db2.gz MGMOSTKCPFXDEP-QGZVFWFLSA-N 2 1 388.472 0.059 20 0 GCADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824301388 609499041 /nfs/dbraw/zinc/49/90/41/609499041.db2.gz WVOPBDWRLOIOBB-CQSZACIVSA-N 2 1 388.432 0.413 20 0 GCADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824301388 609499043 /nfs/dbraw/zinc/49/90/43/609499043.db2.gz WVOPBDWRLOIOBB-CQSZACIVSA-N 2 1 388.432 0.413 20 0 GCADMP COc1cc(-c2nn[nH]n2)ccc1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000826173241 609499441 /nfs/dbraw/zinc/49/94/41/609499441.db2.gz UUGLVBPHLZHJJJ-HNNXBMFYSA-N 2 1 375.433 0.983 20 0 GCADMP COc1cc(-c2nn[nH]n2)ccc1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000826173241 609499444 /nfs/dbraw/zinc/49/94/44/609499444.db2.gz UUGLVBPHLZHJJJ-HNNXBMFYSA-N 2 1 375.433 0.983 20 0 GCADMP C[NH+](C)CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000727072324 638732648 /nfs/dbraw/zinc/73/26/48/638732648.db2.gz LWHLVUTWBIKZHW-CQSZACIVSA-N 2 1 378.608 0.499 20 0 GCADMP C[NH+]1CCN([C@@H](CNS(=O)(=O)CC2CC[NH2+]CC2)c2cccs2)CC1 ZINC000905334030 639299002 /nfs/dbraw/zinc/29/90/02/639299002.db2.gz BJAJMGCRXYWOFY-INIZCTEOSA-N 2 1 386.587 0.956 20 0 GCADMP CC(C)(O)[C@@H]1CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@@H](C(C)(C)O)C2)C1 ZINC000880146304 641628584 /nfs/dbraw/zinc/62/85/84/641628584.db2.gz LFUUQLMYXRSZKH-HZPDHXFCSA-N 2 1 376.563 0.587 20 0 GCADMP CC(C)(O)[C@@H]1CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@@H](C(C)(C)O)C2)C1 ZINC000880146304 641628586 /nfs/dbraw/zinc/62/85/86/641628586.db2.gz LFUUQLMYXRSZKH-HZPDHXFCSA-N 2 1 376.563 0.587 20 0 GCADMP C[NH+](CCCCCC[N@H+](C)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000105570126 642404415 /nfs/dbraw/zinc/40/44/15/642404415.db2.gz FJCMVBBIXSEQKG-HZPDHXFCSA-N 2 1 380.576 0.785 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000662960284 1192171117 /nfs/dbraw/zinc/17/11/17/1192171117.db2.gz PPHJGOOJZPIGCL-OALUTQOASA-N 2 1 388.512 0.338 20 0 GCADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000652361403 1192203839 /nfs/dbraw/zinc/20/38/39/1192203839.db2.gz GOCMHZUGHQVWIZ-FGTMMUONSA-N 2 1 378.517 0.428 20 0 GCADMP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279966 1192275677 /nfs/dbraw/zinc/27/56/77/1192275677.db2.gz BNFJXAUFYDXEJF-LSDHHAIUSA-N 2 1 376.509 0.191 20 0 GCADMP CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279966 1192275679 /nfs/dbraw/zinc/27/56/79/1192275679.db2.gz BNFJXAUFYDXEJF-LSDHHAIUSA-N 2 1 376.509 0.191 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000662290354 1192278211 /nfs/dbraw/zinc/27/82/11/1192278211.db2.gz QVKOQZVNDWXLGK-OAHLLOKOSA-N 2 1 380.514 0.984 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cnnn1C1CC[NH2+]CC1 ZINC000662391130 1192288912 /nfs/dbraw/zinc/28/89/12/1192288912.db2.gz SCQUVGONVQGFDD-UHFFFAOYSA-N 2 1 384.484 0.965 20 0 GCADMP [NH3+]CCn1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)nn1 ZINC000662414032 1192289347 /nfs/dbraw/zinc/28/93/47/1192289347.db2.gz TYRRCUZIAIXSGT-UHFFFAOYSA-N 2 1 391.907 0.832 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000636761155 1192300270 /nfs/dbraw/zinc/30/02/70/1192300270.db2.gz KJCBGKKDNLXJQL-UHFFFAOYSA-N 2 1 391.520 0.824 20 0 GCADMP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663362760 1192303600 /nfs/dbraw/zinc/30/36/00/1192303600.db2.gz CUPLESUPIJFCEJ-MSOLQXFVSA-N 2 1 388.468 0.707 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cnnn3C3CC[NH2+]CC3)cc2)CC1 ZINC000662691352 1192328120 /nfs/dbraw/zinc/32/81/20/1192328120.db2.gz HCZPXXMOLBPRAS-UHFFFAOYSA-N 2 1 397.483 0.843 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000563140643 1192357825 /nfs/dbraw/zinc/35/78/25/1192357825.db2.gz DRDAYAYTDIIHEE-LZWOXQAQSA-N 2 1 392.500 0.636 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C2)cc(OC)c1 ZINC000563140643 1192357831 /nfs/dbraw/zinc/35/78/31/1192357831.db2.gz DRDAYAYTDIIHEE-LZWOXQAQSA-N 2 1 392.500 0.636 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725334 1192398620 /nfs/dbraw/zinc/39/86/20/1192398620.db2.gz MSTFKHSQVGTDCT-GBESFXJTSA-N 2 1 391.560 0.356 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000981650068 1192456354 /nfs/dbraw/zinc/45/63/54/1192456354.db2.gz UHOGGAXXNKYELV-CYGHRXIMSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)O1 ZINC000981650068 1192456359 /nfs/dbraw/zinc/45/63/59/1192456359.db2.gz UHOGGAXXNKYELV-CYGHRXIMSA-N 2 1 380.533 0.448 20 0 GCADMP CC1(O)CCN(c2cc(N3CCC([N@H+]4CCC[C@@H]4C(N)=O)CC3)ncn2)CC1 ZINC000663739853 1192518894 /nfs/dbraw/zinc/51/88/94/1192518894.db2.gz PHJKPJMLOJEXHB-MRXNPFEDSA-N 2 1 388.516 0.746 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CS(N)(=O)=O)cc1 ZINC000512324516 1192604068 /nfs/dbraw/zinc/60/40/68/1192604068.db2.gz UOZIYSFJLOCBSL-GOSISDBHSA-N 2 1 396.557 0.963 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418614834 1192617687 /nfs/dbraw/zinc/61/76/87/1192617687.db2.gz LANIFNLUROKMLF-AWEZNQCLSA-N 2 1 381.443 0.186 20 0 GCADMP COC[C@@]1(CNC(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000418635040 1192621682 /nfs/dbraw/zinc/62/16/82/1192621682.db2.gz JZTYTHOOCFLQSZ-NSHGMRRFSA-N 2 1 381.565 0.955 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418660661 1192625517 /nfs/dbraw/zinc/62/55/17/1192625517.db2.gz YFDAXAJLGJMPSF-LJQANCHMSA-N 2 1 383.537 0.341 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418660661 1192625519 /nfs/dbraw/zinc/62/55/19/1192625519.db2.gz YFDAXAJLGJMPSF-LJQANCHMSA-N 2 1 383.537 0.341 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418767892 1192640736 /nfs/dbraw/zinc/64/07/36/1192640736.db2.gz RGRCBGUYXKTRHD-AWEZNQCLSA-N 2 1 381.443 0.186 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418760246 1192641055 /nfs/dbraw/zinc/64/10/55/1192641055.db2.gz JWWAQSPSVOHEEH-QRVBRYPASA-N 2 1 375.517 0.072 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1)Cc1ccccc1 ZINC000418794154 1192645662 /nfs/dbraw/zinc/64/56/62/1192645662.db2.gz QYAIIWRUZJUMII-FQEVSTJZSA-N 2 1 389.544 0.824 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418824124 1192656290 /nfs/dbraw/zinc/65/62/90/1192656290.db2.gz CTKGLHLYBHAWHF-UHFFFAOYSA-N 2 1 394.560 0.986 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000418827319 1192657667 /nfs/dbraw/zinc/65/76/67/1192657667.db2.gz DNPWHBJJYKSCKE-ZNMIVQPWSA-N 2 1 378.473 0.762 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418829403 1192658701 /nfs/dbraw/zinc/65/87/01/1192658701.db2.gz ITMPZRLNOPFGAH-FGTMMUONSA-N 2 1 392.544 0.642 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418833857 1192659943 /nfs/dbraw/zinc/65/99/43/1192659943.db2.gz IPVUOWRXBQKEMN-LHHMISFZSA-N 2 1 388.512 0.918 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C[NH3+])C1 ZINC000418836256 1192660442 /nfs/dbraw/zinc/66/04/42/1192660442.db2.gz QYHPWNKJTIJEOV-IAGOWNOFSA-N 2 1 396.532 0.102 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[C@H]1C[NH3+] ZINC000418836160 1192660534 /nfs/dbraw/zinc/66/05/34/1192660534.db2.gz QTBHWRJSFNABGF-IAGOWNOFSA-N 2 1 380.533 0.581 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccco1 ZINC000418836205 1192660870 /nfs/dbraw/zinc/66/08/70/1192660870.db2.gz QUKRJLODPJCEPC-JZXOWHBKSA-N 2 1 392.500 0.743 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCC1 ZINC000418836886 1192661169 /nfs/dbraw/zinc/66/11/69/1192661169.db2.gz RVBILBVERSLVSH-KRWDZBQOSA-N 2 1 380.533 0.771 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@@H](C)[C@H]([NH3+])C3)CC2)cs1 ZINC000418850531 1192665716 /nfs/dbraw/zinc/66/57/16/1192665716.db2.gz CPLAXKLVCHLJFU-CZUORRHYSA-N 2 1 393.557 0.839 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)[NH+](C)C ZINC000418848587 1192667439 /nfs/dbraw/zinc/66/74/39/1192667439.db2.gz LSEIEAOQUMRBLU-HPBDAGMYSA-N 2 1 388.512 1.000 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)[NH+](C)C ZINC000418848588 1192667570 /nfs/dbraw/zinc/66/75/70/1192667570.db2.gz LSEIEAOQUMRBLU-OWLYRPNTSA-N 2 1 388.512 1.000 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+](C)C ZINC000418857128 1192668919 /nfs/dbraw/zinc/66/89/19/1192668919.db2.gz YIZMMGTZOLTKDZ-INMHGKMJSA-N 2 1 376.501 0.857 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000418880949 1192678132 /nfs/dbraw/zinc/67/81/32/1192678132.db2.gz QDUCQWCOBVPDRZ-RBUKOAKNSA-N 2 1 388.512 0.503 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000418880947 1192678152 /nfs/dbraw/zinc/67/81/52/1192678152.db2.gz QDUCQWCOBVPDRZ-OALUTQOASA-N 2 1 388.512 0.503 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418878720 1192674757 /nfs/dbraw/zinc/67/47/57/1192674757.db2.gz MAODHKJUDBXURG-OALUTQOASA-N 2 1 390.528 0.701 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418875654 1192675307 /nfs/dbraw/zinc/67/53/07/1192675307.db2.gz DRXGNLNWNHZEHW-IPELMVKDSA-N 2 1 388.512 0.503 20 0 GCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418884171 1192679447 /nfs/dbraw/zinc/67/94/47/1192679447.db2.gz WGJXAMOZYZIJRS-OALUTQOASA-N 2 1 388.512 0.470 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000418913429 1192689967 /nfs/dbraw/zinc/68/99/67/1192689967.db2.gz DYPLHVYSYZOFQJ-OTWHNJEPSA-N 2 1 394.560 0.840 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418910651 1192687447 /nfs/dbraw/zinc/68/74/47/1192687447.db2.gz KFSGHVFFTZTMGG-QGZVFWFLSA-N 2 1 388.512 0.641 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418927323 1192693166 /nfs/dbraw/zinc/69/31/66/1192693166.db2.gz SOQCTASYYQTXTP-ZWKOTPCHSA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000418928730 1192693603 /nfs/dbraw/zinc/69/36/03/1192693603.db2.gz VMHOPHVLSAYZTJ-GOSISDBHSA-N 2 1 376.501 0.447 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000418913428 1192690273 /nfs/dbraw/zinc/69/02/73/1192690273.db2.gz DYPLHVYSYZOFQJ-IPMKNSEASA-N 2 1 394.560 0.840 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943407 1192696812 /nfs/dbraw/zinc/69/68/12/1192696812.db2.gz BRPNYBHWHNNGIE-ZBFHGGJFSA-N 2 1 392.500 0.509 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943407 1192696817 /nfs/dbraw/zinc/69/68/17/1192696817.db2.gz BRPNYBHWHNNGIE-ZBFHGGJFSA-N 2 1 392.500 0.509 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000418945192 1192697297 /nfs/dbraw/zinc/69/72/97/1192697297.db2.gz PCQAFBUYNOWFQY-GOSISDBHSA-N 2 1 399.499 0.149 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000418948850 1192699045 /nfs/dbraw/zinc/69/90/45/1192699045.db2.gz OVUKFKYSXABQLV-YQQAZPJKSA-N 2 1 376.501 0.852 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000418970558 1192707205 /nfs/dbraw/zinc/70/72/05/1192707205.db2.gz WSFBBTMQOXTIDG-CBVHJVASSA-N 2 1 388.512 0.856 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc(OC)c1 ZINC000418970552 1192707215 /nfs/dbraw/zinc/70/72/15/1192707215.db2.gz WRVZAFSJAVKXTK-MRXNPFEDSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc(OC)c1 ZINC000418970552 1192707221 /nfs/dbraw/zinc/70/72/21/1192707221.db2.gz WRVZAFSJAVKXTK-MRXNPFEDSA-N 2 1 390.484 0.344 20 0 GCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000418986416 1192709859 /nfs/dbraw/zinc/70/98/59/1192709859.db2.gz GKXGCUFHDQIADY-LJQANCHMSA-N 2 1 381.480 0.933 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000419013269 1192718685 /nfs/dbraw/zinc/71/86/85/1192718685.db2.gz ATKKKCLUNJVNTJ-MSOLQXFVSA-N 2 1 376.501 0.719 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000410571304 1192721914 /nfs/dbraw/zinc/72/19/14/1192721914.db2.gz JTQCUMAZEHVTBT-GOSISDBHSA-N 2 1 380.533 0.642 20 0 GCADMP CN1CC[NH+](Cc2ccc(CNC(=O)c3cn(C4CC[NH2+]CC4)nn3)cc2)CC1 ZINC000237089511 1192729272 /nfs/dbraw/zinc/72/92/72/1192729272.db2.gz DLEJQGFHYPYVQU-UHFFFAOYSA-N 2 1 397.527 0.880 20 0 GCADMP C[NH+]1CCN([C@@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c2ccccc2)CC1 ZINC000237228877 1192734687 /nfs/dbraw/zinc/73/46/87/1192734687.db2.gz GOWCRKWLZQBFSH-RTBURBONSA-N 2 1 387.528 0.289 20 0 GCADMP C[NH+]1CCN([C@H](C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c2ccccc2)CC1 ZINC000237230353 1192734789 /nfs/dbraw/zinc/73/47/89/1192734789.db2.gz GOWCRKWLZQBFSH-MOPGFXCFSA-N 2 1 387.528 0.289 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000419037590 1192735734 /nfs/dbraw/zinc/73/57/34/1192735734.db2.gz ISEOBXFLURUZNI-RCCFBDPRSA-N 2 1 382.549 0.840 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)nc(C)[nH+]1 ZINC000419043785 1192738722 /nfs/dbraw/zinc/73/87/22/1192738722.db2.gz RSQAUYZOTIWVEC-PBHICJAKSA-N 2 1 388.516 0.907 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])[C@@H](C)C1 ZINC000419042395 1192740110 /nfs/dbraw/zinc/74/01/10/1192740110.db2.gz OZBQCNWFHALHMY-XLAORIBOSA-N 2 1 382.549 0.968 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000419057736 1192751174 /nfs/dbraw/zinc/75/11/74/1192751174.db2.gz ORECFWSIIGTBBP-GUDVDZBRSA-N 2 1 388.512 0.447 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[NH2+]CC1 ZINC000419055414 1192751762 /nfs/dbraw/zinc/75/17/62/1192751762.db2.gz JNTFPFKNZCPSRG-RTBURBONSA-N 2 1 388.512 0.462 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000419057549 1192755123 /nfs/dbraw/zinc/75/51/23/1192755123.db2.gz AMAPYTOBVZBBMM-GJZGRUSLSA-N 2 1 388.512 0.910 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419064873 1192761486 /nfs/dbraw/zinc/76/14/86/1192761486.db2.gz CQLQJBIUPHYTMN-HZPDHXFCSA-N 2 1 376.501 0.495 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419064873 1192761490 /nfs/dbraw/zinc/76/14/90/1192761490.db2.gz CQLQJBIUPHYTMN-HZPDHXFCSA-N 2 1 376.501 0.495 20 0 GCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419067856 1192764225 /nfs/dbraw/zinc/76/42/25/1192764225.db2.gz GYXLEOLHCVWEGY-AWEZNQCLSA-N 2 1 381.908 0.432 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000410626360 1192770960 /nfs/dbraw/zinc/77/09/60/1192770960.db2.gz ZEAHWXIQFKXEFG-LMMKCTJWSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000410626360 1192770965 /nfs/dbraw/zinc/77/09/65/1192770965.db2.gz ZEAHWXIQFKXEFG-LMMKCTJWSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000410626360 1192770969 /nfs/dbraw/zinc/77/09/69/1192770969.db2.gz ZEAHWXIQFKXEFG-LMMKCTJWSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078354 1192775546 /nfs/dbraw/zinc/77/55/46/1192775546.db2.gz SOROXBLMEGPNKF-JTDSTZFVSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078354 1192775548 /nfs/dbraw/zinc/77/55/48/1192775548.db2.gz SOROXBLMEGPNKF-JTDSTZFVSA-N 2 1 388.512 0.719 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000419077774 1192776158 /nfs/dbraw/zinc/77/61/58/1192776158.db2.gz JRUABXYVGFMGES-IRXDYDNUSA-N 2 1 391.520 0.281 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CCO1 ZINC000419082315 1192777802 /nfs/dbraw/zinc/77/78/02/1192777802.db2.gz ZQKZJOWJWLZFGH-MRXNPFEDSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCC(C[NH3+])CC3)c2)CCO1 ZINC000419082315 1192777805 /nfs/dbraw/zinc/77/78/05/1192777805.db2.gz ZQKZJOWJWLZFGH-MRXNPFEDSA-N 2 1 388.512 0.721 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098724 1192785595 /nfs/dbraw/zinc/78/55/95/1192785595.db2.gz HGSKJJLCZGVBRI-PBHICJAKSA-N 2 1 380.439 0.737 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000419103234 1192791691 /nfs/dbraw/zinc/79/16/91/1192791691.db2.gz JNWOKQFOLIFNFS-GOSISDBHSA-N 2 1 390.528 0.756 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109321 1192790028 /nfs/dbraw/zinc/79/00/28/1192790028.db2.gz ATJCFYRRSOWDDN-JQHSSLGASA-N 2 1 382.549 0.825 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NCCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000419111524 1192791282 /nfs/dbraw/zinc/79/12/82/1192791282.db2.gz DGFLFKBGUYMIJN-SFHVURJKSA-N 2 1 380.533 0.666 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419120244 1192793818 /nfs/dbraw/zinc/79/38/18/1192793818.db2.gz PWSYZQMECCVTOD-MAUKXSAKSA-N 2 1 382.549 0.825 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419121014 1192794202 /nfs/dbraw/zinc/79/42/02/1192794202.db2.gz RDEKRKCAFJPOBH-JQHSSLGASA-N 2 1 382.549 0.825 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCN(C)CC1 ZINC000419128191 1192797877 /nfs/dbraw/zinc/79/78/77/1192797877.db2.gz VNHDPVLPYMVVQM-IBGZPJMESA-N 2 1 395.592 0.803 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000419116839 1192801824 /nfs/dbraw/zinc/80/18/24/1192801824.db2.gz LNQBYVHKCDUJML-NXHRZFHOSA-N 2 1 382.549 0.683 20 0 GCADMP COc1ccc(C[NH+]2CCC(CNC(=O)C(=O)NCC(F)(F)C[NH3+])CC2)cc1 ZINC000419141313 1192812750 /nfs/dbraw/zinc/81/27/50/1192812750.db2.gz WSEUPERHPQXKHX-UHFFFAOYSA-N 2 1 398.454 0.734 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419155677 1192816254 /nfs/dbraw/zinc/81/62/54/1192816254.db2.gz UFNXGCXUKBPQMQ-SIIHOXLZSA-N 2 1 392.450 0.879 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419167224 1192823337 /nfs/dbraw/zinc/82/33/37/1192823337.db2.gz IFMGXXTWNLIYFP-UFYCRDLUSA-N 2 1 384.524 0.735 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H](C)C[NH2+]1 ZINC000419172322 1192825803 /nfs/dbraw/zinc/82/58/03/1192825803.db2.gz YXUMGLOSRFJFJF-LMMKCTJWSA-N 2 1 388.512 0.603 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000419177689 1192829658 /nfs/dbraw/zinc/82/96/58/1192829658.db2.gz FBQIEZVVHUHVKJ-FGTMMUONSA-N 2 1 380.533 0.864 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000419197167 1192836819 /nfs/dbraw/zinc/83/68/19/1192836819.db2.gz XSOJDGXLBFSLAH-VQIMIIECSA-N 2 1 388.512 0.863 20 0 GCADMP CC(C)[C@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245862598 1192844970 /nfs/dbraw/zinc/84/49/70/1192844970.db2.gz RPGOCIBEXHKVLZ-QWFCFKBJSA-N 2 1 394.560 0.887 20 0 GCADMP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000410702672 1192845031 /nfs/dbraw/zinc/84/50/31/1192845031.db2.gz WYBUDARLKXDTPO-QZTJIDSGSA-N 2 1 380.533 0.356 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419203914 1192850096 /nfs/dbraw/zinc/85/00/96/1192850096.db2.gz OLGSCFGXWTZMEG-SJLPKXTDSA-N 2 1 376.501 0.589 20 0 GCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H]1C ZINC000410716111 1192847070 /nfs/dbraw/zinc/84/70/70/1192847070.db2.gz WEMKGKSXVBSEME-ZWKOTPCHSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H]1C ZINC000410716111 1192847076 /nfs/dbraw/zinc/84/70/76/1192847076.db2.gz WEMKGKSXVBSEME-ZWKOTPCHSA-N 2 1 394.560 0.888 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893742960 1192848004 /nfs/dbraw/zinc/84/80/04/1192848004.db2.gz NPJHTLDQKMTBGZ-HCXYKTFWSA-N 2 1 380.533 0.605 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419205571 1192852155 /nfs/dbraw/zinc/85/21/55/1192852155.db2.gz JGUMATPUNZCJSF-JQHSSLGASA-N 2 1 388.512 0.996 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410724707 1192854328 /nfs/dbraw/zinc/85/43/28/1192854328.db2.gz LNUUXRDLVPHCSX-ULQDDVLXSA-N 2 1 382.549 0.621 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410724707 1192854333 /nfs/dbraw/zinc/85/43/33/1192854333.db2.gz LNUUXRDLVPHCSX-ULQDDVLXSA-N 2 1 382.549 0.621 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410724707 1192854337 /nfs/dbraw/zinc/85/43/37/1192854337.db2.gz LNUUXRDLVPHCSX-ULQDDVLXSA-N 2 1 382.549 0.621 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410724707 1192854343 /nfs/dbraw/zinc/85/43/43/1192854343.db2.gz LNUUXRDLVPHCSX-ULQDDVLXSA-N 2 1 382.549 0.621 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C[C@@H]1C ZINC000410724707 1192854349 /nfs/dbraw/zinc/85/43/49/1192854349.db2.gz LNUUXRDLVPHCSX-ULQDDVLXSA-N 2 1 382.549 0.621 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)C[C@@H]3C)n2)[C@@H](C)C1 ZINC000893825232 1192864268 /nfs/dbraw/zinc/86/42/68/1192864268.db2.gz CUTLZNVEKVCWEQ-GJZGRUSLSA-N 2 1 375.521 0.636 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCOCC1 ZINC000549787201 1192883246 /nfs/dbraw/zinc/88/32/46/1192883246.db2.gz QHLSHDDPVXXXEW-QYZOEREBSA-N 2 1 394.560 0.935 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCOCC1 ZINC000549787201 1192883252 /nfs/dbraw/zinc/88/32/52/1192883252.db2.gz QHLSHDDPVXXXEW-QYZOEREBSA-N 2 1 394.560 0.935 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419210402 1192889264 /nfs/dbraw/zinc/88/92/64/1192889264.db2.gz QPUULSXPPUPOHL-BFHYXJOUSA-N 2 1 378.439 0.881 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419210402 1192889269 /nfs/dbraw/zinc/88/92/69/1192889269.db2.gz QPUULSXPPUPOHL-BFHYXJOUSA-N 2 1 378.439 0.881 20 0 GCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000410873601 1192911923 /nfs/dbraw/zinc/91/19/23/1192911923.db2.gz RFYIALHSRJJXIG-QGZVFWFLSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000419214983 1192915266 /nfs/dbraw/zinc/91/52/66/1192915266.db2.gz NNGIXTQZNCBNHI-FCEWJHQRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410938277 1192917534 /nfs/dbraw/zinc/91/75/34/1192917534.db2.gz NYEXIWILLMRUJU-INIZCTEOSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000410938277 1192917535 /nfs/dbraw/zinc/91/75/35/1192917535.db2.gz NYEXIWILLMRUJU-INIZCTEOSA-N 2 1 380.533 0.377 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)CC2)CC1 ZINC000663877086 1192917767 /nfs/dbraw/zinc/91/77/67/1192917767.db2.gz QRZSAOXTZLLJFV-FQEVSTJZSA-N 2 1 393.576 0.786 20 0 GCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410938150 1192917796 /nfs/dbraw/zinc/91/77/96/1192917796.db2.gz NJSDRYGUKOOPER-KRWDZBQOSA-N 2 1 396.576 0.870 20 0 GCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000410938150 1192917798 /nfs/dbraw/zinc/91/77/98/1192917798.db2.gz NJSDRYGUKOOPER-KRWDZBQOSA-N 2 1 396.576 0.870 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)C[C@H]1Cc1ccccc1 ZINC000410969048 1192921165 /nfs/dbraw/zinc/92/11/65/1192921165.db2.gz FINJJPVYGNADKB-AQNXPRMDSA-N 2 1 384.524 0.924 20 0 GCADMP CN1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C)[C@H](Cc4ccccc4)C3)[C@H]2C1 ZINC000410969048 1192921166 /nfs/dbraw/zinc/92/11/66/1192921166.db2.gz FINJJPVYGNADKB-AQNXPRMDSA-N 2 1 384.524 0.924 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000654730174 1184109694 /nfs/dbraw/zinc/10/96/94/1184109694.db2.gz MNONUMVAQYVSNR-FGTMMUONSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654730174 1184109698 /nfs/dbraw/zinc/10/96/98/1184109698.db2.gz MNONUMVAQYVSNR-FGTMMUONSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000654730174 1184109701 /nfs/dbraw/zinc/10/97/01/1184109701.db2.gz MNONUMVAQYVSNR-FGTMMUONSA-N 2 1 377.533 0.951 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)CC1 ZINC000654766436 1184128532 /nfs/dbraw/zinc/12/85/32/1184128532.db2.gz WBSWMUKVYJGRPB-UHFFFAOYSA-N 2 1 388.578 0.627 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643547099 1184165373 /nfs/dbraw/zinc/16/53/73/1184165373.db2.gz ZRTURPIBOYLZNN-WBVHZDCISA-N 2 1 394.560 0.527 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000643547099 1184165375 /nfs/dbraw/zinc/16/53/75/1184165375.db2.gz ZRTURPIBOYLZNN-WBVHZDCISA-N 2 1 394.560 0.527 20 0 GCADMP CCCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000557264643 1184214489 /nfs/dbraw/zinc/21/44/89/1184214489.db2.gz VELADNIVTALSJQ-UHFFFAOYSA-N 2 1 395.592 0.711 20 0 GCADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000643576919 1184256534 /nfs/dbraw/zinc/25/65/34/1184256534.db2.gz LVONKFDDHKEKQR-RBUKOAKNSA-N 2 1 387.528 0.068 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655468260 1184467186 /nfs/dbraw/zinc/46/71/86/1184467186.db2.gz YEINGYASEBAWMT-RXVVDRJESA-N 2 1 392.544 0.453 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000579931113 1184736774 /nfs/dbraw/zinc/73/67/74/1184736774.db2.gz DCTYTTRRMBPTIH-MJGOQNOKSA-N 2 1 375.517 0.875 20 0 GCADMP C[N@H+]1CC[C@H]2OCCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@H]2C1 ZINC000332767660 1184746119 /nfs/dbraw/zinc/74/61/19/1184746119.db2.gz GUJSRPFGPANXNF-RBUKOAKNSA-N 2 1 394.560 0.543 20 0 GCADMP C[NH+]1CCN([C@H](C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c2ccccc2)CC1 ZINC000579956548 1184824391 /nfs/dbraw/zinc/82/43/91/1184824391.db2.gz LYVWHBCGQFLYPH-PMACEKPBSA-N 2 1 397.527 0.889 20 0 GCADMP OC(CN1CCN(c2cc[nH+]cc2)CC1)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000683666899 1184870880 /nfs/dbraw/zinc/87/08/80/1184870880.db2.gz JPKATKNXKBKDNM-UHFFFAOYSA-N 2 1 382.512 0.782 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000579996606 1184895814 /nfs/dbraw/zinc/89/58/14/1184895814.db2.gz FBNFITLDXVRAOV-JFRXWTBNSA-N 2 1 394.560 0.717 20 0 GCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275675547 1184908925 /nfs/dbraw/zinc/90/89/25/1184908925.db2.gz KASNLXCCFRSNBG-HNNXBMFYSA-N 2 1 389.500 0.925 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275675547 1184908929 /nfs/dbraw/zinc/90/89/29/1184908929.db2.gz KASNLXCCFRSNBG-HNNXBMFYSA-N 2 1 389.500 0.925 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656027584 1184962666 /nfs/dbraw/zinc/96/26/66/1184962666.db2.gz DNOAJUHTZFRYGQ-AKHDSKFASA-N 2 1 392.544 0.864 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000118897943 1185037397 /nfs/dbraw/zinc/03/73/97/1185037397.db2.gz FAVXFDGTCRLBGQ-GOSISDBHSA-N 2 1 387.528 0.831 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000580062610 1185039278 /nfs/dbraw/zinc/03/92/78/1185039278.db2.gz GWQKKADSTWDKAC-NVXWUHKLSA-N 2 1 394.560 0.527 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC[N@H+]1CC(C)(C)O ZINC000580062610 1185039289 /nfs/dbraw/zinc/03/92/89/1185039289.db2.gz GWQKKADSTWDKAC-NVXWUHKLSA-N 2 1 394.560 0.527 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000580106127 1185065526 /nfs/dbraw/zinc/06/55/26/1185065526.db2.gz DFLPBGVEPNTMRW-IAGOWNOFSA-N 2 1 377.489 0.192 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000275801781 1185084117 /nfs/dbraw/zinc/08/41/17/1185084117.db2.gz DBXPONHKZLGJCY-MRXNPFEDSA-N 2 1 378.521 0.850 20 0 GCADMP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000580426164 1185228954 /nfs/dbraw/zinc/22/89/54/1185228954.db2.gz QTYODTHWHRCXFA-UHFFFAOYSA-N 2 1 396.576 0.776 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000275915135 1185272177 /nfs/dbraw/zinc/27/21/77/1185272177.db2.gz WBANKUUINNIEQW-UHFFFAOYSA-N 2 1 375.473 0.726 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000580569624 1185278091 /nfs/dbraw/zinc/27/80/91/1185278091.db2.gz YINMLKOFYPLYIM-INIZCTEOSA-N 2 1 376.505 0.021 20 0 GCADMP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)ccc21 ZINC000684025867 1185306309 /nfs/dbraw/zinc/30/63/09/1185306309.db2.gz MQAHBTZNUQKVKS-INIZCTEOSA-N 2 1 399.495 0.429 20 0 GCADMP CN1C(=O)Cc2cc(NC(=O)C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)ccc21 ZINC000684025867 1185306317 /nfs/dbraw/zinc/30/63/17/1185306317.db2.gz MQAHBTZNUQKVKS-INIZCTEOSA-N 2 1 399.495 0.429 20 0 GCADMP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000580723060 1185315813 /nfs/dbraw/zinc/31/58/13/1185315813.db2.gz OGDFCGCWTZDGEY-UHFFFAOYSA-N 2 1 393.576 0.415 20 0 GCADMP CN(C(=O)C[N@H+]1CCC(C)(C)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000580723060 1185315820 /nfs/dbraw/zinc/31/58/20/1185315820.db2.gz OGDFCGCWTZDGEY-UHFFFAOYSA-N 2 1 393.576 0.415 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000580737289 1185320602 /nfs/dbraw/zinc/32/06/02/1185320602.db2.gz PMCAXUQLCVLVFL-OALUTQOASA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943585 1185329460 /nfs/dbraw/zinc/32/94/60/1185329460.db2.gz DNWAEMCDTANCGJ-WMLDXEAASA-N 2 1 389.500 0.924 20 0 GCADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275943585 1185329467 /nfs/dbraw/zinc/32/94/67/1185329467.db2.gz DNWAEMCDTANCGJ-WMLDXEAASA-N 2 1 389.500 0.924 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCN(C)CC1 ZINC000656299956 1185366172 /nfs/dbraw/zinc/36/61/72/1185366172.db2.gz FZGUJXYBQONPQO-KURKYZTESA-N 2 1 379.549 0.119 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656300664 1185367838 /nfs/dbraw/zinc/36/78/38/1185367838.db2.gz SHHXXVFJSJPPKN-CEXWTWQISA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656300664 1185367848 /nfs/dbraw/zinc/36/78/48/1185367848.db2.gz SHHXXVFJSJPPKN-CEXWTWQISA-N 2 1 393.576 0.509 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656300664 1185367855 /nfs/dbraw/zinc/36/78/55/1185367855.db2.gz SHHXXVFJSJPPKN-CEXWTWQISA-N 2 1 393.576 0.509 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656312107 1185389642 /nfs/dbraw/zinc/38/96/42/1185389642.db2.gz SKQAUXPDZAYVBA-MSOLQXFVSA-N 2 1 392.544 0.881 20 0 GCADMP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419356797 1185442878 /nfs/dbraw/zinc/44/28/78/1185442878.db2.gz NLRXBHMLLYYOIO-IRXDYDNUSA-N 2 1 388.516 0.096 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656353380 1185447109 /nfs/dbraw/zinc/44/71/09/1185447109.db2.gz ANRYNDQYNAJILU-MSOLQXFVSA-N 2 1 380.533 0.689 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656357284 1185453420 /nfs/dbraw/zinc/45/34/20/1185453420.db2.gz YPJBSKQOSITGKY-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656357284 1185453422 /nfs/dbraw/zinc/45/34/22/1185453422.db2.gz YPJBSKQOSITGKY-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CC(C)(C)O ZINC000656355728 1185454042 /nfs/dbraw/zinc/45/40/42/1185454042.db2.gz NLAXBGAVWUCLSV-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@H+]1CC(C)(C)O ZINC000656355728 1185454045 /nfs/dbraw/zinc/45/40/45/1185454045.db2.gz NLAXBGAVWUCLSV-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000656355728 1185454047 /nfs/dbraw/zinc/45/40/47/1185454047.db2.gz NLAXBGAVWUCLSV-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC[NH+]1CC(C)(C)O ZINC000656355728 1185454050 /nfs/dbraw/zinc/45/40/50/1185454050.db2.gz NLAXBGAVWUCLSV-IKGGRYGDSA-N 2 1 380.533 0.423 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000656356879 1185456482 /nfs/dbraw/zinc/45/64/82/1185456482.db2.gz HUZHPNAHEBGSSR-IPMKNSEASA-N 2 1 392.544 0.690 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356462 1185457149 /nfs/dbraw/zinc/45/71/49/1185457149.db2.gz DMTIKFPNOMEVQD-YTQUADARSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356462 1185457154 /nfs/dbraw/zinc/45/71/54/1185457154.db2.gz DMTIKFPNOMEVQD-YTQUADARSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356462 1185457163 /nfs/dbraw/zinc/45/71/63/1185457163.db2.gz DMTIKFPNOMEVQD-YTQUADARSA-N 2 1 392.544 0.831 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000581062894 1185482808 /nfs/dbraw/zinc/48/28/08/1185482808.db2.gz QXOSAPUMCROVNN-KRWDZBQOSA-N 2 1 381.565 0.223 20 0 GCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000581062894 1185482812 /nfs/dbraw/zinc/48/28/12/1185482812.db2.gz QXOSAPUMCROVNN-KRWDZBQOSA-N 2 1 381.565 0.223 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000581062894 1185482816 /nfs/dbraw/zinc/48/28/16/1185482816.db2.gz QXOSAPUMCROVNN-KRWDZBQOSA-N 2 1 381.565 0.223 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133163 1185509766 /nfs/dbraw/zinc/50/97/66/1185509766.db2.gz ZDEHFEBDGNRYBH-ZWKOTPCHSA-N 3 1 375.517 0.192 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133163 1185509771 /nfs/dbraw/zinc/50/97/71/1185509771.db2.gz ZDEHFEBDGNRYBH-ZWKOTPCHSA-N 2 1 375.517 0.192 20 0 GCADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(=O)NC[C@H]3C[N@@H+](C)CCN3C)C2)CC1 ZINC000558216920 1185531403 /nfs/dbraw/zinc/53/14/03/1185531403.db2.gz JPPYDNZZDQGZTC-OALUTQOASA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(OC)ncn1 ZINC000276073530 1185547215 /nfs/dbraw/zinc/54/72/15/1185547215.db2.gz SVRNXCDOXGNEEA-AWEZNQCLSA-N 2 1 378.477 0.298 20 0 GCADMP CCc1nn(C)cc1NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000276096685 1185569517 /nfs/dbraw/zinc/56/95/17/1185569517.db2.gz VVAJPWWRBSVJEI-OAHLLOKOSA-N 2 1 378.521 0.796 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581299809 1185573837 /nfs/dbraw/zinc/57/38/37/1185573837.db2.gz HXCFXTHZPYTMSU-SJORKVTESA-N 2 1 377.533 0.857 20 0 GCADMP CN(C)S(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430555898 1185585222 /nfs/dbraw/zinc/58/52/22/1185585222.db2.gz JLONUOABLPOQRE-UHFFFAOYSA-N 2 1 398.529 0.705 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000581313514 1185586410 /nfs/dbraw/zinc/58/64/10/1185586410.db2.gz IRMHWWRZWMJFCU-USXIJHARSA-N 2 1 398.515 0.071 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562075 1185606018 /nfs/dbraw/zinc/60/60/18/1185606018.db2.gz CHSZLABHLAQITL-GJZGRUSLSA-N 2 1 386.504 0.071 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562075 1185606022 /nfs/dbraw/zinc/60/60/22/1185606022.db2.gz CHSZLABHLAQITL-GJZGRUSLSA-N 2 1 386.504 0.071 20 0 GCADMP CCc1nnc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1C ZINC001104345488 1185612795 /nfs/dbraw/zinc/61/27/95/1185612795.db2.gz IWFKHKZTCNGTJP-QBPKDAKJSA-N 2 1 392.548 0.671 20 0 GCADMP CCn1nc(C)c(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104346799 1185618377 /nfs/dbraw/zinc/61/83/77/1185618377.db2.gz JSCMAQHPWJOIOC-FXRXJOCMSA-N 2 1 392.548 0.900 20 0 GCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346972 1185619549 /nfs/dbraw/zinc/61/95/49/1185619549.db2.gz NUZDROALXBIZFT-BRSBDYLESA-N 2 1 382.549 0.696 20 0 GCADMP CCCCNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346972 1185619552 /nfs/dbraw/zinc/61/95/52/1185619552.db2.gz NUZDROALXBIZFT-BRSBDYLESA-N 2 1 382.549 0.696 20 0 GCADMP CC[NH2+]CC1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000430586263 1185646100 /nfs/dbraw/zinc/64/61/00/1185646100.db2.gz SIUPZFXRBWPYIO-UHFFFAOYSA-N 2 1 380.514 0.545 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590205 1185651292 /nfs/dbraw/zinc/65/12/92/1185651292.db2.gz BSVUJTRRJSZHNU-DLBZAZTESA-N 2 1 394.541 0.579 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590205 1185651295 /nfs/dbraw/zinc/65/12/95/1185651295.db2.gz BSVUJTRRJSZHNU-DLBZAZTESA-N 2 1 394.541 0.579 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595216 1185667424 /nfs/dbraw/zinc/66/74/24/1185667424.db2.gz HMZAFDBOAQGDOT-ZBFHGGJFSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000581420010 1185668194 /nfs/dbraw/zinc/66/81/94/1185668194.db2.gz MJLRGXVSBFJQDC-VXNCWWDNSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000581420010 1185668201 /nfs/dbraw/zinc/66/82/01/1185668201.db2.gz MJLRGXVSBFJQDC-VXNCWWDNSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000581420011 1185668562 /nfs/dbraw/zinc/66/85/62/1185668562.db2.gz MJLRGXVSBFJQDC-ZMMAXQRCSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000581420011 1185668565 /nfs/dbraw/zinc/66/85/65/1185668565.db2.gz MJLRGXVSBFJQDC-ZMMAXQRCSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000581420011 1185668570 /nfs/dbraw/zinc/66/85/70/1185668570.db2.gz MJLRGXVSBFJQDC-ZMMAXQRCSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000581420011 1185668574 /nfs/dbraw/zinc/66/85/74/1185668574.db2.gz MJLRGXVSBFJQDC-ZMMAXQRCSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430598346 1185677440 /nfs/dbraw/zinc/67/74/40/1185677440.db2.gz CTROUHJSVSBUIS-QZTJIDSGSA-N 2 1 387.528 0.511 20 0 GCADMP COc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000430599336 1185680336 /nfs/dbraw/zinc/68/03/36/1185680336.db2.gz AHVGPSBULGSNRW-ZDUSSCGKSA-N 2 1 394.472 0.438 20 0 GCADMP COc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(OC)c1OC ZINC000430599336 1185680339 /nfs/dbraw/zinc/68/03/39/1185680339.db2.gz AHVGPSBULGSNRW-ZDUSSCGKSA-N 2 1 394.472 0.438 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000430602665 1185686473 /nfs/dbraw/zinc/68/64/73/1185686473.db2.gz HPUFOAVUXJBNRB-HNNXBMFYSA-N 2 1 388.468 0.540 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCCO2 ZINC000430602665 1185686475 /nfs/dbraw/zinc/68/64/75/1185686475.db2.gz HPUFOAVUXJBNRB-HNNXBMFYSA-N 2 1 388.468 0.540 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000581425681 1185686988 /nfs/dbraw/zinc/68/69/88/1185686988.db2.gz UTKLHZOLXOCCBQ-FQEVSTJZSA-N 2 1 380.533 0.500 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000581425681 1185686992 /nfs/dbraw/zinc/68/69/92/1185686992.db2.gz UTKLHZOLXOCCBQ-FQEVSTJZSA-N 2 1 380.533 0.500 20 0 GCADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000581434305 1185688787 /nfs/dbraw/zinc/68/87/87/1185688787.db2.gz QRJLSWLGFZLGRV-NRFANRHFSA-N 3 1 376.545 0.917 20 0 GCADMP C[NH2+]C[C@](C)(O)CN1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000581434305 1185688793 /nfs/dbraw/zinc/68/87/93/1185688793.db2.gz QRJLSWLGFZLGRV-NRFANRHFSA-N 2 1 376.545 0.917 20 0 GCADMP C[NH2+]C[C@](C)(O)CN1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000581434305 1185688796 /nfs/dbraw/zinc/68/87/96/1185688796.db2.gz QRJLSWLGFZLGRV-NRFANRHFSA-N 2 1 376.545 0.917 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)C1CC1 ZINC000581440820 1185691541 /nfs/dbraw/zinc/69/15/41/1185691541.db2.gz SDQAKJPXTLWPPI-GBESFXJTSA-N 2 1 385.512 0.850 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000072067275 1185699450 /nfs/dbraw/zinc/69/94/50/1185699450.db2.gz PZTZCJCUKPURAD-INIZCTEOSA-N 2 1 382.530 0.822 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891414154 1185722978 /nfs/dbraw/zinc/72/29/78/1185722978.db2.gz GHCKHBXTUWASLW-HMDCTGQHSA-N 2 1 379.505 0.683 20 0 GCADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607452 1185729424 /nfs/dbraw/zinc/72/94/24/1185729424.db2.gz CFXJUAFYDBKLIT-CVEARBPZSA-N 2 1 393.532 0.677 20 0 GCADMP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000581538275 1185749773 /nfs/dbraw/zinc/74/97/73/1185749773.db2.gz NOVGJUQPMUGTDL-LJQANCHMSA-N 2 1 387.528 0.897 20 0 GCADMP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1 ZINC000581538274 1185750080 /nfs/dbraw/zinc/75/00/80/1185750080.db2.gz NOVGJUQPMUGTDL-IBGZPJMESA-N 2 1 387.528 0.897 20 0 GCADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609594 1185752350 /nfs/dbraw/zinc/75/23/50/1185752350.db2.gz HQJLIQNYECLHTO-STQMWFEESA-N 2 1 379.436 0.649 20 0 GCADMP CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)NC[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350463 1185755777 /nfs/dbraw/zinc/75/57/77/1185755777.db2.gz HRQVFYGOFIBWSO-HZPDHXFCSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)NC[C@H]3CCC[NH+]3C)C2)cc(=O)[nH]1 ZINC000276350463 1185755779 /nfs/dbraw/zinc/75/57/79/1185755779.db2.gz HRQVFYGOFIBWSO-HZPDHXFCSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)C2)cc(=O)[nH]1 ZINC000276350463 1185755781 /nfs/dbraw/zinc/75/57/81/1185755781.db2.gz HRQVFYGOFIBWSO-HZPDHXFCSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[NH+](C)[C@@H]2CCN(C(=O)NC[C@H]3CCC[N@H+]3C)C2)cc(=O)[nH]1 ZINC000276350463 1185755787 /nfs/dbraw/zinc/75/57/87/1185755787.db2.gz HRQVFYGOFIBWSO-HZPDHXFCSA-N 2 1 391.520 0.558 20 0 GCADMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430611704 1185758312 /nfs/dbraw/zinc/75/83/12/1185758312.db2.gz PPSGYXNNZZIGIA-KGLIPLIRSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430612404 1185765637 /nfs/dbraw/zinc/76/56/37/1185765637.db2.gz REUVRTDWNQWTGQ-INIZCTEOSA-N 2 1 392.500 0.449 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@H]32)O1 ZINC001022017254 1185769760 /nfs/dbraw/zinc/76/97/60/1185769760.db2.gz FEURGQHEDIEWBB-YYIAUSFCSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)O1 ZINC001022017146 1185770589 /nfs/dbraw/zinc/77/05/89/1185770589.db2.gz CFKPTERQJGHGBR-QXCFHYIPSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)O1 ZINC001022017146 1185770595 /nfs/dbraw/zinc/77/05/95/1185770595.db2.gz CFKPTERQJGHGBR-QXCFHYIPSA-N 2 1 392.544 0.497 20 0 GCADMP Cc1cccc(N2CCN(C(=O)C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)CC2)c1 ZINC000430614346 1185774249 /nfs/dbraw/zinc/77/42/49/1185774249.db2.gz YHVJCNHTASCWOQ-SFHVURJKSA-N 2 1 387.528 0.431 20 0 GCADMP CN(C)S(=O)(=O)c1cccc(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430615591 1185778583 /nfs/dbraw/zinc/77/85/83/1185778583.db2.gz CJFBUDBVODXETK-KRWDZBQOSA-N 2 1 394.541 0.581 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581597869 1185780674 /nfs/dbraw/zinc/78/06/74/1185780674.db2.gz IEVJWFOLXDHOGG-BHIYHBOVSA-N 2 1 387.528 0.115 20 0 GCADMP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc1 ZINC000276381321 1185781591 /nfs/dbraw/zinc/78/15/91/1185781591.db2.gz OHBJFYQTGKVCCO-GOSISDBHSA-N 2 1 375.517 0.829 20 0 GCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430615231 1185782751 /nfs/dbraw/zinc/78/27/51/1185782751.db2.gz BGVZIMCTUMPHDY-GJZGRUSLSA-N 2 1 392.500 0.668 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000581634413 1185799391 /nfs/dbraw/zinc/79/93/91/1185799391.db2.gz NEUCZLQTDUFFLH-MRXNPFEDSA-N 2 1 380.533 0.570 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000581634413 1185799393 /nfs/dbraw/zinc/79/93/93/1185799393.db2.gz NEUCZLQTDUFFLH-MRXNPFEDSA-N 2 1 380.533 0.570 20 0 GCADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623852 1185806066 /nfs/dbraw/zinc/80/60/66/1185806066.db2.gz NOJAHKDQNDNFGO-ZIAGYGMSSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623852 1185806075 /nfs/dbraw/zinc/80/60/75/1185806075.db2.gz NOJAHKDQNDNFGO-ZIAGYGMSSA-N 2 1 378.473 0.818 20 0 GCADMP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430629483 1185817571 /nfs/dbraw/zinc/81/75/71/1185817571.db2.gz QFBGGCXSUBFRAH-QGZVFWFLSA-N 2 1 376.501 0.585 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1ccc(F)cc1 ZINC000430632678 1185822573 /nfs/dbraw/zinc/82/25/73/1185822573.db2.gz ZAPYDTANZAFCHY-INIZCTEOSA-N 2 1 392.475 0.465 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc2c(c1)OCO2 ZINC000430636479 1185834849 /nfs/dbraw/zinc/83/48/49/1185834849.db2.gz JHQLDCQUGNGUAL-INIZCTEOSA-N 2 1 388.468 0.175 20 0 GCADMP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000430640705 1185843377 /nfs/dbraw/zinc/84/33/77/1185843377.db2.gz HQZKQNBBMUCWGA-OAHLLOKOSA-N 2 1 375.473 0.738 20 0 GCADMP COc1ccccc1CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642203 1185854678 /nfs/dbraw/zinc/85/46/78/1185854678.db2.gz ODQPKYJHWOPUCC-GOSISDBHSA-N 2 1 388.512 0.498 20 0 GCADMP COc1ccccc1N1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642394 1185854909 /nfs/dbraw/zinc/85/49/09/1185854909.db2.gz KECOPALFPDDIKA-SJLPKXTDSA-N 2 1 386.496 0.944 20 0 GCADMP O=C([C@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430644828 1185857593 /nfs/dbraw/zinc/85/75/93/1185857593.db2.gz ZIFDNYANNDCWCU-KRWDZBQOSA-N 2 1 379.526 0.994 20 0 GCADMP O=C([C@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430644828 1185857596 /nfs/dbraw/zinc/85/75/96/1185857596.db2.gz ZIFDNYANNDCWCU-KRWDZBQOSA-N 2 1 379.526 0.994 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCC1(c2ccccc2)CC1 ZINC000430646129 1185861447 /nfs/dbraw/zinc/86/14/47/1185861447.db2.gz DJPLISDQZVJXOU-GOSISDBHSA-N 2 1 384.524 0.978 20 0 GCADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000581734417 1185871005 /nfs/dbraw/zinc/87/10/05/1185871005.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000581734417 1185871012 /nfs/dbraw/zinc/87/10/12/1185871012.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@H]2C)[C@H](C)CN1CCO ZINC000581734417 1185871025 /nfs/dbraw/zinc/87/10/25/1185871025.db2.gz KSRVESPIMXGLKG-NCYKPQTJSA-N 2 1 384.609 0.931 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891483488 1185887416 /nfs/dbraw/zinc/88/74/16/1185887416.db2.gz QJMXKGGCZLWFDW-ZIAGYGMSSA-N 2 1 375.464 0.473 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484809 1185888219 /nfs/dbraw/zinc/88/82/19/1185888219.db2.gz YDLXDBQEJHTVLN-IAGOWNOFSA-N 2 1 395.548 0.387 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891563292 1185921671 /nfs/dbraw/zinc/92/16/71/1185921671.db2.gz COPJBOHYYWNLFH-AZUAARDMSA-N 2 1 379.549 0.568 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC000891567082 1185922461 /nfs/dbraw/zinc/92/24/61/1185922461.db2.gz VKBGPMIIIDTDMJ-KFWWJZLASA-N 2 1 393.454 0.172 20 0 GCADMP C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CC(=O)N1CCN(C)CC1 ZINC000548275345 1185927858 /nfs/dbraw/zinc/92/78/58/1185927858.db2.gz WMUZSHIEWJBXFV-MRXNPFEDSA-N 2 1 394.541 0.993 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CCN4CCOCC4)[C@@H]3C2)CC[N@H+]1C ZINC001022161436 1185936568 /nfs/dbraw/zinc/93/65/68/1185936568.db2.gz GSESPYQHFMJFGK-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@@H+]1C ZINC001022161436 1185936570 /nfs/dbraw/zinc/93/65/70/1185936570.db2.gz GSESPYQHFMJFGK-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@H+]1C ZINC001022161436 1185936571 /nfs/dbraw/zinc/93/65/71/1185936571.db2.gz GSESPYQHFMJFGK-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670070 1185964121 /nfs/dbraw/zinc/96/41/21/1185964121.db2.gz NISFWHYVANVISW-HZMVEIRTSA-N 2 1 379.505 0.541 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581933917 1185994375 /nfs/dbraw/zinc/99/43/75/1185994375.db2.gz HRHYJICMNYONJQ-AEFFLSMTSA-N 2 1 390.528 0.835 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581933917 1185994377 /nfs/dbraw/zinc/99/43/77/1185994377.db2.gz HRHYJICMNYONJQ-AEFFLSMTSA-N 2 1 390.528 0.835 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581933918 1185994842 /nfs/dbraw/zinc/99/48/42/1185994842.db2.gz HRHYJICMNYONJQ-FUHWJXTLSA-N 2 1 390.528 0.835 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581933918 1185994843 /nfs/dbraw/zinc/99/48/43/1185994843.db2.gz HRHYJICMNYONJQ-FUHWJXTLSA-N 2 1 390.528 0.835 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751542 1186008651 /nfs/dbraw/zinc/00/86/51/1186008651.db2.gz ADEMADRMJQHNMD-QRVBRYPASA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751542 1186008655 /nfs/dbraw/zinc/00/86/55/1186008655.db2.gz ADEMADRMJQHNMD-QRVBRYPASA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751539 1186008972 /nfs/dbraw/zinc/00/89/72/1186008972.db2.gz ADEMADRMJQHNMD-OTWHNJEPSA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751539 1186008975 /nfs/dbraw/zinc/00/89/75/1186008975.db2.gz ADEMADRMJQHNMD-OTWHNJEPSA-N 2 1 381.565 0.499 20 0 GCADMP COCC[C@@]1(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000430761258 1186026576 /nfs/dbraw/zinc/02/65/76/1186026576.db2.gz UQWFOJUNCXKQRO-NRFANRHFSA-N 2 1 388.512 0.707 20 0 GCADMP COCC[C@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000430803975 1186032693 /nfs/dbraw/zinc/03/26/93/1186032693.db2.gz BHYCCXHXCHMYKY-FXAWDEMLSA-N 2 1 375.517 0.725 20 0 GCADMP C[C@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@@H]([NH3+])c1ccccc1 ZINC000430862386 1186041077 /nfs/dbraw/zinc/04/10/77/1186041077.db2.gz DPDHCPLKLNZMBN-HNAYVOBHSA-N 2 1 384.484 0.932 20 0 GCADMP CC[C@@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000562947782 1186068590 /nfs/dbraw/zinc/06/85/90/1186068590.db2.gz SBBTYGZWVZVIIJ-QZTJIDSGSA-N 2 1 380.533 0.642 20 0 GCADMP CC[C@H](C)[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000562947786 1186068709 /nfs/dbraw/zinc/06/87/09/1186068709.db2.gz SBBTYGZWVZVIIJ-ZWKOTPCHSA-N 2 1 380.533 0.642 20 0 GCADMP COc1ccccc1[C@H](N)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000431018812 1186104159 /nfs/dbraw/zinc/10/41/59/1186104159.db2.gz YCDNTBYFAKIVEI-PXNSSMCTSA-N 2 1 390.528 0.948 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276840316 1186114951 /nfs/dbraw/zinc/11/49/51/1186114951.db2.gz IRNHMDLHMNNNMS-NVXWUHKLSA-N 2 1 376.505 0.480 20 0 GCADMP CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001087181279 1186117588 /nfs/dbraw/zinc/11/75/88/1186117588.db2.gz KNASQAMDCBQMOJ-XLMAVXFVSA-N 2 1 378.521 0.734 20 0 GCADMP CCn1nncc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001087181279 1186117592 /nfs/dbraw/zinc/11/75/92/1186117592.db2.gz KNASQAMDCBQMOJ-XLMAVXFVSA-N 2 1 378.521 0.734 20 0 GCADMP C[N@@H+]1C[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000891879462 1186119180 /nfs/dbraw/zinc/11/91/80/1186119180.db2.gz RXPOTHXCJPXZKG-MOPGFXCFSA-N 2 1 387.528 0.795 20 0 GCADMP C[N@H+]1C[C@@H](CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000891879462 1186119190 /nfs/dbraw/zinc/11/91/90/1186119190.db2.gz RXPOTHXCJPXZKG-MOPGFXCFSA-N 2 1 387.528 0.795 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[N@@H+]1CCO ZINC000458215422 1186216626 /nfs/dbraw/zinc/21/66/26/1186216626.db2.gz KPBPBERRORWQOU-IXDOHACOSA-N 2 1 383.537 0.026 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[NH+]1CCO ZINC000458215422 1186216631 /nfs/dbraw/zinc/21/66/31/1186216631.db2.gz KPBPBERRORWQOU-IXDOHACOSA-N 2 1 383.537 0.026 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)[NH+]1CCO ZINC000458215422 1186216635 /nfs/dbraw/zinc/21/66/35/1186216635.db2.gz KPBPBERRORWQOU-IXDOHACOSA-N 2 1 383.537 0.026 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458229846 1186219178 /nfs/dbraw/zinc/21/91/78/1186219178.db2.gz QUSLTXCIKZQWND-DLBZAZTESA-N 2 1 383.537 0.075 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458229846 1186219184 /nfs/dbraw/zinc/21/91/84/1186219184.db2.gz QUSLTXCIKZQWND-DLBZAZTESA-N 2 1 383.537 0.075 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458229862 1186219429 /nfs/dbraw/zinc/21/94/29/1186219429.db2.gz QUSLTXCIKZQWND-SJORKVTESA-N 2 1 383.537 0.075 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458229862 1186219436 /nfs/dbraw/zinc/21/94/36/1186219436.db2.gz QUSLTXCIKZQWND-SJORKVTESA-N 2 1 383.537 0.075 20 0 GCADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CC=CCC1 ZINC001707907000 1186242731 /nfs/dbraw/zinc/24/27/31/1186242731.db2.gz QNNVMFHSMMECHO-GOSISDBHSA-N 2 1 387.532 0.591 20 0 GCADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001707907000 1186242733 /nfs/dbraw/zinc/24/27/33/1186242733.db2.gz QNNVMFHSMMECHO-GOSISDBHSA-N 2 1 387.532 0.591 20 0 GCADMP Cc1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001707907000 1186242737 /nfs/dbraw/zinc/24/27/37/1186242737.db2.gz QNNVMFHSMMECHO-GOSISDBHSA-N 2 1 387.532 0.591 20 0 GCADMP C[C@@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)CN1CC[NH+](C)CC1 ZINC000431297971 1186329217 /nfs/dbraw/zinc/32/92/17/1186329217.db2.gz IKHIHBADWGDUKE-SFHVURJKSA-N 2 1 396.580 0.161 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000582017984 1186371787 /nfs/dbraw/zinc/37/17/87/1186371787.db2.gz NDQMTMYPHPMKOA-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000582017984 1186371790 /nfs/dbraw/zinc/37/17/90/1186371790.db2.gz NDQMTMYPHPMKOA-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP OCCN1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261306 1186389055 /nfs/dbraw/zinc/38/90/55/1186389055.db2.gz DZURJUHNFVDESR-CZYKHXBRSA-N 2 1 394.604 0.829 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@H]1CCN2C/C=C/CN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264656 1186391879 /nfs/dbraw/zinc/39/18/79/1186391879.db2.gz UPHMGKMWQXEGMP-QPXNDOLGSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C/CN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934264656 1186391882 /nfs/dbraw/zinc/39/18/82/1186391882.db2.gz UPHMGKMWQXEGMP-QPXNDOLGSA-N 2 1 392.588 0.605 20 0 GCADMP OCC[NH+]1CCC[C@@H]2[C@@H]1CCN2C/C=C/CN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934264656 1186391884 /nfs/dbraw/zinc/39/18/84/1186391884.db2.gz UPHMGKMWQXEGMP-QPXNDOLGSA-N 2 1 392.588 0.605 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000152127682 1186402805 /nfs/dbraw/zinc/40/28/05/1186402805.db2.gz YLCIVVORGUHHGJ-KRWDZBQOSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000582206789 1186464950 /nfs/dbraw/zinc/46/49/50/1186464950.db2.gz WBHRZCQYJBIECE-HZPDHXFCSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[N@H+]1C1CC1 ZINC000582206787 1186465182 /nfs/dbraw/zinc/46/51/82/1186465182.db2.gz WBHRZCQYJBIECE-CVEARBPZSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231728 1186475530 /nfs/dbraw/zinc/47/55/30/1186475530.db2.gz BFVAERSBBDMXFZ-BPXZUEPWSA-N 2 1 395.504 0.061 20 0 GCADMP C[C@H](CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231728 1186475534 /nfs/dbraw/zinc/47/55/34/1186475534.db2.gz BFVAERSBBDMXFZ-BPXZUEPWSA-N 2 1 395.504 0.061 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000582263769 1186479395 /nfs/dbraw/zinc/47/93/95/1186479395.db2.gz IPPJFSZVZNZQNV-JQHSSLGASA-N 2 1 380.533 0.281 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235137 1186480771 /nfs/dbraw/zinc/48/07/71/1186480771.db2.gz FBJGICJEBAKLSJ-UUAJXVIYSA-N 2 1 377.489 0.580 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000892235133 1186480780 /nfs/dbraw/zinc/48/07/80/1186480780.db2.gz FBJGICJEBAKLSJ-UTSKFRMZSA-N 2 1 377.489 0.580 20 0 GCADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)COCC(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000684864582 1186526052 /nfs/dbraw/zinc/52/60/52/1186526052.db2.gz LXHWWJBWZXALHE-HDICACEKSA-N 2 1 382.549 0.888 20 0 GCADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)COCC(=O)N1CCC[NH+](C)C[C@@H]1CC ZINC000684864582 1186526055 /nfs/dbraw/zinc/52/60/55/1186526055.db2.gz LXHWWJBWZXALHE-HDICACEKSA-N 2 1 382.549 0.888 20 0 GCADMP CC[C@@H]1C[N@H+](C)CCCN1C(=O)COCC(=O)N1CCC[NH+](C)C[C@@H]1CC ZINC000684864582 1186526057 /nfs/dbraw/zinc/52/60/57/1186526057.db2.gz LXHWWJBWZXALHE-HDICACEKSA-N 2 1 382.549 0.888 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000560008248 1186527348 /nfs/dbraw/zinc/52/73/48/1186527348.db2.gz HMGGBZDRMYLIJU-CEXWTWQISA-N 2 1 395.592 0.707 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC000560008248 1186527351 /nfs/dbraw/zinc/52/73/51/1186527351.db2.gz HMGGBZDRMYLIJU-CEXWTWQISA-N 2 1 395.592 0.707 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000560008248 1186527354 /nfs/dbraw/zinc/52/73/54/1186527354.db2.gz HMGGBZDRMYLIJU-CEXWTWQISA-N 2 1 395.592 0.707 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000582434372 1186531032 /nfs/dbraw/zinc/53/10/32/1186531032.db2.gz RVDVSUGTGLEEEB-XDNAFOTISA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000582434372 1186531035 /nfs/dbraw/zinc/53/10/35/1186531035.db2.gz RVDVSUGTGLEEEB-XDNAFOTISA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000582434372 1186531039 /nfs/dbraw/zinc/53/10/39/1186531039.db2.gz RVDVSUGTGLEEEB-XDNAFOTISA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@H](C)O1 ZINC000582434372 1186531041 /nfs/dbraw/zinc/53/10/41/1186531041.db2.gz RVDVSUGTGLEEEB-XDNAFOTISA-N 2 1 394.560 0.933 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@@H](CC(=O)OC)C3)CC2)CC1 ZINC000563384030 1186559474 /nfs/dbraw/zinc/55/94/74/1186559474.db2.gz RXXGQDDGHDUMRL-SFHVURJKSA-N 2 1 381.517 0.973 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000582627997 1186590814 /nfs/dbraw/zinc/59/08/14/1186590814.db2.gz MTMJYEWACWWRBN-BZSNNMDCSA-N 2 1 380.533 0.279 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000582627997 1186590817 /nfs/dbraw/zinc/59/08/17/1186590817.db2.gz MTMJYEWACWWRBN-BZSNNMDCSA-N 2 1 380.533 0.279 20 0 GCADMP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000582787008 1186675586 /nfs/dbraw/zinc/67/55/86/1186675586.db2.gz XTLPUMBGPBCBQK-HNNXBMFYSA-N 2 1 376.457 0.589 20 0 GCADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000582787008 1186675590 /nfs/dbraw/zinc/67/55/90/1186675590.db2.gz XTLPUMBGPBCBQK-HNNXBMFYSA-N 2 1 376.457 0.589 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582846286 1186709570 /nfs/dbraw/zinc/70/95/70/1186709570.db2.gz FNMDZFHTZOFGGR-RTBURBONSA-N 2 1 392.544 0.548 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000582932673 1186733598 /nfs/dbraw/zinc/73/35/98/1186733598.db2.gz NIWAMDDWPNODEJ-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000582932673 1186733602 /nfs/dbraw/zinc/73/36/02/1186733602.db2.gz NIWAMDDWPNODEJ-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP CCC(CC)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620267 1186739189 /nfs/dbraw/zinc/73/91/89/1186739189.db2.gz LIONOTYJLNZBJN-OALUTQOASA-N 2 1 394.560 0.888 20 0 GCADMP CCC(CC)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000152620267 1186739192 /nfs/dbraw/zinc/73/91/92/1186739192.db2.gz LIONOTYJLNZBJN-OALUTQOASA-N 2 1 394.560 0.888 20 0 GCADMP CC[NH+]1CCN(Cc2ccc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000162034303 1186739835 /nfs/dbraw/zinc/73/98/35/1186739835.db2.gz HIRVTZLKIWITPW-UHFFFAOYSA-N 2 1 387.528 0.927 20 0 GCADMP Cc1[nH+]ccn1CCCNC(=O)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000583038307 1186754962 /nfs/dbraw/zinc/75/49/62/1186754962.db2.gz MJYYAWNCDXBVLR-UHFFFAOYSA-N 2 1 384.484 0.874 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000150740609 1186764406 /nfs/dbraw/zinc/76/44/06/1186764406.db2.gz AGKABWHFEOBOAI-SFHVURJKSA-N 2 1 379.549 0.914 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COCc2ccccc2F)CC1 ZINC000162609312 1186786930 /nfs/dbraw/zinc/78/69/30/1186786930.db2.gz XLEQBROTBCDQEX-HKUYNNGSSA-N 2 1 379.476 0.942 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC[C@@H]21 ZINC000657741358 1186793782 /nfs/dbraw/zinc/79/37/82/1186793782.db2.gz JRNWDAVLYSYRDQ-SQNIBIBYSA-N 2 1 378.517 0.252 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458541249 1186862205 /nfs/dbraw/zinc/86/22/05/1186862205.db2.gz AEPWPQBUWUJGFI-OTWHNJEPSA-N 2 1 382.549 0.900 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000458562815 1186872304 /nfs/dbraw/zinc/87/23/04/1186872304.db2.gz YLIALROZAZGRGB-GBESFXJTSA-N 2 1 382.549 0.900 20 0 GCADMP CC(C)Nc1nc(NCCO)nc(N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000413527824 1186879343 /nfs/dbraw/zinc/87/93/43/1186879343.db2.gz BXDNCSJFNVGOQC-MRXNPFEDSA-N 2 1 385.516 0.651 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329375947 1186927069 /nfs/dbraw/zinc/92/70/69/1186927069.db2.gz OBGQQWLXOBDNMF-MOPGFXCFSA-N 2 1 392.544 0.787 20 0 GCADMP COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400136 1186930942 /nfs/dbraw/zinc/93/09/42/1186930942.db2.gz WHSCMBFPBMYCFB-SXLOBPIMSA-N 2 1 393.528 0.751 20 0 GCADMP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400136 1186930945 /nfs/dbraw/zinc/93/09/45/1186930945.db2.gz WHSCMBFPBMYCFB-SXLOBPIMSA-N 2 1 393.528 0.751 20 0 GCADMP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400130 1186931117 /nfs/dbraw/zinc/93/11/17/1186931117.db2.gz WHSCMBFPBMYCFB-RLLQIKCJSA-N 2 1 393.528 0.751 20 0 GCADMP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400130 1186931118 /nfs/dbraw/zinc/93/11/18/1186931118.db2.gz WHSCMBFPBMYCFB-RLLQIKCJSA-N 2 1 393.528 0.751 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000329437996 1186939838 /nfs/dbraw/zinc/93/98/38/1186939838.db2.gz JOOITZPDTYNUSC-OALUTQOASA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](CNC(=O)CCc3nccn3C)[C@H](C)C2)CC[N@H+]1C ZINC001719727594 1186978414 /nfs/dbraw/zinc/97/84/14/1186978414.db2.gz VWWHZUUCKKBSJV-QBPKDAKJSA-N 2 1 375.517 0.904 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000672010980 1186990753 /nfs/dbraw/zinc/99/07/53/1186990753.db2.gz PTDNIILFCCCPOR-MRXNPFEDSA-N 2 1 381.565 0.317 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000672010980 1186990756 /nfs/dbraw/zinc/99/07/56/1186990756.db2.gz PTDNIILFCCCPOR-MRXNPFEDSA-N 2 1 381.565 0.317 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000548817225 1186993856 /nfs/dbraw/zinc/99/38/56/1186993856.db2.gz ZXIWHQJNZCZOOV-IBGZPJMESA-N 2 1 391.560 0.382 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2cnc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)cn2)[C@@H](C)C1 ZINC000685273061 1187008602 /nfs/dbraw/zinc/00/86/02/1187008602.db2.gz FKUHFMQIWONCJQ-XSLAGTTESA-N 2 1 392.548 0.259 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)[C@@H]2C1 ZINC000584194973 1187013363 /nfs/dbraw/zinc/01/33/63/1187013363.db2.gz IBAQTQPRERZUHW-DDBAPUKQSA-N 2 1 378.517 0.033 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)[C@@H]2C1 ZINC000584194975 1187013694 /nfs/dbraw/zinc/01/36/94/1187013694.db2.gz IBAQTQPRERZUHW-VDHUWJSZSA-N 2 1 378.517 0.033 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C[N@H+]1C1CC1 ZINC000685277346 1187019748 /nfs/dbraw/zinc/01/97/48/1187019748.db2.gz GPSLNLZKSYFYRJ-ARFHVFGLSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277346 1187019752 /nfs/dbraw/zinc/01/97/52/1187019752.db2.gz GPSLNLZKSYFYRJ-ARFHVFGLSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C[NH+]1C1CC1 ZINC000685277346 1187019756 /nfs/dbraw/zinc/01/97/56/1187019756.db2.gz GPSLNLZKSYFYRJ-ARFHVFGLSA-N 2 1 378.517 0.440 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)CC1 ZINC000584285759 1187025971 /nfs/dbraw/zinc/02/59/71/1187025971.db2.gz NWBYMWHDYKRSSW-SFHVURJKSA-N 2 1 382.549 0.781 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000584306253 1187029719 /nfs/dbraw/zinc/02/97/19/1187029719.db2.gz YZRIDRJIUKVBSX-QFBILLFUSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000584306253 1187029721 /nfs/dbraw/zinc/02/97/21/1187029721.db2.gz YZRIDRJIUKVBSX-QFBILLFUSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000584339831 1187032677 /nfs/dbraw/zinc/03/26/77/1187032677.db2.gz YNCKOZPCFPVOBS-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000080699373 1187034173 /nfs/dbraw/zinc/03/41/73/1187034173.db2.gz HGVBCKKAPVJGLC-ROUUACIJSA-N 2 1 379.549 0.947 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000080699373 1187034177 /nfs/dbraw/zinc/03/41/77/1187034177.db2.gz HGVBCKKAPVJGLC-ROUUACIJSA-N 2 1 379.549 0.947 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000080699373 1187034184 /nfs/dbraw/zinc/03/41/84/1187034184.db2.gz HGVBCKKAPVJGLC-ROUUACIJSA-N 2 1 379.549 0.947 20 0 GCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](O)CN3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000420972843 1187040212 /nfs/dbraw/zinc/04/02/12/1187040212.db2.gz BJIXOWCAJBRBNS-SVFBPWRDSA-N 2 1 382.593 0.949 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611840126 1187047004 /nfs/dbraw/zinc/04/70/04/1187047004.db2.gz ZTARILXRHDSGAT-IRXDYDNUSA-N 2 1 380.533 0.593 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)cn1 ZINC000127840422 1187049321 /nfs/dbraw/zinc/04/93/21/1187049321.db2.gz ZBQVZJJLYKOWCT-UHFFFAOYSA-N 2 1 390.463 0.771 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000584409274 1187053700 /nfs/dbraw/zinc/05/37/00/1187053700.db2.gz CFEOOTJMJFZNBM-LSDHHAIUSA-N 2 1 389.500 0.645 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306297 1187062668 /nfs/dbraw/zinc/06/26/68/1187062668.db2.gz AUNIYSMRYYUITI-RYRKJORJSA-N 2 1 378.517 0.156 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@@H](O)COC3CCOCC3)cc2)CC1 ZINC000584449568 1187068076 /nfs/dbraw/zinc/06/80/76/1187068076.db2.gz OOSRWLRULOJEJR-LJQANCHMSA-N 2 1 391.512 0.720 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310522 1187069492 /nfs/dbraw/zinc/06/94/92/1187069492.db2.gz YXWVDLCPVLEBOB-QAPCUYQASA-N 2 1 380.533 0.545 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@@H+](C)C1 ZINC000413555735 1187075762 /nfs/dbraw/zinc/07/57/62/1187075762.db2.gz ROIMIROLDMGRKU-MRXNPFEDSA-N 2 1 393.488 0.268 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000563912368 1187087542 /nfs/dbraw/zinc/08/75/42/1187087542.db2.gz RLNFYOZOKKPONY-NXHRZFHOSA-N 2 1 380.533 0.423 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873137 1187088377 /nfs/dbraw/zinc/08/83/77/1187088377.db2.gz DAGNBSREPLSHNC-UHFFFAOYSA-N 2 1 387.484 0.053 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c1 ZINC000685339134 1187102901 /nfs/dbraw/zinc/10/29/01/1187102901.db2.gz DOEWPUDUGDEWPA-PKOBYXMFSA-N 2 1 390.528 0.721 20 0 GCADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c1 ZINC000685339134 1187102905 /nfs/dbraw/zinc/10/29/05/1187102905.db2.gz DOEWPUDUGDEWPA-PKOBYXMFSA-N 2 1 390.528 0.721 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000685344483 1187110155 /nfs/dbraw/zinc/11/01/55/1187110155.db2.gz XLNMNEYCEYXDGS-MAUKXSAKSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344483 1187110158 /nfs/dbraw/zinc/11/01/58/1187110158.db2.gz XLNMNEYCEYXDGS-MAUKXSAKSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443949 1187129376 /nfs/dbraw/zinc/12/93/76/1187129376.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443949 1187129379 /nfs/dbraw/zinc/12/93/79/1187129379.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000685443949 1187129381 /nfs/dbraw/zinc/12/93/81/1187129381.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000685443949 1187129383 /nfs/dbraw/zinc/12/93/83/1187129383.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 2 1 391.560 0.380 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000685443949 1187129385 /nfs/dbraw/zinc/12/93/85/1187129385.db2.gz GYGQFOMGBZUPLO-QFBILLFUSA-N 2 1 391.560 0.380 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000685519997 1187141892 /nfs/dbraw/zinc/14/18/92/1187141892.db2.gz BCXNXZBOIIFRQJ-IAGOWNOFSA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000685519997 1187141894 /nfs/dbraw/zinc/14/18/94/1187141894.db2.gz BCXNXZBOIIFRQJ-IAGOWNOFSA-N 2 1 380.533 0.404 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C3CC[NH+](CC4CC4)CC3)C[C@H]2O)CC[N@H+]1C ZINC001023969263 1187201143 /nfs/dbraw/zinc/20/11/43/1187201143.db2.gz KQWNHXCBKLZIJI-UTRMSSBJSA-N 2 1 392.544 0.137 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000431628090 1187274999 /nfs/dbraw/zinc/27/49/99/1187274999.db2.gz MURWTIVAHNACRG-KRWDZBQOSA-N 2 1 397.564 0.633 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)O1 ZINC000972855817 1187281817 /nfs/dbraw/zinc/28/18/17/1187281817.db2.gz ZQZQKGORPFWUBM-NXWXRZEISA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC4CC[NH+](C)CC4)C[C@H]32)O1 ZINC000972855817 1187281820 /nfs/dbraw/zinc/28/18/20/1187281820.db2.gz ZQZQKGORPFWUBM-NXWXRZEISA-N 2 1 392.544 0.497 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000658568909 1187349395 /nfs/dbraw/zinc/34/93/95/1187349395.db2.gz YTTVMEUCHLGHTR-ZWKOTPCHSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000658568909 1187349398 /nfs/dbraw/zinc/34/93/98/1187349398.db2.gz YTTVMEUCHLGHTR-ZWKOTPCHSA-N 2 1 379.549 0.025 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658568909 1187349402 /nfs/dbraw/zinc/34/94/02/1187349402.db2.gz YTTVMEUCHLGHTR-ZWKOTPCHSA-N 2 1 379.549 0.025 20 0 GCADMP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@H]3CC[N@@H+](C4CCN(C)CC4)C3)cn2n1 ZINC000685736229 1187386820 /nfs/dbraw/zinc/38/68/20/1187386820.db2.gz ZNJCLVZTABLJMI-KRWDZBQOSA-N 2 1 399.499 0.603 20 0 GCADMP Cc1c(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)ccc2c[nH+]cn21 ZINC001024462150 1187394650 /nfs/dbraw/zinc/39/46/50/1187394650.db2.gz HDRKHNUYYXLIOO-BDQAWRDZSA-N 2 1 385.468 0.284 20 0 GCADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636036185 1187430749 /nfs/dbraw/zinc/43/07/49/1187430749.db2.gz YLRGYQPWJSOBFD-LSDHHAIUSA-N 2 1 389.500 0.831 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636036185 1187430754 /nfs/dbraw/zinc/43/07/54/1187430754.db2.gz YLRGYQPWJSOBFD-LSDHHAIUSA-N 2 1 389.500 0.831 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732072 1187433564 /nfs/dbraw/zinc/43/35/64/1187433564.db2.gz XLRLHFDWKUUNMW-MOPGFXCFSA-N 2 1 391.560 0.312 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685761789 1187451819 /nfs/dbraw/zinc/45/18/19/1187451819.db2.gz BLHLCWXBNJAYMP-QGZVFWFLSA-N 2 1 391.516 0.590 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1=O ZINC000472429586 1187486850 /nfs/dbraw/zinc/48/68/50/1187486850.db2.gz WLKSANDMQKYFBF-ROUUACIJSA-N 2 1 394.560 0.671 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1)N1CCOCC1 ZINC000569972065 1187489081 /nfs/dbraw/zinc/48/90/81/1187489081.db2.gz PQRRHYNGHDQRRU-IRXDYDNUSA-N 2 1 395.525 0.628 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1)N1CCOCC1 ZINC000569972065 1187489085 /nfs/dbraw/zinc/48/90/85/1187489085.db2.gz PQRRHYNGHDQRRU-IRXDYDNUSA-N 2 1 395.525 0.628 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000612481464 1187504052 /nfs/dbraw/zinc/50/40/52/1187504052.db2.gz BHENYIMDTRBWRU-IAGOWNOFSA-N 2 1 382.549 0.527 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000612481464 1187504055 /nfs/dbraw/zinc/50/40/55/1187504055.db2.gz BHENYIMDTRBWRU-IAGOWNOFSA-N 2 1 382.549 0.527 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)CC2)CC1 ZINC000892499627 1187504920 /nfs/dbraw/zinc/50/49/20/1187504920.db2.gz ZOGPBHHYSIPCEO-KRWDZBQOSA-N 2 1 379.549 0.960 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[N@@H+]1CCO ZINC000658803739 1187516513 /nfs/dbraw/zinc/51/65/13/1187516513.db2.gz RFQXTKOVUCQIPA-KRWDZBQOSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC[N@H+]1CCO ZINC000658803739 1187516516 /nfs/dbraw/zinc/51/65/16/1187516516.db2.gz RFQXTKOVUCQIPA-KRWDZBQOSA-N 2 1 380.533 0.378 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000612546587 1187523072 /nfs/dbraw/zinc/52/30/72/1187523072.db2.gz UGJZFRHHKQZDAC-OKZBNKHCSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822555 1187529951 /nfs/dbraw/zinc/52/99/51/1187529951.db2.gz UHTFSQUDFQIMGL-FGTMMUONSA-N 2 1 380.533 0.282 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000612595562 1187534993 /nfs/dbraw/zinc/53/49/93/1187534993.db2.gz IVLUNMHEPCZXRS-KBAYOESNSA-N 2 1 378.517 0.299 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000413845044 1187543771 /nfs/dbraw/zinc/54/37/71/1187543771.db2.gz JMIFPWRWSIKPQS-MLHJIOFPSA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000413845044 1187543773 /nfs/dbraw/zinc/54/37/73/1187543773.db2.gz JMIFPWRWSIKPQS-MLHJIOFPSA-N 2 1 382.549 0.363 20 0 GCADMP CCN(CCOCCNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000413845044 1187543775 /nfs/dbraw/zinc/54/37/75/1187543775.db2.gz JMIFPWRWSIKPQS-MLHJIOFPSA-N 2 1 382.549 0.363 20 0 GCADMP [NH3+]C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000570211692 1187549331 /nfs/dbraw/zinc/54/93/31/1187549331.db2.gz CMPZGMARIUJUQB-ROUUACIJSA-N 2 1 380.533 0.724 20 0 GCADMP C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000658820681 1187552096 /nfs/dbraw/zinc/55/20/96/1187552096.db2.gz ZONNFWDIESDPJR-AEFFLSMTSA-N 2 1 382.549 0.480 20 0 GCADMP C[C@H](CO)[C@@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000658820681 1187552100 /nfs/dbraw/zinc/55/21/00/1187552100.db2.gz ZONNFWDIESDPJR-AEFFLSMTSA-N 2 1 382.549 0.480 20 0 GCADMP C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000658820685 1187552127 /nfs/dbraw/zinc/55/21/27/1187552127.db2.gz ZONNFWDIESDPJR-SJLPKXTDSA-N 2 1 382.549 0.480 20 0 GCADMP C[C@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000658820685 1187552131 /nfs/dbraw/zinc/55/21/31/1187552131.db2.gz ZONNFWDIESDPJR-SJLPKXTDSA-N 2 1 382.549 0.480 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC[N@H+]1C ZINC001024650046 1187558418 /nfs/dbraw/zinc/55/84/18/1187558418.db2.gz LAEWQKBXYWVNPN-BSDSXHPESA-N 2 1 385.468 0.366 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+](C)C1 ZINC000413901529 1187573365 /nfs/dbraw/zinc/57/33/65/1187573365.db2.gz MIFXYHUEFHPRLY-GOSISDBHSA-N 2 1 388.512 0.762 20 0 GCADMP CN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000636111779 1187573499 /nfs/dbraw/zinc/57/34/99/1187573499.db2.gz OSJULRDZLTWSGG-BZSNNMDCSA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000636111779 1187573501 /nfs/dbraw/zinc/57/35/01/1187573501.db2.gz OSJULRDZLTWSGG-BZSNNMDCSA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000636111779 1187573502 /nfs/dbraw/zinc/57/35/02/1187573502.db2.gz OSJULRDZLTWSGG-BZSNNMDCSA-N 2 1 379.549 0.214 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000612776335 1187579146 /nfs/dbraw/zinc/57/91/46/1187579146.db2.gz MCTQRTCFAKPSLE-INIZCTEOSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000612776335 1187579152 /nfs/dbraw/zinc/57/91/52/1187579152.db2.gz MCTQRTCFAKPSLE-INIZCTEOSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612775972 1187579680 /nfs/dbraw/zinc/57/96/80/1187579680.db2.gz FGIJOIZMCZGCPV-INIZCTEOSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612775972 1187579685 /nfs/dbraw/zinc/57/96/85/1187579685.db2.gz FGIJOIZMCZGCPV-INIZCTEOSA-N 2 1 394.560 0.528 20 0 GCADMP C[NH+](C)CCC1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000658856210 1187652767 /nfs/dbraw/zinc/65/27/67/1187652767.db2.gz UDQPVXJCHJKLBY-IBGZPJMESA-N 2 1 393.576 0.415 20 0 GCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)NCC[NH+]1CCC(O)CC1 ZINC000892544569 1187747152 /nfs/dbraw/zinc/74/71/52/1187747152.db2.gz MXDSGHXJHOBALK-UHFFFAOYSA-N 2 1 390.532 0.350 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332812509 1187782151 /nfs/dbraw/zinc/78/21/51/1187782151.db2.gz VBVYNAYJAKQVFW-RHQZKXFESA-N 2 1 392.544 0.614 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332812509 1187782154 /nfs/dbraw/zinc/78/21/54/1187782154.db2.gz VBVYNAYJAKQVFW-RHQZKXFESA-N 2 1 392.544 0.614 20 0 GCADMP O=C(C[C@H](O)CC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332812509 1187782157 /nfs/dbraw/zinc/78/21/57/1187782157.db2.gz VBVYNAYJAKQVFW-RHQZKXFESA-N 2 1 392.544 0.614 20 0 GCADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000892581904 1187791520 /nfs/dbraw/zinc/79/15/20/1187791520.db2.gz BLCYVYFJELNFEK-QAPCUYQASA-N 2 1 379.526 0.987 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)n1 ZINC000658963552 1187821681 /nfs/dbraw/zinc/82/16/81/1187821681.db2.gz RKORCXKMBCALPP-QGZVFWFLSA-N 2 1 384.484 0.774 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2)n1 ZINC000658963552 1187821686 /nfs/dbraw/zinc/82/16/86/1187821686.db2.gz RKORCXKMBCALPP-QGZVFWFLSA-N 2 1 384.484 0.774 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977846 1187829578 /nfs/dbraw/zinc/82/95/78/1187829578.db2.gz KQKUBECAQBLERY-RTBURBONSA-N 2 1 391.560 0.312 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000892651393 1187882346 /nfs/dbraw/zinc/88/23/46/1187882346.db2.gz YCHHLRCTUDKONL-KURKYZTESA-N 2 1 395.548 0.170 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000659318570 1187943555 /nfs/dbraw/zinc/94/35/55/1187943555.db2.gz NHBOTNBYHMANEF-HKUYNNGSSA-N 3 1 393.576 0.414 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344795 1187946136 /nfs/dbraw/zinc/94/61/36/1187946136.db2.gz KVPRJRITFFEGSP-ROUUACIJSA-N 2 1 379.549 0.166 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344795 1187946138 /nfs/dbraw/zinc/94/61/38/1187946138.db2.gz KVPRJRITFFEGSP-ROUUACIJSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344578 1187946272 /nfs/dbraw/zinc/94/62/72/1187946272.db2.gz GXNXPBVKHXXTIM-SFHVURJKSA-N 2 1 393.576 0.556 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344578 1187946274 /nfs/dbraw/zinc/94/62/74/1187946274.db2.gz GXNXPBVKHXXTIM-SFHVURJKSA-N 2 1 393.576 0.556 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659451140 1187960320 /nfs/dbraw/zinc/96/03/20/1187960320.db2.gz BXHGUPUBHATOMT-QGZVFWFLSA-N 2 1 379.549 0.960 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659455811 1187960885 /nfs/dbraw/zinc/96/08/85/1187960885.db2.gz DOSKKIHKYNSGNT-PMACEKPBSA-N 2 1 393.576 0.814 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H](C)C1 ZINC000659456309 1187961082 /nfs/dbraw/zinc/96/10/82/1187961082.db2.gz KMEFWQJMGSJISM-DZGCQCFKSA-N 2 1 380.493 0.577 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CCN1C ZINC000659534565 1187967978 /nfs/dbraw/zinc/96/79/78/1187967978.db2.gz BXWKKGIFTIIGTF-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC[N@@H+]1C ZINC000659534565 1187967980 /nfs/dbraw/zinc/96/79/80/1187967980.db2.gz BXWKKGIFTIIGTF-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)CC[N@H+]1C ZINC000659534565 1187967982 /nfs/dbraw/zinc/96/79/82/1187967982.db2.gz BXWKKGIFTIIGTF-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC[NH+]1C ZINC000659534565 1187967984 /nfs/dbraw/zinc/96/79/84/1187967984.db2.gz BXWKKGIFTIIGTF-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)CC[NH+]1C ZINC000659534565 1187967987 /nfs/dbraw/zinc/96/79/87/1187967987.db2.gz BXWKKGIFTIIGTF-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000659642274 1187979538 /nfs/dbraw/zinc/97/95/38/1187979538.db2.gz VAYGUIDLBYIATG-GOSISDBHSA-N 2 1 377.533 0.714 20 0 GCADMP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000655468140 1187987787 /nfs/dbraw/zinc/98/77/87/1187987787.db2.gz INDSUBPVWBIRSC-RXVVDRJESA-N 2 1 391.560 0.073 20 0 GCADMP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000655468141 1187988044 /nfs/dbraw/zinc/98/80/44/1187988044.db2.gz INDSUBPVWBIRSC-WIYYLYMNSA-N 2 1 391.560 0.073 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000659680437 1187993094 /nfs/dbraw/zinc/99/30/94/1187993094.db2.gz NGFUOKNMYWUNOA-MOPGFXCFSA-N 2 1 394.560 0.698 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659680782 1187994041 /nfs/dbraw/zinc/99/40/41/1187994041.db2.gz KVQVOSJAFVLPFD-BETUJISGSA-N 2 1 392.504 0.130 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659684651 1187996812 /nfs/dbraw/zinc/99/68/12/1187996812.db2.gz KKTTXDFYUZQZOX-KBAYOESNSA-N 2 1 376.501 0.364 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000659688613 1187997356 /nfs/dbraw/zinc/99/73/56/1187997356.db2.gz CRDMPZFQUPTUJO-HNNXBMFYSA-N 2 1 390.488 0.170 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)C[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000659683244 1187998969 /nfs/dbraw/zinc/99/89/69/1187998969.db2.gz WMKLWSGGVFXIDA-DYVFJYSZSA-N 2 1 388.516 0.764 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659697205 1188001605 /nfs/dbraw/zinc/00/16/05/1188001605.db2.gz QYMJVWDMZRHWOL-NJAFHUGGSA-N 2 1 376.501 0.506 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659697205 1188001608 /nfs/dbraw/zinc/00/16/08/1188001608.db2.gz QYMJVWDMZRHWOL-NJAFHUGGSA-N 2 1 376.501 0.506 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659699125 1188004113 /nfs/dbraw/zinc/00/41/13/1188004113.db2.gz QDBCRZLDXZVRBF-IBGZPJMESA-N 2 1 393.576 0.368 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659698810 1188004474 /nfs/dbraw/zinc/00/44/74/1188004474.db2.gz MXZNZXLUOAHHHS-RDJZCZTQSA-N 2 1 376.501 0.588 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659698810 1188004478 /nfs/dbraw/zinc/00/44/78/1188004478.db2.gz MXZNZXLUOAHHHS-RDJZCZTQSA-N 2 1 376.501 0.588 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699812 1188004763 /nfs/dbraw/zinc/00/47/63/1188004763.db2.gz WLDKYLFGEORUEP-AEFFLSMTSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699812 1188004768 /nfs/dbraw/zinc/00/47/68/1188004768.db2.gz WLDKYLFGEORUEP-AEFFLSMTSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659699813 1188005153 /nfs/dbraw/zinc/00/51/53/1188005153.db2.gz WLDKYLFGEORUEP-FUHWJXTLSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659699813 1188005158 /nfs/dbraw/zinc/00/51/58/1188005158.db2.gz WLDKYLFGEORUEP-FUHWJXTLSA-N 2 1 388.512 0.780 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659733277 1188019682 /nfs/dbraw/zinc/01/96/82/1188019682.db2.gz SLFJWJZREYNOCD-UHFFFAOYSA-N 2 1 387.528 0.655 20 0 GCADMP O=C(Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C(=O)N1CCC[NH2+]CC1 ZINC000415319510 1188032815 /nfs/dbraw/zinc/03/28/15/1188032815.db2.gz OSZVCRORPIXVJQ-UHFFFAOYSA-N 2 1 399.495 0.734 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)NC2(CCCC2)C1=O ZINC000377483602 1188034835 /nfs/dbraw/zinc/03/48/35/1188034835.db2.gz BGGMODVHHUTUDV-INIZCTEOSA-N 2 1 393.532 0.726 20 0 GCADMP C[NH2+]CCNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)ccc1F ZINC000415360009 1188060654 /nfs/dbraw/zinc/06/06/54/1188060654.db2.gz LCZJLUKXXPKDJO-ZDUSSCGKSA-N 2 1 393.463 0.913 20 0 GCADMP C[NH2+]CCNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)ccc1F ZINC000415360009 1188060658 /nfs/dbraw/zinc/06/06/58/1188060658.db2.gz LCZJLUKXXPKDJO-ZDUSSCGKSA-N 2 1 393.463 0.913 20 0 GCADMP [NH3+][C@H]1CCN(C(=O)C(=O)Nc2ccc3c(ccn3CC[NH+]3CCOCC3)c2)C1 ZINC000415368790 1188061922 /nfs/dbraw/zinc/06/19/22/1188061922.db2.gz KVQNWWQYRIVYRV-INIZCTEOSA-N 2 1 385.468 0.472 20 0 GCADMP CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415385605 1188068056 /nfs/dbraw/zinc/06/80/56/1188068056.db2.gz VLOHAGPCPXADRW-UHFFFAOYSA-N 2 1 387.484 0.766 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415379870 1188068737 /nfs/dbraw/zinc/06/87/37/1188068737.db2.gz OVTKMQLPRSUHGJ-GOSISDBHSA-N 2 1 399.495 0.780 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000415506896 1188093576 /nfs/dbraw/zinc/09/35/76/1188093576.db2.gz SIVAJBHOVLNVLM-INIZCTEOSA-N 2 1 377.489 0.957 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021056 1188102494 /nfs/dbraw/zinc/10/24/94/1188102494.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021056 1188102498 /nfs/dbraw/zinc/10/24/98/1188102498.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021056 1188102502 /nfs/dbraw/zinc/10/25/02/1188102502.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021056 1188102506 /nfs/dbraw/zinc/10/25/06/1188102506.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021056 1188102509 /nfs/dbraw/zinc/10/25/09/1188102509.db2.gz CTVIKRDLCZKVHG-UHOSZYNNSA-N 3 1 379.549 0.396 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691484 1188136378 /nfs/dbraw/zinc/13/63/78/1188136378.db2.gz VSCLGVGSRRPXPD-BQFCYCMXSA-N 2 1 380.533 0.722 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652691487 1188137134 /nfs/dbraw/zinc/13/71/34/1188137134.db2.gz VSCLGVGSRRPXPD-LZLYRXPVSA-N 2 1 380.533 0.722 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(O)C[NH+]4CCC3CC4)CC2)CC1 ZINC000584538873 1188144674 /nfs/dbraw/zinc/14/46/74/1188144674.db2.gz CWKICNHNWLWTKU-OAQYLSRUSA-N 3 1 378.561 0.756 20 0 GCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000651103022 1188153671 /nfs/dbraw/zinc/15/36/71/1188153671.db2.gz YWNPKACTCLKCEO-QGZVFWFLSA-N 2 1 377.489 0.373 20 0 GCADMP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000651103022 1188153674 /nfs/dbraw/zinc/15/36/74/1188153674.db2.gz YWNPKACTCLKCEO-QGZVFWFLSA-N 2 1 377.489 0.373 20 0 GCADMP CN(C(=O)C(=O)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000415743067 1188155557 /nfs/dbraw/zinc/15/55/57/1188155557.db2.gz MJXVCVKHUXPTHO-INIZCTEOSA-N 2 1 382.468 0.699 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000415825261 1189371891 /nfs/dbraw/zinc/37/18/91/1189371891.db2.gz YXGFEFKWTZVTCE-MRXNPFEDSA-N 2 1 375.473 0.759 20 0 GCADMP C[NH+](C)C[C@H]1CCN(c2nc(NC3CC3)[nH+]c(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000893118752 1189373513 /nfs/dbraw/zinc/37/35/13/1189373513.db2.gz JKWCUERVBLGHMD-HZPDHXFCSA-N 3 1 388.564 0.644 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000415839869 1189376729 /nfs/dbraw/zinc/37/67/29/1189376729.db2.gz FPPQIUSEFCDCHI-SJLPKXTDSA-N 2 1 388.512 0.943 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854944 1189382888 /nfs/dbraw/zinc/38/28/88/1189382888.db2.gz NTPTZJINQIAIHJ-LPHOPBHVSA-N 2 1 387.528 0.877 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000415903088 1189401407 /nfs/dbraw/zinc/40/14/07/1189401407.db2.gz YRGGCSVPMIKATP-QZTJIDSGSA-N 2 1 386.496 0.568 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)CCCO1 ZINC000415958661 1189409937 /nfs/dbraw/zinc/40/99/37/1189409937.db2.gz XHYISHWKEPZZFE-OAHLLOKOSA-N 2 1 377.493 0.509 20 0 GCADMP CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N1CCOCC1 ZINC000460853606 1189458472 /nfs/dbraw/zinc/45/84/72/1189458472.db2.gz GLHJZAMVOBEFHL-ZWKOTPCHSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853606 1189458473 /nfs/dbraw/zinc/45/84/73/1189458473.db2.gz GLHJZAMVOBEFHL-ZWKOTPCHSA-N 2 1 382.549 0.827 20 0 GCADMP CCC(CC)[C@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC000460853606 1189458476 /nfs/dbraw/zinc/45/84/76/1189458476.db2.gz GLHJZAMVOBEFHL-ZWKOTPCHSA-N 2 1 382.549 0.827 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000378528067 1189528250 /nfs/dbraw/zinc/52/82/50/1189528250.db2.gz HACIQNHBTSOGND-DLBZAZTESA-N 2 1 397.545 0.632 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000378528067 1189528253 /nfs/dbraw/zinc/52/82/53/1189528253.db2.gz HACIQNHBTSOGND-DLBZAZTESA-N 2 1 397.545 0.632 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CC[NH+](C)CC2)ccn1 ZINC000378579535 1189539684 /nfs/dbraw/zinc/53/96/84/1189539684.db2.gz QJSOQAGFSDAGLW-QGZVFWFLSA-N 2 1 389.500 0.401 20 0 GCADMP CN1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)[C@H](C[NH3+])C1 ZINC000582052988 1189546494 /nfs/dbraw/zinc/54/64/94/1189546494.db2.gz ZATTZLGCMLBGMQ-ZMSDIMECSA-N 2 1 393.557 0.349 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000511571526 1189559186 /nfs/dbraw/zinc/55/91/86/1189559186.db2.gz HCQAYJJWTXTCDH-IEBWSBKVSA-N 2 1 390.528 0.660 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[NH+](C)C ZINC000416833221 1189587413 /nfs/dbraw/zinc/58/74/13/1189587413.db2.gz JHXPIDVWGCLGFW-FUHWJXTLSA-N 2 1 375.517 0.987 20 0 GCADMP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C[NH3+])C1 ZINC000416941990 1189596534 /nfs/dbraw/zinc/59/65/34/1189596534.db2.gz CTCIDHPUAFBYOG-SJORKVTESA-N 2 1 375.521 0.758 20 0 GCADMP CC(C)[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000416946767 1189599002 /nfs/dbraw/zinc/59/90/02/1189599002.db2.gz XOOXADLJKONNOQ-HUUCEWRRSA-N 2 1 395.470 0.479 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416946797 1189599118 /nfs/dbraw/zinc/59/91/18/1189599118.db2.gz IUKOKXSIUUMLDB-IRXDYDNUSA-N 2 1 375.521 0.758 20 0 GCADMP C[C@@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]C1 ZINC000416955533 1189599610 /nfs/dbraw/zinc/59/96/10/1189599610.db2.gz QTYWORHTCCSVLM-LJQANCHMSA-N 2 1 375.521 0.678 20 0 GCADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416960291 1189603019 /nfs/dbraw/zinc/60/30/19/1189603019.db2.gz VWLHRSSWZIBJAJ-DLBZAZTESA-N 2 1 375.521 0.805 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000416981635 1189605551 /nfs/dbraw/zinc/60/55/51/1189605551.db2.gz VFKDNSPRROJPEA-OAHLLOKOSA-N 2 1 394.486 0.148 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000416997273 1189606360 /nfs/dbraw/zinc/60/63/60/1189606360.db2.gz VRWCATYWNFYLPT-UHFFFAOYSA-N 2 1 388.560 0.529 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCN2C)[C@@H](c2ccccc2)C1 ZINC000417022155 1189609054 /nfs/dbraw/zinc/60/90/54/1189609054.db2.gz NXFPCMVIBZQFTN-WOJBJXKFSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417022155 1189609059 /nfs/dbraw/zinc/60/90/59/1189609059.db2.gz NXFPCMVIBZQFTN-WOJBJXKFSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417022155 1189609063 /nfs/dbraw/zinc/60/90/63/1189609063.db2.gz NXFPCMVIBZQFTN-WOJBJXKFSA-N 2 1 388.560 0.568 20 0 GCADMP C[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000417039998 1189610850 /nfs/dbraw/zinc/61/08/50/1189610850.db2.gz KXHNWMNNGWXCLA-LJQANCHMSA-N 2 1 388.560 0.792 20 0 GCADMP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000417117802 1189618925 /nfs/dbraw/zinc/61/89/25/1189618925.db2.gz RAZMMRFZBWPAPX-HOCLYGCPSA-N 2 1 393.557 0.991 20 0 GCADMP C[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000417117802 1189618927 /nfs/dbraw/zinc/61/89/27/1189618927.db2.gz RAZMMRFZBWPAPX-HOCLYGCPSA-N 2 1 393.557 0.991 20 0 GCADMP C[C@@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000511604706 1189621391 /nfs/dbraw/zinc/62/13/91/1189621391.db2.gz QKUVLCLDFAPNRX-KRWDZBQOSA-N 2 1 395.592 0.565 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417166987 1189627138 /nfs/dbraw/zinc/62/71/38/1189627138.db2.gz VYZROUGIHDVIGR-HNNXBMFYSA-N 2 1 377.489 0.741 20 0 GCADMP CC(C)Cn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000611815117 1189628705 /nfs/dbraw/zinc/62/87/05/1189628705.db2.gz VLJXRGIKMPCFCO-XDNAFOTISA-N 2 1 390.532 0.725 20 0 GCADMP CC(C)Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000611815117 1189628709 /nfs/dbraw/zinc/62/87/09/1189628709.db2.gz VLJXRGIKMPCFCO-XDNAFOTISA-N 2 1 390.532 0.725 20 0 GCADMP CC(C)Cn1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000611815117 1189628714 /nfs/dbraw/zinc/62/87/14/1189628714.db2.gz VLJXRGIKMPCFCO-XDNAFOTISA-N 2 1 390.532 0.725 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000660170820 1189631071 /nfs/dbraw/zinc/63/10/71/1189631071.db2.gz LAOSRKZUOOOKJH-QGZVFWFLSA-N 2 1 380.533 0.378 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795458 1189670044 /nfs/dbraw/zinc/67/00/44/1189670044.db2.gz OWOKZAASYANQBJ-RTBURBONSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000584795458 1189670049 /nfs/dbraw/zinc/67/00/49/1189670049.db2.gz OWOKZAASYANQBJ-RTBURBONSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000584795458 1189670052 /nfs/dbraw/zinc/67/00/52/1189670052.db2.gz OWOKZAASYANQBJ-RTBURBONSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000584795456 1189670366 /nfs/dbraw/zinc/67/03/66/1189670366.db2.gz OWOKZAASYANQBJ-RBUKOAKNSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000584795456 1189670372 /nfs/dbraw/zinc/67/03/72/1189670372.db2.gz OWOKZAASYANQBJ-RBUKOAKNSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CN1CC[NH+](C)CC1 ZINC000584795456 1189670376 /nfs/dbraw/zinc/67/03/76/1189670376.db2.gz OWOKZAASYANQBJ-RBUKOAKNSA-N 2 1 395.592 0.757 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488261 1189672161 /nfs/dbraw/zinc/67/21/61/1189672161.db2.gz CHLAWDUGOCOOHN-MOPGFXCFSA-N 2 1 377.533 0.899 20 0 GCADMP O=C(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000582108066 1189676540 /nfs/dbraw/zinc/67/65/40/1189676540.db2.gz JORPBOHXXZFQBI-MSOLQXFVSA-N 2 1 378.517 0.254 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@@H](C)C1 ZINC000417669468 1189694369 /nfs/dbraw/zinc/69/43/69/1189694369.db2.gz LIGMWOGFAWYGBJ-BZSNNMDCSA-N 2 1 397.564 0.620 20 0 GCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000417668134 1189694573 /nfs/dbraw/zinc/69/45/73/1189694573.db2.gz JJENWCICOWQZEX-QGZVFWFLSA-N 2 1 392.500 0.740 20 0 GCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]CCCO1)CC2 ZINC000417668134 1189694577 /nfs/dbraw/zinc/69/45/77/1189694577.db2.gz JJENWCICOWQZEX-QGZVFWFLSA-N 2 1 392.500 0.740 20 0 GCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@H]1C[NH2+]CCN1C)CC2 ZINC000417673081 1189695480 /nfs/dbraw/zinc/69/54/80/1189695480.db2.gz VLPYQFFRDGTSJV-QGZVFWFLSA-N 2 1 391.516 0.265 20 0 GCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@H]1C[NH2+]CCN1C)CC2 ZINC000417673081 1189695486 /nfs/dbraw/zinc/69/54/86/1189695486.db2.gz VLPYQFFRDGTSJV-QGZVFWFLSA-N 2 1 391.516 0.265 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000660275217 1189700082 /nfs/dbraw/zinc/70/00/82/1189700082.db2.gz STCUWCRDSUCLRK-KRWDZBQOSA-N 2 1 375.521 0.772 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000660275217 1189700084 /nfs/dbraw/zinc/70/00/84/1189700084.db2.gz STCUWCRDSUCLRK-KRWDZBQOSA-N 2 1 375.521 0.772 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417725475 1189701128 /nfs/dbraw/zinc/70/11/28/1189701128.db2.gz GHLMUFOSFMVTBY-HKUYNNGSSA-N 2 1 375.517 0.956 20 0 GCADMP CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000417900910 1189707354 /nfs/dbraw/zinc/70/73/54/1189707354.db2.gz VJZVWXMGBUNXRQ-AABGKKOBSA-N 2 1 389.544 0.869 20 0 GCADMP CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000417900910 1189707358 /nfs/dbraw/zinc/70/73/58/1189707358.db2.gz VJZVWXMGBUNXRQ-AABGKKOBSA-N 2 1 389.544 0.869 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418079227 1189719988 /nfs/dbraw/zinc/71/99/88/1189719988.db2.gz QACNDDAAGBNICJ-SFHVURJKSA-N 2 1 377.558 0.808 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418079227 1189719991 /nfs/dbraw/zinc/71/99/91/1189719991.db2.gz QACNDDAAGBNICJ-SFHVURJKSA-N 2 1 377.558 0.808 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000660342522 1189723157 /nfs/dbraw/zinc/72/31/57/1189723157.db2.gz KHOCXWZERMIOPY-QGZVFWFLSA-N 2 1 392.544 0.785 20 0 GCADMP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115032 1189724181 /nfs/dbraw/zinc/72/41/81/1189724181.db2.gz NELJSFIBAZPTIQ-DLBZAZTESA-N 2 1 381.521 0.093 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115032 1189724187 /nfs/dbraw/zinc/72/41/87/1189724187.db2.gz NELJSFIBAZPTIQ-DLBZAZTESA-N 2 1 381.521 0.093 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115612 1189724846 /nfs/dbraw/zinc/72/48/46/1189724846.db2.gz OSOQSXUKMACAMQ-SJORKVTESA-N 2 1 383.537 0.516 20 0 GCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418182966 1189734094 /nfs/dbraw/zinc/73/40/94/1189734094.db2.gz NNXSNSGOEZYFNA-OALUTQOASA-N 2 1 375.517 0.653 20 0 GCADMP CC[N@H+]1CCO[C@@H](CNC(=O)NCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000418182966 1189734097 /nfs/dbraw/zinc/73/40/97/1189734097.db2.gz NNXSNSGOEZYFNA-OALUTQOASA-N 2 1 375.517 0.653 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418287675 1189748156 /nfs/dbraw/zinc/74/81/56/1189748156.db2.gz KXUVCPNBWCHZRO-HXUWFJFHSA-N 2 1 375.517 0.218 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418304130 1189755528 /nfs/dbraw/zinc/75/55/28/1189755528.db2.gz XBMIKSWGLRTHFT-MOPGFXCFSA-N 2 1 375.517 0.074 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000364377428 1189773871 /nfs/dbraw/zinc/77/38/71/1189773871.db2.gz PMXDFJVSBXLFMM-QGZVFWFLSA-N 2 1 382.549 0.650 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000364377428 1189773875 /nfs/dbraw/zinc/77/38/75/1189773875.db2.gz PMXDFJVSBXLFMM-QGZVFWFLSA-N 2 1 382.549 0.650 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000418398284 1189777136 /nfs/dbraw/zinc/77/71/36/1189777136.db2.gz WDMNFYYAIOTRKC-KKUMJFAQSA-N 2 1 381.500 0.956 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)C2)C1 ZINC000652693964 1189798656 /nfs/dbraw/zinc/79/86/56/1189798656.db2.gz KMRMESINJGFDRR-SFFUCWETSA-N 2 1 378.517 0.474 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H](C)O1 ZINC000500430798 1189851230 /nfs/dbraw/zinc/85/12/30/1189851230.db2.gz YWORJZCBURZUDC-BRWVUGGUSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567035 1189862490 /nfs/dbraw/zinc/86/24/90/1189862490.db2.gz UIPBCYRWPLVSAN-HKUYNNGSSA-N 2 1 375.517 0.563 20 0 GCADMP C[C@@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567035 1189862502 /nfs/dbraw/zinc/86/25/02/1189862502.db2.gz UIPBCYRWPLVSAN-HKUYNNGSSA-N 2 1 375.517 0.563 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000660532373 1189891882 /nfs/dbraw/zinc/89/18/82/1189891882.db2.gz HVPBNSWKSOKIHC-FGTMMUONSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660532373 1189891886 /nfs/dbraw/zinc/89/18/86/1189891886.db2.gz HVPBNSWKSOKIHC-FGTMMUONSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660532373 1189891889 /nfs/dbraw/zinc/89/18/89/1189891889.db2.gz HVPBNSWKSOKIHC-FGTMMUONSA-N 2 1 378.517 0.110 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000660586554 1189911568 /nfs/dbraw/zinc/91/15/68/1189911568.db2.gz ZADGWFXBKZRIQQ-GOSISDBHSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660582863 1189911587 /nfs/dbraw/zinc/91/15/87/1189911587.db2.gz AKSIIFQPXNKATP-ZWKOTPCHSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC000660582863 1189911590 /nfs/dbraw/zinc/91/15/90/1189911590.db2.gz AKSIIFQPXNKATP-ZWKOTPCHSA-N 2 1 379.549 0.995 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000660582863 1189911592 /nfs/dbraw/zinc/91/15/92/1189911592.db2.gz AKSIIFQPXNKATP-ZWKOTPCHSA-N 2 1 379.549 0.995 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1CC(C)(C)O ZINC000660791402 1189950946 /nfs/dbraw/zinc/95/09/46/1189950946.db2.gz MJQVNXKSQIYHJS-JXFKEZNVSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@H+]1CC(C)(C)O ZINC000660791402 1189950951 /nfs/dbraw/zinc/95/09/51/1189950951.db2.gz MJQVNXKSQIYHJS-JXFKEZNVSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791402 1189950953 /nfs/dbraw/zinc/95/09/53/1189950953.db2.gz MJQVNXKSQIYHJS-JXFKEZNVSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1CC(C)(C)O ZINC000660791402 1189950954 /nfs/dbraw/zinc/95/09/54/1189950954.db2.gz MJQVNXKSQIYHJS-JXFKEZNVSA-N 2 1 380.533 0.234 20 0 GCADMP CC1(C)CC[NH2+][C@@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000662788924 1190030294 /nfs/dbraw/zinc/03/02/94/1190030294.db2.gz XECROUMRGFZOOY-QGZVFWFLSA-N 2 1 380.533 0.452 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000419224611 1193721910 /nfs/dbraw/zinc/72/19/10/1193721910.db2.gz ZSZLWDCPSWCRNH-KHYOSLBOSA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419225681 1193725386 /nfs/dbraw/zinc/72/53/86/1193725386.db2.gz HNJYLLCMYYIFOS-ZIAGYGMSSA-N 2 1 382.455 0.969 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419225679 1193725879 /nfs/dbraw/zinc/72/58/79/1193725879.db2.gz HNJYLLCMYYIFOS-FOLVSLTJSA-N 2 1 382.455 0.969 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419225679 1193725883 /nfs/dbraw/zinc/72/58/83/1193725883.db2.gz HNJYLLCMYYIFOS-FOLVSLTJSA-N 2 1 382.455 0.969 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000419226607 1193728350 /nfs/dbraw/zinc/72/83/50/1193728350.db2.gz RBHJPUAMXPAXQS-ROUUACIJSA-N 2 1 378.517 0.500 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000419228207 1193734616 /nfs/dbraw/zinc/73/46/16/1193734616.db2.gz GONVCEMFOFVQBM-UKRRQHHQSA-N 2 1 380.514 0.106 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+]1CCc2sccc2C1 ZINC000419228207 1193734621 /nfs/dbraw/zinc/73/46/21/1193734621.db2.gz GONVCEMFOFVQBM-UKRRQHHQSA-N 2 1 380.514 0.106 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419228769 1193738048 /nfs/dbraw/zinc/73/80/48/1193738048.db2.gz MRTWVWGMDNQBEX-AEFFLSMTSA-N 2 1 376.501 0.365 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419233225 1193743158 /nfs/dbraw/zinc/74/31/58/1193743158.db2.gz VWUVFSRCJQYQIJ-NZSAHSFTSA-N 2 1 388.512 0.508 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549877807 1193748321 /nfs/dbraw/zinc/74/83/21/1193748321.db2.gz VTXUJHGMULHHIO-IBGZPJMESA-N 2 1 388.512 0.463 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549877807 1193748324 /nfs/dbraw/zinc/74/83/24/1193748324.db2.gz VTXUJHGMULHHIO-IBGZPJMESA-N 2 1 388.512 0.463 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000419240227 1193755096 /nfs/dbraw/zinc/75/50/96/1193755096.db2.gz QZNRBGGFRUYDEI-VKJFTORMSA-N 2 1 388.512 0.779 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000419240227 1193755103 /nfs/dbraw/zinc/75/51/03/1193755103.db2.gz QZNRBGGFRUYDEI-VKJFTORMSA-N 2 1 388.512 0.779 20 0 GCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)CC1 ZINC000433128282 1193761785 /nfs/dbraw/zinc/76/17/85/1193761785.db2.gz LCBTUSURYOGWQV-UHFFFAOYSA-N 3 1 393.576 0.592 20 0 GCADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880169 1193762201 /nfs/dbraw/zinc/76/22/01/1193762201.db2.gz SYLWEVHKTXWWPN-RBUKOAKNSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880169 1193762205 /nfs/dbraw/zinc/76/22/05/1193762205.db2.gz SYLWEVHKTXWWPN-RBUKOAKNSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CCC[NH+](CCNC(=O)COCC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249510469 1193771088 /nfs/dbraw/zinc/77/10/88/1193771088.db2.gz OOUSVMLGHDXHGO-QZTJIDSGSA-N 2 1 382.549 0.699 20 0 GCADMP C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H]1C[NH3+] ZINC000419268294 1193776628 /nfs/dbraw/zinc/77/66/28/1193776628.db2.gz LXWWYVONOVDTKF-LPHOPBHVSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000419268057 1193776813 /nfs/dbraw/zinc/77/68/13/1193776813.db2.gz LIQZOAMILUEQJP-INIZCTEOSA-N 2 1 388.512 0.721 20 0 GCADMP [NH3+]CC[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419269464 1193777155 /nfs/dbraw/zinc/77/71/55/1193777155.db2.gz OTCKXCDKKBQALG-QGZVFWFLSA-N 2 1 388.512 0.722 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419266641 1193777482 /nfs/dbraw/zinc/77/74/82/1193777482.db2.gz HHSSCMMUGVNJBR-RBUKOAKNSA-N 2 1 386.496 0.203 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000419270641 1193777957 /nfs/dbraw/zinc/77/79/57/1193777957.db2.gz REJIWXXZPSZIAM-UHFFFAOYSA-N 2 1 388.512 0.593 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000512814060 1193778193 /nfs/dbraw/zinc/77/81/93/1193778193.db2.gz KLJOVYUDHRWBJD-LJQANCHMSA-N 2 1 381.565 0.646 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419272691 1193779071 /nfs/dbraw/zinc/77/90/71/1193779071.db2.gz VUKGLDCRKGZYNQ-QFBILLFUSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@@H]1C[NH3+] ZINC000419275540 1193779589 /nfs/dbraw/zinc/77/95/89/1193779589.db2.gz YWZNGKSGQYNNQQ-APWZRJJASA-N 2 1 388.512 0.578 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000512836709 1193786051 /nfs/dbraw/zinc/78/60/51/1193786051.db2.gz BGTMKJRPJIMPER-IBGZPJMESA-N 2 1 381.565 0.646 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419298605 1193792430 /nfs/dbraw/zinc/79/24/30/1193792430.db2.gz IMOYGSCGSSOPTO-PBHICJAKSA-N 2 1 391.422 0.848 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(CCC[NH3+])Cc1ccccc1)C[NH+]1CCOCC1 ZINC000419305333 1193797074 /nfs/dbraw/zinc/79/70/74/1193797074.db2.gz WLPQWVHMUDVYJS-QGZVFWFLSA-N 2 1 376.501 0.449 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000419306609 1193799690 /nfs/dbraw/zinc/79/96/90/1193799690.db2.gz YHWHVIJZWKDKLF-KZNAEPCWSA-N 2 1 380.533 0.452 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324810 1193807413 /nfs/dbraw/zinc/80/74/13/1193807413.db2.gz CPRJCXMATSXKQZ-ZWKOTPCHSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324810 1193807418 /nfs/dbraw/zinc/80/74/18/1193807418.db2.gz CPRJCXMATSXKQZ-ZWKOTPCHSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CCCO1 ZINC000433324810 1193807423 /nfs/dbraw/zinc/80/74/23/1193807423.db2.gz CPRJCXMATSXKQZ-ZWKOTPCHSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CCCO1 ZINC000433330713 1193808213 /nfs/dbraw/zinc/80/82/13/1193808213.db2.gz CTSBAFYMKKCWPO-KRWDZBQOSA-N 2 1 397.564 0.729 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120747 1193813104 /nfs/dbraw/zinc/81/31/04/1193813104.db2.gz IDRNMTDWCVXEOM-NVXWUHKLSA-N 2 1 386.562 0.510 20 0 GCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000576227198 1193822628 /nfs/dbraw/zinc/82/26/28/1193822628.db2.gz KIUNJHOTOOQVSX-IAGOWNOFSA-N 2 1 391.516 0.375 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000419331281 1193824614 /nfs/dbraw/zinc/82/46/14/1193824614.db2.gz GVLLKSVWIKIMMO-KRWDZBQOSA-N 2 1 389.544 0.412 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395942 1193824970 /nfs/dbraw/zinc/82/49/70/1193824970.db2.gz BUQCVPOYUFANBO-DLBZAZTESA-N 2 1 383.537 0.374 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395942 1193824974 /nfs/dbraw/zinc/82/49/74/1193824974.db2.gz BUQCVPOYUFANBO-DLBZAZTESA-N 2 1 383.537 0.374 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CCCO1 ZINC000433395942 1193824977 /nfs/dbraw/zinc/82/49/77/1193824977.db2.gz BUQCVPOYUFANBO-DLBZAZTESA-N 2 1 383.537 0.374 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419334195 1193826504 /nfs/dbraw/zinc/82/65/04/1193826504.db2.gz GOHNQQNONDNEEE-CALCHBBNSA-N 2 1 390.528 0.560 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH3+])cc2)CC1 ZINC000419346104 1193841950 /nfs/dbraw/zinc/84/19/50/1193841950.db2.gz UWLSFRKACUCNSX-MRXNPFEDSA-N 2 1 375.517 0.151 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000433451001 1193842470 /nfs/dbraw/zinc/84/24/70/1193842470.db2.gz AUAGZTGDVDDITD-IRXDYDNUSA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000433451001 1193842473 /nfs/dbraw/zinc/84/24/73/1193842473.db2.gz AUAGZTGDVDDITD-IRXDYDNUSA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000433451001 1193842474 /nfs/dbraw/zinc/84/24/74/1193842474.db2.gz AUAGZTGDVDDITD-IRXDYDNUSA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@@H](C)C1 ZINC000433451001 1193842478 /nfs/dbraw/zinc/84/24/78/1193842478.db2.gz AUAGZTGDVDDITD-IRXDYDNUSA-N 2 1 384.521 0.766 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419350829 1193845431 /nfs/dbraw/zinc/84/54/31/1193845431.db2.gz ZTRSCBCDCCASQB-LJQANCHMSA-N 2 1 387.528 0.309 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419353557 1193848495 /nfs/dbraw/zinc/84/84/95/1193848495.db2.gz JVUHEJSLRWHYEG-RHSMWYFYSA-N 2 1 398.454 0.221 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433457643 1193861077 /nfs/dbraw/zinc/86/10/77/1193861077.db2.gz QEFKGOXLXSJFNP-GOSISDBHSA-N 2 1 397.564 0.683 20 0 GCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419366469 1193868011 /nfs/dbraw/zinc/86/80/11/1193868011.db2.gz YVGVNKLDLYHZDU-GOSISDBHSA-N 2 1 388.516 0.050 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387743 1193897090 /nfs/dbraw/zinc/89/70/90/1193897090.db2.gz CYLLVGHYSFXRPF-ZWKOTPCHSA-N 2 1 390.553 0.931 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387743 1193897093 /nfs/dbraw/zinc/89/70/93/1193897093.db2.gz CYLLVGHYSFXRPF-ZWKOTPCHSA-N 2 1 390.553 0.931 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387738 1193897387 /nfs/dbraw/zinc/89/73/87/1193897387.db2.gz CYLLVGHYSFXRPF-QZTJIDSGSA-N 2 1 390.553 0.931 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387738 1193897394 /nfs/dbraw/zinc/89/73/94/1193897394.db2.gz CYLLVGHYSFXRPF-QZTJIDSGSA-N 2 1 390.553 0.931 20 0 GCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000419385927 1193897916 /nfs/dbraw/zinc/89/79/16/1193897916.db2.gz CVIAEVYGGLEDQH-UHFFFAOYSA-N 2 1 388.512 0.517 20 0 GCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)NCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000419385927 1193897920 /nfs/dbraw/zinc/89/79/20/1193897920.db2.gz CVIAEVYGGLEDQH-UHFFFAOYSA-N 2 1 388.512 0.517 20 0 GCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389551 1193898928 /nfs/dbraw/zinc/89/89/28/1193898928.db2.gz FMRABUMXJYFGRY-SQNIBIBYSA-N 2 1 390.553 0.964 20 0 GCADMP [NH3+]C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389551 1193898931 /nfs/dbraw/zinc/89/89/31/1193898931.db2.gz FMRABUMXJYFGRY-SQNIBIBYSA-N 2 1 390.553 0.964 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCN1 ZINC000419388967 1193900174 /nfs/dbraw/zinc/90/01/74/1193900174.db2.gz KUYIPRSWESLTEI-COXVUDFISA-N 2 1 394.903 0.648 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCN1 ZINC000419388970 1193900326 /nfs/dbraw/zinc/90/03/26/1193900326.db2.gz KUYIPRSWESLTEI-JQFCIGGWSA-N 2 1 394.903 0.648 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419391478 1193905065 /nfs/dbraw/zinc/90/50/65/1193905065.db2.gz HLKGNAOYGNZMCJ-RDJZCZTQSA-N 2 1 378.542 0.692 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419391478 1193905066 /nfs/dbraw/zinc/90/50/66/1193905066.db2.gz HLKGNAOYGNZMCJ-RDJZCZTQSA-N 2 1 378.542 0.692 20 0 GCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000513219084 1193923209 /nfs/dbraw/zinc/92/32/09/1193923209.db2.gz NONGGUNBSFCLKC-HUUCEWRRSA-N 2 1 379.505 0.287 20 0 GCADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)O1 ZINC000261753973 1193925405 /nfs/dbraw/zinc/92/54/05/1193925405.db2.gz LIWHBLRSKJFMBR-MSOLQXFVSA-N 2 1 390.484 0.470 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000263113279 1193962154 /nfs/dbraw/zinc/96/21/54/1193962154.db2.gz FEKVQDHLRUCWOX-IBGZPJMESA-N 2 1 389.500 0.041 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398952 1194019300 /nfs/dbraw/zinc/01/93/00/1194019300.db2.gz IUQYPOMNOYILNC-ROUUACIJSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398952 1194019305 /nfs/dbraw/zinc/01/93/05/1194019305.db2.gz IUQYPOMNOYILNC-ROUUACIJSA-N 2 1 390.553 0.836 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419400632 1194019353 /nfs/dbraw/zinc/01/93/53/1194019353.db2.gz MWRVQDXVOWUDAK-CGTJXYLNSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419400632 1194019356 /nfs/dbraw/zinc/01/93/56/1194019356.db2.gz MWRVQDXVOWUDAK-CGTJXYLNSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402093 1194020443 /nfs/dbraw/zinc/02/04/43/1194020443.db2.gz QEIUFXUAVHQNRA-KBAYOESNSA-N 2 1 390.553 0.977 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402093 1194020444 /nfs/dbraw/zinc/02/04/44/1194020444.db2.gz QEIUFXUAVHQNRA-KBAYOESNSA-N 2 1 390.553 0.977 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404911 1194020784 /nfs/dbraw/zinc/02/07/84/1194020784.db2.gz UHLQJCCVOIITGN-IEBWSBKVSA-N 2 1 387.528 0.035 20 0 GCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419403106 1194020997 /nfs/dbraw/zinc/02/09/97/1194020997.db2.gz RFDNZUYKGXOBRM-GOSISDBHSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419403106 1194020999 /nfs/dbraw/zinc/02/09/99/1194020999.db2.gz RFDNZUYKGXOBRM-GOSISDBHSA-N 2 1 390.553 0.979 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000419403416 1194021292 /nfs/dbraw/zinc/02/12/92/1194021292.db2.gz DOVMWQUPJMBQCE-UWWQBHOKSA-N 2 1 376.476 0.927 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419628 1194022362 /nfs/dbraw/zinc/02/23/62/1194022362.db2.gz SDRAOHSVLHXIAY-CEXWTWQISA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419628 1194022368 /nfs/dbraw/zinc/02/23/68/1194022368.db2.gz SDRAOHSVLHXIAY-CEXWTWQISA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419640 1194022602 /nfs/dbraw/zinc/02/26/02/1194022602.db2.gz SDRAOHSVLHXIAY-OTWHNJEPSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419640 1194022607 /nfs/dbraw/zinc/02/26/07/1194022607.db2.gz SDRAOHSVLHXIAY-OTWHNJEPSA-N 2 1 388.512 0.650 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419425551 1194026327 /nfs/dbraw/zinc/02/63/27/1194026327.db2.gz VZEPGKJABWPLMG-RBUKOAKNSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419425551 1194026336 /nfs/dbraw/zinc/02/63/36/1194026336.db2.gz VZEPGKJABWPLMG-RBUKOAKNSA-N 2 1 389.544 0.581 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419425551 1194026338 /nfs/dbraw/zinc/02/63/38/1194026338.db2.gz VZEPGKJABWPLMG-RBUKOAKNSA-N 2 1 389.544 0.581 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427551 1194026493 /nfs/dbraw/zinc/02/64/93/1194026493.db2.gz ZFDBBASXXXRLMP-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427551 1194026498 /nfs/dbraw/zinc/02/64/98/1194026498.db2.gz ZFDBBASXXXRLMP-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000419427551 1194026501 /nfs/dbraw/zinc/02/65/01/1194026501.db2.gz ZFDBBASXXXRLMP-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427178 1194027601 /nfs/dbraw/zinc/02/76/01/1194027601.db2.gz YTUZSNOGOCLUBF-RBUKOAKNSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427178 1194027606 /nfs/dbraw/zinc/02/76/06/1194027606.db2.gz YTUZSNOGOCLUBF-RBUKOAKNSA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000419427178 1194027610 /nfs/dbraw/zinc/02/76/10/1194027610.db2.gz YTUZSNOGOCLUBF-RBUKOAKNSA-N 2 1 387.528 0.335 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409573 1194029039 /nfs/dbraw/zinc/02/90/39/1194029039.db2.gz FIHHJDFJJPHHHM-GBESFXJTSA-N 2 1 388.512 0.603 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409573 1194029043 /nfs/dbraw/zinc/02/90/43/1194029043.db2.gz FIHHJDFJJPHHHM-GBESFXJTSA-N 2 1 388.512 0.603 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419412888 1194029795 /nfs/dbraw/zinc/02/97/95/1194029795.db2.gz DRJIIXREDUZBCY-UXHICEINSA-N 2 1 399.539 0.131 20 0 GCADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419411243 1194029945 /nfs/dbraw/zinc/02/99/45/1194029945.db2.gz BIOQBQGHTKFNQM-GOSISDBHSA-N 2 1 390.528 0.355 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411951 1194030173 /nfs/dbraw/zinc/03/01/73/1194030173.db2.gz CJHGETAAOQRYBA-OALUTQOASA-N 2 1 387.528 0.335 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411951 1194030177 /nfs/dbraw/zinc/03/01/77/1194030177.db2.gz CJHGETAAOQRYBA-OALUTQOASA-N 2 1 387.528 0.335 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000419411951 1194030181 /nfs/dbraw/zinc/03/01/81/1194030181.db2.gz CJHGETAAOQRYBA-OALUTQOASA-N 2 1 387.528 0.335 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419413380 1194030259 /nfs/dbraw/zinc/03/02/59/1194030259.db2.gz FLIGFYDSBCWKFL-LJQANCHMSA-N 2 1 389.544 0.549 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419413380 1194030266 /nfs/dbraw/zinc/03/02/66/1194030266.db2.gz FLIGFYDSBCWKFL-LJQANCHMSA-N 2 1 389.544 0.549 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419413380 1194030271 /nfs/dbraw/zinc/03/02/71/1194030271.db2.gz FLIGFYDSBCWKFL-LJQANCHMSA-N 2 1 389.544 0.549 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416641 1194031162 /nfs/dbraw/zinc/03/11/62/1194031162.db2.gz OVJCCUKSUYOCKU-DLBZAZTESA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416641 1194031166 /nfs/dbraw/zinc/03/11/66/1194031166.db2.gz OVJCCUKSUYOCKU-DLBZAZTESA-N 2 1 376.501 0.636 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000419414859 1194031255 /nfs/dbraw/zinc/03/12/55/1194031255.db2.gz HHFMNHHOLIIRJH-RBUKOAKNSA-N 2 1 387.528 0.302 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000419414859 1194031259 /nfs/dbraw/zinc/03/12/59/1194031259.db2.gz HHFMNHHOLIIRJH-RBUKOAKNSA-N 2 1 387.528 0.302 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000419414859 1194031262 /nfs/dbraw/zinc/03/12/62/1194031262.db2.gz HHFMNHHOLIIRJH-RBUKOAKNSA-N 2 1 387.528 0.302 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419455393 1194033415 /nfs/dbraw/zinc/03/34/15/1194033415.db2.gz WTBJQAYUSOHWDS-IEBWSBKVSA-N 2 1 387.528 0.653 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000419445687 1194035627 /nfs/dbraw/zinc/03/56/27/1194035627.db2.gz FBQXQFPRVNGGOO-FGTMMUONSA-N 2 1 387.528 0.557 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419448532 1194036499 /nfs/dbraw/zinc/03/64/99/1194036499.db2.gz IYZBWDGMKOJBAH-KZNAEPCWSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)C1CC[NH2+]CC1 ZINC000419452650 1194037540 /nfs/dbraw/zinc/03/75/40/1194037540.db2.gz PQFCSBJCCCWSEE-QGZVFWFLSA-N 2 1 387.528 0.524 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419451280 1194037714 /nfs/dbraw/zinc/03/77/14/1194037714.db2.gz NAUMDQMGMNPMLG-DLBZAZTESA-N 2 1 380.464 0.163 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419480883 1194040782 /nfs/dbraw/zinc/04/07/82/1194040782.db2.gz NSUWMOALMNTTKX-IAGOWNOFSA-N 2 1 395.548 0.071 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419502449 1194046167 /nfs/dbraw/zinc/04/61/67/1194046167.db2.gz FPRNUDPUMIHDLZ-FUHWJXTLSA-N 2 1 375.517 0.413 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501241 1194046310 /nfs/dbraw/zinc/04/63/10/1194046310.db2.gz AZCQAICUWXVDLA-RBUKOAKNSA-N 2 1 388.512 0.857 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505647 1194046676 /nfs/dbraw/zinc/04/66/76/1194046676.db2.gz MEEIEYMJUWUDAP-DLBZAZTESA-N 2 1 375.517 0.285 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419509893 1194048367 /nfs/dbraw/zinc/04/83/67/1194048367.db2.gz SPDVXRNIDYZMIZ-LMMKCTJWSA-N 2 1 387.528 0.509 20 0 GCADMP COc1ccc(COC[C@H](O)C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000501053094 1194048776 /nfs/dbraw/zinc/04/87/76/1194048776.db2.gz MSBDXIHELQXJMQ-LJQANCHMSA-N 2 1 394.512 0.732 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C[NH3+])C1 ZINC000419530679 1194049586 /nfs/dbraw/zinc/04/95/86/1194049586.db2.gz JWUCVUPBEMHUEJ-GDAAHCPNSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512604 1194050811 /nfs/dbraw/zinc/05/08/11/1194050811.db2.gz XJPKOCDAQVYXNC-FGTMMUONSA-N 2 1 387.528 0.509 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511076 1194050930 /nfs/dbraw/zinc/05/09/30/1194050930.db2.gz VAUFKEZMMSGCMU-QZTJIDSGSA-N 2 1 389.544 0.947 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513637 1194051067 /nfs/dbraw/zinc/05/10/67/1194051067.db2.gz ZQTCOZDPWSSDAA-PKOBYXMFSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512935 1194051126 /nfs/dbraw/zinc/05/11/26/1194051126.db2.gz YHBDAUKJVXIUPX-SCTDSRPQSA-N 2 1 385.512 0.134 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000419515289 1194051596 /nfs/dbraw/zinc/05/15/96/1194051596.db2.gz RCDUEFMVZGICAM-GVDBMIGSSA-N 2 1 392.500 0.806 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+]2CCCC2)o1 ZINC000419516752 1194052618 /nfs/dbraw/zinc/05/26/18/1194052618.db2.gz UWJDNORSGGLPNL-HOTGVXAUSA-N 2 1 378.473 0.336 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419522751 1194053612 /nfs/dbraw/zinc/05/36/12/1194053612.db2.gz NJRKIIDYZCBVQX-IAGOWNOFSA-N 2 1 395.548 0.069 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419522756 1194053671 /nfs/dbraw/zinc/05/36/71/1194053671.db2.gz NJRKIIDYZCBVQX-SJORKVTESA-N 2 1 395.548 0.069 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000419557798 1194054504 /nfs/dbraw/zinc/05/45/04/1194054504.db2.gz LQXBSCUMBPOMMT-ZBFHGGJFSA-N 2 1 382.530 0.599 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000419536749 1194055271 /nfs/dbraw/zinc/05/52/71/1194055271.db2.gz MLYLYOZQYHEHTA-ZWKOTPCHSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419547824 1194056799 /nfs/dbraw/zinc/05/67/99/1194056799.db2.gz RYFDVQJTFYHCAB-JQHSSLGASA-N 2 1 376.501 0.618 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000419549850 1194057602 /nfs/dbraw/zinc/05/76/02/1194057602.db2.gz VWJOVUORZOIQPY-YTQUADARSA-N 2 1 390.528 0.926 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419549196 1194057866 /nfs/dbraw/zinc/05/78/66/1194057866.db2.gz VEPOFKDKDLJXPM-QZTJIDSGSA-N 2 1 376.501 0.680 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000419581549 1194060294 /nfs/dbraw/zinc/06/02/94/1194060294.db2.gz IKBLTCQIMPHODJ-ZOCIIQOWSA-N 2 1 388.512 0.856 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000419581546 1194060453 /nfs/dbraw/zinc/06/04/53/1194060453.db2.gz IKBLTCQIMPHODJ-JVPBZIDWSA-N 2 1 388.512 0.856 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419563526 1194061689 /nfs/dbraw/zinc/06/16/89/1194061689.db2.gz MGMBTPJLVVWBAP-KRWDZBQOSA-N 2 1 395.548 0.117 20 0 GCADMP C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000419565654 1194061990 /nfs/dbraw/zinc/06/19/90/1194061990.db2.gz ZXHYYNRAEAGYDI-PNBKFKSVSA-N 2 1 376.526 0.925 20 0 GCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NCCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000419585574 1194065694 /nfs/dbraw/zinc/06/56/94/1194065694.db2.gz GDMYHVBEFLHKOO-BBWFWOEESA-N 2 1 390.528 0.775 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419656812 1194074808 /nfs/dbraw/zinc/07/48/08/1194074808.db2.gz IZXUNSIRCAYBSO-AEFFLSMTSA-N 2 1 376.501 0.508 20 0 GCADMP CC(C)([NH3+])CNC(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419698046 1194086710 /nfs/dbraw/zinc/08/67/10/1194086710.db2.gz YFIJODVSZXCORT-UHFFFAOYSA-N 2 1 389.544 0.554 20 0 GCADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419735402 1194088491 /nfs/dbraw/zinc/08/84/91/1194088491.db2.gz QHFZCNLKRQAUKZ-OTWHNJEPSA-N 2 1 392.544 0.864 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C1CC1 ZINC000419717116 1194091593 /nfs/dbraw/zinc/09/15/93/1194091593.db2.gz AMICZTRCYTZWRL-KRWDZBQOSA-N 2 1 380.439 0.899 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000419717584 1194091754 /nfs/dbraw/zinc/09/17/54/1194091754.db2.gz BQMUEFNDCRWUIY-OAHLLOKOSA-N 2 1 380.439 0.866 20 0 GCADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419721856 1194092652 /nfs/dbraw/zinc/09/26/52/1194092652.db2.gz LGDCMPMZWWOHBU-KDOFPFPSSA-N 2 1 392.450 0.866 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000419725205 1194093558 /nfs/dbraw/zinc/09/35/58/1194093558.db2.gz RHQVBVOLGAFYCX-CQSZACIVSA-N 2 1 380.439 0.995 20 0 GCADMP COc1cc(NC(=O)C(=O)NCC[N@H+]2CC=CCC2)ccc1OCC[NH+](C)C ZINC000419739354 1194093951 /nfs/dbraw/zinc/09/39/51/1194093951.db2.gz ZLJDXFZLONLFBI-UHFFFAOYSA-N 2 1 390.484 0.952 20 0 GCADMP COc1cc(NC(=O)C(=O)NCC[N@@H+]2CC=CCC2)ccc1OCC[NH+](C)C ZINC000419739354 1194093952 /nfs/dbraw/zinc/09/39/52/1194093952.db2.gz ZLJDXFZLONLFBI-UHFFFAOYSA-N 2 1 390.484 0.952 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419754687 1194098054 /nfs/dbraw/zinc/09/80/54/1194098054.db2.gz BQQDPEZMUBWCTE-CGTJXYLNSA-N 2 1 376.476 0.960 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419758245 1194098486 /nfs/dbraw/zinc/09/84/86/1194098486.db2.gz JRDKZIMUUNYDJR-XYJFISCASA-N 2 1 376.476 0.878 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000419761150 1194099049 /nfs/dbraw/zinc/09/90/49/1194099049.db2.gz PCXPRWBKXAMKPH-IRXDYDNUSA-N 2 1 380.464 0.338 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C[NH3+])C1 ZINC000419761146 1194099178 /nfs/dbraw/zinc/09/91/78/1194099178.db2.gz PCXPRWBKXAMKPH-DLBZAZTESA-N 2 1 380.464 0.338 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737929 1194099931 /nfs/dbraw/zinc/09/99/31/1194099931.db2.gz YJUGPAOBEJFLDA-ROUUACIJSA-N 2 1 376.501 0.763 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419772733 1194102653 /nfs/dbraw/zinc/10/26/53/1194102653.db2.gz ZCCNWGRKAJCPSX-RBUKOAKNSA-N 2 1 388.512 0.589 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)C1CC1 ZINC000419772729 1194102810 /nfs/dbraw/zinc/10/28/10/1194102810.db2.gz ZCCNWGRKAJCPSX-OALUTQOASA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)C[C@@H](C)O1 ZINC000419800801 1194106286 /nfs/dbraw/zinc/10/62/86/1194106286.db2.gz AJGBUXOOFBVBBL-CLCXKQKWSA-N 2 1 388.512 0.766 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419819037 1194109241 /nfs/dbraw/zinc/10/92/41/1194109241.db2.gz LQOXUHZJNYWNAI-IYBDPMFKSA-N 2 1 376.501 0.638 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419819037 1194109244 /nfs/dbraw/zinc/10/92/44/1194109244.db2.gz LQOXUHZJNYWNAI-IYBDPMFKSA-N 2 1 376.501 0.638 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCCO1 ZINC000419815131 1194112960 /nfs/dbraw/zinc/11/29/60/1194112960.db2.gz KTUOJGHMCBDICW-JKSUJKDBSA-N 2 1 378.473 0.499 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419815210 1194113014 /nfs/dbraw/zinc/11/30/14/1194113014.db2.gz JKJDTIUKQIEKGJ-JTDSTZFVSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419815210 1194113017 /nfs/dbraw/zinc/11/30/17/1194113017.db2.gz JKJDTIUKQIEKGJ-JTDSTZFVSA-N 2 1 388.512 0.780 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCCO1 ZINC000419815116 1194113141 /nfs/dbraw/zinc/11/31/41/1194113141.db2.gz KTUOJGHMCBDICW-CVEARBPZSA-N 2 1 378.473 0.499 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419848190 1194113765 /nfs/dbraw/zinc/11/37/65/1194113765.db2.gz UCLPRFMNSFPILT-ROUUACIJSA-N 3 1 381.565 0.508 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419827918 1194115202 /nfs/dbraw/zinc/11/52/02/1194115202.db2.gz RTASNQZKNMREKU-BZUAXINKSA-N 2 1 376.501 0.623 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419827924 1194115328 /nfs/dbraw/zinc/11/53/28/1194115328.db2.gz RTASNQZKNMREKU-OAGGEKHMSA-N 2 1 376.501 0.623 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419827924 1194115330 /nfs/dbraw/zinc/11/53/30/1194115330.db2.gz RTASNQZKNMREKU-OAGGEKHMSA-N 2 1 376.501 0.623 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419832214 1194115805 /nfs/dbraw/zinc/11/58/05/1194115805.db2.gz VMAPZRZKGFGWFE-IAGOWNOFSA-N 2 1 390.528 0.980 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419830901 1194116047 /nfs/dbraw/zinc/11/60/47/1194116047.db2.gz UKXSFYZEDVNWGV-YESZJQIVSA-N 2 1 390.528 0.884 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419830901 1194116050 /nfs/dbraw/zinc/11/60/50/1194116050.db2.gz UKXSFYZEDVNWGV-YESZJQIVSA-N 2 1 390.528 0.884 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419839904 1194118951 /nfs/dbraw/zinc/11/89/51/1194118951.db2.gz YVUITUOTHQFIIP-FUHWJXTLSA-N 2 1 375.517 0.192 20 0 GCADMP O=C(N[C@H]1CCC[NH2+]C1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000419843523 1194119711 /nfs/dbraw/zinc/11/97/11/1194119711.db2.gz MVVHBKLIXWGPEN-SFHVURJKSA-N 2 1 389.500 0.001 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419857898 1194123185 /nfs/dbraw/zinc/12/31/85/1194123185.db2.gz VRELFINCPGNWAB-NRFANRHFSA-N 2 1 388.512 0.340 20 0 GCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863720 1194125800 /nfs/dbraw/zinc/12/58/00/1194125800.db2.gz IBMZJWFQSBOCQH-IEBWSBKVSA-N 2 1 387.528 0.350 20 0 GCADMP CN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419884547 1194132899 /nfs/dbraw/zinc/13/28/99/1194132899.db2.gz ODZHPVNWCDLKLW-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000419887098 1194133504 /nfs/dbraw/zinc/13/35/04/1194133504.db2.gz QGJHZOMVESGFIP-UHFFFAOYSA-N 2 1 379.549 0.122 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419898438 1194136905 /nfs/dbraw/zinc/13/69/05/1194136905.db2.gz ZTRRJQQSFFWTIQ-SFHVURJKSA-N 2 1 387.528 0.131 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419908623 1194141472 /nfs/dbraw/zinc/14/14/72/1194141472.db2.gz IXIWEDTUADXROO-MOPGFXCFSA-N 2 1 395.592 0.898 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419909905 1194142238 /nfs/dbraw/zinc/14/22/38/1194142238.db2.gz ZOEVMGCUICNFRC-ILOCAZANSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000419909905 1194142242 /nfs/dbraw/zinc/14/22/42/1194142242.db2.gz ZOEVMGCUICNFRC-ILOCAZANSA-N 2 1 380.533 0.591 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419942559 1194146453 /nfs/dbraw/zinc/14/64/53/1194146453.db2.gz GCFRTUGJMKJBHD-OXJNMPFZSA-N 2 1 376.501 0.054 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419984795 1194147418 /nfs/dbraw/zinc/14/74/18/1194147418.db2.gz AKHZPKBJFFHNET-QGZVFWFLSA-N 2 1 375.517 0.116 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419976998 1194151400 /nfs/dbraw/zinc/15/14/00/1194151400.db2.gz MGFVQLQPYBSUJM-FGTMMUONSA-N 2 1 394.560 0.840 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419981258 1194151814 /nfs/dbraw/zinc/15/18/14/1194151814.db2.gz TWTFHOTZLGDALU-RXVVDRJESA-N 2 1 390.528 0.571 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419992820 1194153807 /nfs/dbraw/zinc/15/38/07/1194153807.db2.gz IBPRQDONTQMKKE-PXNSSMCTSA-N 2 1 376.501 0.181 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419999552 1194155377 /nfs/dbraw/zinc/15/53/77/1194155377.db2.gz NAHYEWAYWPASTR-WIYYLYMNSA-N 2 1 388.512 0.340 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420023954 1194158368 /nfs/dbraw/zinc/15/83/68/1194158368.db2.gz AXVWYIPQJZRLJE-HOCLYGCPSA-N 2 1 390.484 0.989 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC[N@@H+]1CCOC ZINC000420034217 1194160980 /nfs/dbraw/zinc/16/09/80/1194160980.db2.gz JEAJMMLAWVQQKA-XHSDSOJGSA-N 2 1 384.521 0.175 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)CC[N@H+]1CCOC ZINC000420034217 1194160983 /nfs/dbraw/zinc/16/09/83/1194160983.db2.gz JEAJMMLAWVQQKA-XHSDSOJGSA-N 2 1 384.521 0.175 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019560 1194163066 /nfs/dbraw/zinc/16/30/66/1194163066.db2.gz RFJGANLNJUXOHW-QYZOEREBSA-N 2 1 395.592 0.882 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420043656 1194168252 /nfs/dbraw/zinc/16/82/52/1194168252.db2.gz OUDXQCBJFMGKIG-CYGHRXIMSA-N 2 1 380.533 0.578 20 0 GCADMP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420046375 1194168319 /nfs/dbraw/zinc/16/83/19/1194168319.db2.gz AAOGJNJDFBJKGB-SJORKVTESA-N 2 1 381.565 0.636 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420050876 1194170324 /nfs/dbraw/zinc/17/03/24/1194170324.db2.gz FYRPTANYGYYUTE-UHFFFAOYSA-N 2 1 381.565 0.511 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420074150 1194172754 /nfs/dbraw/zinc/17/27/54/1194172754.db2.gz QCZYQSGXSXVCPU-ZIFCJYIRSA-N 2 1 393.576 0.637 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000420074714 1194173298 /nfs/dbraw/zinc/17/32/98/1194173298.db2.gz IRQBKNJSRSHMON-UHFFFAOYSA-N 2 1 375.517 0.116 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)C[C@H](C)O1 ZINC000420082481 1194174431 /nfs/dbraw/zinc/17/44/31/1194174431.db2.gz JMHSDINNHZCIAB-FCEWJHQRSA-N 2 1 394.560 0.968 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420083738 1194175202 /nfs/dbraw/zinc/17/52/02/1194175202.db2.gz UNYUNLIVNSMZIA-CALCHBBNSA-N 2 1 381.565 0.637 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064866 1194176024 /nfs/dbraw/zinc/17/60/24/1194176024.db2.gz PAHGKZKIZHLCKP-ZSYWTGECSA-N 2 1 393.576 0.637 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420064865 1194176256 /nfs/dbraw/zinc/17/62/56/1194176256.db2.gz PAHGKZKIZHLCKP-RDGPPVDQSA-N 2 1 393.576 0.637 20 0 GCADMP C[C@H]1C[NH+](CCOC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420100353 1194177421 /nfs/dbraw/zinc/17/74/21/1194177421.db2.gz ZJHPRWNGDUXZKR-HOTGVXAUSA-N 2 1 396.532 0.101 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420114093 1194179928 /nfs/dbraw/zinc/17/99/28/1194179928.db2.gz FPTJGXVGXKETNX-BDXSIMOUSA-N 2 1 379.549 0.260 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000420115508 1194185439 /nfs/dbraw/zinc/18/54/39/1194185439.db2.gz FMYTYCMYTJGLEL-FGTMMUONSA-N 2 1 381.565 0.637 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000420161199 1194191220 /nfs/dbraw/zinc/19/12/20/1194191220.db2.gz JKBDWPKOXGXPNZ-DLBZAZTESA-N 2 1 382.549 0.840 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000420161199 1194191223 /nfs/dbraw/zinc/19/12/23/1194191223.db2.gz JKBDWPKOXGXPNZ-DLBZAZTESA-N 2 1 382.549 0.840 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000420142151 1194192424 /nfs/dbraw/zinc/19/24/24/1194192424.db2.gz ZVUSTYJQBBCRNQ-SJLPKXTDSA-N 2 1 388.512 0.986 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000420142151 1194192425 /nfs/dbraw/zinc/19/24/25/1194192425.db2.gz ZVUSTYJQBBCRNQ-SJLPKXTDSA-N 2 1 388.512 0.986 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000501584361 1194195544 /nfs/dbraw/zinc/19/55/44/1194195544.db2.gz LALLWXKRJIJIFZ-IKGGRYGDSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1C ZINC000501584361 1194195554 /nfs/dbraw/zinc/19/55/54/1194195554.db2.gz LALLWXKRJIJIFZ-IKGGRYGDSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@H]1C[NH+](CCC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000420177551 1194195686 /nfs/dbraw/zinc/19/56/86/1194195686.db2.gz SETXBCQHIWHAID-KBPBESRZSA-N 2 1 390.475 0.435 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589396 1194197933 /nfs/dbraw/zinc/19/79/33/1194197933.db2.gz PAGHOKQTXNDBQU-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420184716 1194198350 /nfs/dbraw/zinc/19/83/50/1194198350.db2.gz BAQYTMTTZRHGLT-QZTJIDSGSA-N 2 1 382.549 0.827 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000420184728 1194198589 /nfs/dbraw/zinc/19/85/89/1194198589.db2.gz BBBGCWNWLDVBII-ZWKOTPCHSA-N 2 1 387.528 0.511 20 0 GCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420198991 1194202404 /nfs/dbraw/zinc/20/24/04/1194202404.db2.gz MYRIHKUXCMUVJN-OALUTQOASA-N 2 1 388.512 0.462 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000420200258 1194202932 /nfs/dbraw/zinc/20/29/32/1194202932.db2.gz DSTIFRVSCZAHJU-BRSBDYLESA-N 2 1 380.533 0.450 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000420200258 1194202936 /nfs/dbraw/zinc/20/29/36/1194202936.db2.gz DSTIFRVSCZAHJU-BRSBDYLESA-N 2 1 380.533 0.450 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420206441 1194204916 /nfs/dbraw/zinc/20/49/16/1194204916.db2.gz JVYUVIVTWKXAQV-HSALFYBXSA-N 2 1 384.524 0.878 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1)CC(C)C ZINC000420205794 1194205342 /nfs/dbraw/zinc/20/53/42/1194205342.db2.gz SHCBFABJNNHXNV-GOSISDBHSA-N 2 1 382.549 0.698 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420188519 1194205834 /nfs/dbraw/zinc/20/58/34/1194205834.db2.gz NALLDAOBBNWZTR-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1)CC1CC1 ZINC000420187763 1194206423 /nfs/dbraw/zinc/20/64/23/1194206423.db2.gz BXLRIFQAAVKNFQ-GOSISDBHSA-N 2 1 380.533 0.452 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420222146 1194209651 /nfs/dbraw/zinc/20/96/51/1194209651.db2.gz RLZHMUQSBXTFEE-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420222146 1194209654 /nfs/dbraw/zinc/20/96/54/1194209654.db2.gz RLZHMUQSBXTFEE-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000420208445 1194211714 /nfs/dbraw/zinc/21/17/14/1194211714.db2.gz QZTZJAMIHCJBLI-ZIAGYGMSSA-N 2 1 394.438 0.343 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1C[C@H](C)O ZINC000501641536 1194217646 /nfs/dbraw/zinc/21/76/46/1194217646.db2.gz PPQQYUWYCIUDHY-QXAKKESOSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C[C@H](C)O ZINC000501641536 1194217653 /nfs/dbraw/zinc/21/76/53/1194217653.db2.gz PPQQYUWYCIUDHY-QXAKKESOSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C[C@H](C)O ZINC000501641536 1194217656 /nfs/dbraw/zinc/21/76/56/1194217656.db2.gz PPQQYUWYCIUDHY-QXAKKESOSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C[C@H](C)O ZINC000501641536 1194217660 /nfs/dbraw/zinc/21/76/60/1194217660.db2.gz PPQQYUWYCIUDHY-QXAKKESOSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501641922 1194218005 /nfs/dbraw/zinc/21/80/05/1194218005.db2.gz SDNPRMAMCURTDX-RVKKMQEKSA-N 2 1 378.517 0.202 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501651817 1194218546 /nfs/dbraw/zinc/21/85/46/1194218546.db2.gz YLEVNJDUKWASIQ-FUHWJXTLSA-N 2 1 394.560 0.840 20 0 GCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346431 1194222276 /nfs/dbraw/zinc/22/22/76/1194222276.db2.gz CTPYEFPVNWVNQF-HZPDHXFCSA-N 2 1 376.501 0.861 20 0 GCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346431 1194222279 /nfs/dbraw/zinc/22/22/79/1194222279.db2.gz CTPYEFPVNWVNQF-HZPDHXFCSA-N 2 1 376.501 0.861 20 0 GCADMP COc1ccc(CCNC(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347472 1194222559 /nfs/dbraw/zinc/22/25/59/1194222559.db2.gz GUVIBJZWOQVQQH-WMZOPIPTSA-N 2 1 390.528 0.731 20 0 GCADMP COc1ccc(CCNC(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC ZINC000420347471 1194222740 /nfs/dbraw/zinc/22/27/40/1194222740.db2.gz GUVIBJZWOQVQQH-SJLPKXTDSA-N 2 1 390.528 0.731 20 0 GCADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000420361283 1194224481 /nfs/dbraw/zinc/22/44/81/1194224481.db2.gz MAQKFYYSGKELMF-KRWDZBQOSA-N 2 1 394.541 0.497 20 0 GCADMP COCCn1c(N)c(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(=O)[nH]c1=O ZINC000501785119 1194230163 /nfs/dbraw/zinc/23/01/63/1194230163.db2.gz KGWZHMUTXXKKNS-UHFFFAOYSA-N 2 1 395.504 0.414 20 0 GCADMP CN(CC[N@@H+]1CCOC(C)(C)C1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000434124416 1194231602 /nfs/dbraw/zinc/23/16/02/1194231602.db2.gz OHXOSPHKCVWCOU-INIZCTEOSA-N 2 1 383.537 0.326 20 0 GCADMP CN(CC[N@H+]1CCOC(C)(C)C1)C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000434124416 1194231605 /nfs/dbraw/zinc/23/16/05/1194231605.db2.gz OHXOSPHKCVWCOU-INIZCTEOSA-N 2 1 383.537 0.326 20 0 GCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000434124416 1194231611 /nfs/dbraw/zinc/23/16/11/1194231611.db2.gz OHXOSPHKCVWCOU-INIZCTEOSA-N 2 1 383.537 0.326 20 0 GCADMP CN(CC[NH+]1CCOC(C)(C)C1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000434124416 1194231614 /nfs/dbraw/zinc/23/16/14/1194231614.db2.gz OHXOSPHKCVWCOU-INIZCTEOSA-N 2 1 383.537 0.326 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000501827334 1194232208 /nfs/dbraw/zinc/23/22/08/1194232208.db2.gz KPHWRQWMBIZOOF-ABSDTBQOSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000501827334 1194232212 /nfs/dbraw/zinc/23/22/12/1194232212.db2.gz KPHWRQWMBIZOOF-ABSDTBQOSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H](C)C1 ZINC000501827334 1194232218 /nfs/dbraw/zinc/23/22/18/1194232218.db2.gz KPHWRQWMBIZOOF-ABSDTBQOSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000647905591 1194237554 /nfs/dbraw/zinc/23/75/54/1194237554.db2.gz YOMSMNKBRUWNGE-CABCVRRESA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000647905591 1194237556 /nfs/dbraw/zinc/23/75/56/1194237556.db2.gz YOMSMNKBRUWNGE-CABCVRRESA-N 2 1 398.504 0.328 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000647907943 1194282493 /nfs/dbraw/zinc/28/24/93/1194282493.db2.gz VSXKQDGQMAFLHA-SIUPPRGNSA-N 2 1 394.541 0.440 20 0 GCADMP C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000421125053 1194297061 /nfs/dbraw/zinc/29/70/61/1194297061.db2.gz GONHZRRHRPTCNV-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000421125053 1194297065 /nfs/dbraw/zinc/29/70/65/1194297065.db2.gz GONHZRRHRPTCNV-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000421125053 1194297069 /nfs/dbraw/zinc/29/70/69/1194297069.db2.gz GONHZRRHRPTCNV-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000421125053 1194297073 /nfs/dbraw/zinc/29/70/73/1194297073.db2.gz GONHZRRHRPTCNV-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000421125053 1194297080 /nfs/dbraw/zinc/29/70/80/1194297080.db2.gz GONHZRRHRPTCNV-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000421292094 1194323910 /nfs/dbraw/zinc/32/39/10/1194323910.db2.gz AAHWEYCZXUCTEP-IBGZPJMESA-N 2 1 387.528 0.925 20 0 GCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000549955977 1194357143 /nfs/dbraw/zinc/35/71/43/1194357143.db2.gz GZAQXOGMWFBZAP-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000549955977 1194357146 /nfs/dbraw/zinc/35/71/46/1194357146.db2.gz GZAQXOGMWFBZAP-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000422098305 1194384108 /nfs/dbraw/zinc/38/41/08/1194384108.db2.gz BTYQFTBINZQBKT-LJQANCHMSA-N 2 1 394.560 0.890 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422101230 1194385182 /nfs/dbraw/zinc/38/51/82/1194385182.db2.gz FHRRPXZTXDOUKP-SFHVURJKSA-N 2 1 398.548 0.125 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)NCC3=CC[N@@H+](C)CC3)c2)CC1 ZINC000271847255 1194417233 /nfs/dbraw/zinc/41/72/33/1194417233.db2.gz GWEBJMDFBRDVEY-UHFFFAOYSA-N 2 1 385.512 0.751 20 0 GCADMP C[N@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000271880303 1194420289 /nfs/dbraw/zinc/42/02/89/1194420289.db2.gz LIROLBDTBSJJLO-UHFFFAOYSA-N 2 1 386.496 0.878 20 0 GCADMP C[N@@H+]1CC=C(CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CC1 ZINC000271880303 1194420293 /nfs/dbraw/zinc/42/02/93/1194420293.db2.gz LIROLBDTBSJJLO-UHFFFAOYSA-N 2 1 386.496 0.878 20 0 GCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422299931 1194608618 /nfs/dbraw/zinc/60/86/18/1194608618.db2.gz SVIDNBCJWPRTMC-GOSISDBHSA-N 2 1 395.592 0.852 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000503262724 1194609513 /nfs/dbraw/zinc/60/95/13/1194609513.db2.gz LOSAUVWFMXUZEC-UHFFFAOYSA-N 2 1 377.489 0.959 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000422320395 1194613021 /nfs/dbraw/zinc/61/30/21/1194613021.db2.gz VMYPDKAYQOXGDZ-INIZCTEOSA-N 2 1 381.546 0.000 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000422325502 1194614730 /nfs/dbraw/zinc/61/47/30/1194614730.db2.gz KEIAGIWOAMLBKO-KURKYZTESA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000422325502 1194614734 /nfs/dbraw/zinc/61/47/34/1194614734.db2.gz KEIAGIWOAMLBKO-KURKYZTESA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000422325502 1194614736 /nfs/dbraw/zinc/61/47/36/1194614736.db2.gz KEIAGIWOAMLBKO-KURKYZTESA-N 2 1 382.549 0.792 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000422378180 1194627138 /nfs/dbraw/zinc/62/71/38/1194627138.db2.gz LTGJEBPEGKMURP-MOPGFXCFSA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000422378180 1194627141 /nfs/dbraw/zinc/62/71/41/1194627141.db2.gz LTGJEBPEGKMURP-MOPGFXCFSA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000422378180 1194627145 /nfs/dbraw/zinc/62/71/45/1194627145.db2.gz LTGJEBPEGKMURP-MOPGFXCFSA-N 2 1 388.512 0.422 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)CC2)CC1 ZINC000422425957 1194637954 /nfs/dbraw/zinc/63/79/54/1194637954.db2.gz NKCZZWCTHAUPFT-HKUYNNGSSA-N 2 1 393.576 0.604 20 0 GCADMP COc1cc[nH+]c(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000422486393 1194655298 /nfs/dbraw/zinc/65/52/98/1194655298.db2.gz GTXQGHCVIJGNBC-INIZCTEOSA-N 2 1 389.500 0.587 20 0 GCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547344 1194668509 /nfs/dbraw/zinc/66/85/09/1194668509.db2.gz WNTNFSTXTCCQIV-GHTZIAJQSA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000422547344 1194668512 /nfs/dbraw/zinc/66/85/12/1194668512.db2.gz WNTNFSTXTCCQIV-GHTZIAJQSA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000422547344 1194668513 /nfs/dbraw/zinc/66/85/13/1194668513.db2.gz WNTNFSTXTCCQIV-GHTZIAJQSA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638474 1194702531 /nfs/dbraw/zinc/70/25/31/1194702531.db2.gz YXUFHQUKXDARBD-IAGOWNOFSA-N 2 1 377.485 0.867 20 0 GCADMP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C(=O)NCC[NH+]3CCC3)c2)CC1 ZINC000503655875 1194704436 /nfs/dbraw/zinc/70/44/36/1194704436.db2.gz WETRQXWGYDWCPQ-UHFFFAOYSA-N 2 1 387.484 0.144 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000422975340 1194714774 /nfs/dbraw/zinc/71/47/74/1194714774.db2.gz SOCYCDZOYQBFRP-NZSAHSFTSA-N 2 1 388.512 0.810 20 0 GCADMP CCOc1ccnc(N2CCC[N@@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000414711338 1194716951 /nfs/dbraw/zinc/71/69/51/1194716951.db2.gz RFXHUDQNYBUOEK-MRXNPFEDSA-N 2 1 376.505 0.585 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000423013844 1194717269 /nfs/dbraw/zinc/71/72/69/1194717269.db2.gz NMOJSUFAGYEMRF-FUHWJXTLSA-N 2 1 376.476 0.879 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)cc1 ZINC000423046237 1194718459 /nfs/dbraw/zinc/71/84/59/1194718459.db2.gz FFJNRGZRLBVTEE-UHFFFAOYSA-N 2 1 388.512 0.940 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)cc1 ZINC000423046237 1194718461 /nfs/dbraw/zinc/71/84/61/1194718461.db2.gz FFJNRGZRLBVTEE-UHFFFAOYSA-N 2 1 388.512 0.940 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)cc1 ZINC000423046935 1194718993 /nfs/dbraw/zinc/71/89/93/1194718993.db2.gz GIQNIMKMONKQBN-IAGOWNOFSA-N 2 1 388.512 0.938 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)cc1 ZINC000423046935 1194718995 /nfs/dbraw/zinc/71/89/95/1194718995.db2.gz GIQNIMKMONKQBN-IAGOWNOFSA-N 2 1 388.512 0.938 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000423050346 1194722007 /nfs/dbraw/zinc/72/20/07/1194722007.db2.gz LPDDTVUVZUXDRC-AEFFLSMTSA-N 2 1 388.512 0.925 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000423050346 1194722008 /nfs/dbraw/zinc/72/20/08/1194722008.db2.gz LPDDTVUVZUXDRC-AEFFLSMTSA-N 2 1 388.512 0.925 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423117550 1194727855 /nfs/dbraw/zinc/72/78/55/1194727855.db2.gz VXQPEGHLZVFXEV-RDJZCZTQSA-N 2 1 376.526 0.645 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423128169 1194729732 /nfs/dbraw/zinc/72/97/32/1194729732.db2.gz KLIMGLWXVBVWHZ-SZMVWBNQSA-N 2 1 379.549 0.057 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423128169 1194729735 /nfs/dbraw/zinc/72/97/35/1194729735.db2.gz KLIMGLWXVBVWHZ-SZMVWBNQSA-N 2 1 379.549 0.057 20 0 GCADMP CN(C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423142713 1194733356 /nfs/dbraw/zinc/73/33/56/1194733356.db2.gz BINGFWFELKOCLZ-MOPGFXCFSA-N 2 1 388.512 0.686 20 0 GCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423182808 1194733609 /nfs/dbraw/zinc/73/36/09/1194733609.db2.gz FNYKHPKUSUMORA-MRXNPFEDSA-N 2 1 394.438 0.297 20 0 GCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423210831 1194737467 /nfs/dbraw/zinc/73/74/67/1194737467.db2.gz XRPXDYHQBIIHOV-ZIFCJYIRSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423205608 1194739212 /nfs/dbraw/zinc/73/92/12/1194739212.db2.gz FEJUNJGGASSSPD-OTWHNJEPSA-N 2 1 393.576 0.591 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000423203643 1194739230 /nfs/dbraw/zinc/73/92/30/1194739230.db2.gz CSEVIGWHOSKNNX-AKHDSKFASA-N 2 1 393.576 0.447 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423219388 1194741194 /nfs/dbraw/zinc/74/11/94/1194741194.db2.gz WKXKENYDPOJZDP-OTWHNJEPSA-N 2 1 395.592 0.835 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423260911 1194742831 /nfs/dbraw/zinc/74/28/31/1194742831.db2.gz ISANVUXWFLARRX-GOSISDBHSA-N 2 1 388.512 0.686 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423260911 1194742834 /nfs/dbraw/zinc/74/28/34/1194742834.db2.gz ISANVUXWFLARRX-GOSISDBHSA-N 2 1 388.512 0.686 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000423258757 1194744387 /nfs/dbraw/zinc/74/43/87/1194744387.db2.gz CGDVIJOCWXOWHR-IBGZPJMESA-N 2 1 387.528 0.083 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]CC4)CC2)CCO1 ZINC000414730185 1194745364 /nfs/dbraw/zinc/74/53/64/1194745364.db2.gz AESDPGBLUYXUFM-OAHLLOKOSA-N 2 1 386.496 0.983 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000423370988 1194750412 /nfs/dbraw/zinc/75/04/12/1194750412.db2.gz ABPNXVCZPPCPOL-MRXNPFEDSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423382270 1194752433 /nfs/dbraw/zinc/75/24/33/1194752433.db2.gz OFHMPWIDJRIGQP-CGTJXYLNSA-N 2 1 376.476 0.877 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423382270 1194752436 /nfs/dbraw/zinc/75/24/36/1194752436.db2.gz OFHMPWIDJRIGQP-CGTJXYLNSA-N 2 1 376.476 0.877 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000423386648 1194752977 /nfs/dbraw/zinc/75/29/77/1194752977.db2.gz MDYGEDCWEAILAT-ZIFCJYIRSA-N 2 1 388.512 0.684 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000423386648 1194752978 /nfs/dbraw/zinc/75/29/78/1194752978.db2.gz MDYGEDCWEAILAT-ZIFCJYIRSA-N 2 1 388.512 0.684 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC[N@@H+]1C ZINC000423391985 1194753173 /nfs/dbraw/zinc/75/31/73/1194753173.db2.gz XFRINMSYLYNBDC-SQNIBIBYSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC[N@H+]1C ZINC000423391985 1194753177 /nfs/dbraw/zinc/75/31/77/1194753177.db2.gz XFRINMSYLYNBDC-SQNIBIBYSA-N 2 1 380.533 0.530 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423394901 1194753192 /nfs/dbraw/zinc/75/31/92/1194753192.db2.gz SJRGNZDEEZEDFP-KRWDZBQOSA-N 2 1 392.544 0.690 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000423393879 1194753313 /nfs/dbraw/zinc/75/33/13/1194753313.db2.gz RBZJYAXFIIODJK-ROUUACIJSA-N 2 1 387.528 0.463 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000423399022 1194753559 /nfs/dbraw/zinc/75/35/59/1194753559.db2.gz VUMRBPNFWRYZQM-QFBILLFUSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423403050 1194754796 /nfs/dbraw/zinc/75/47/96/1194754796.db2.gz XASNQBFTKXRTJF-MJGOQNOKSA-N 2 1 387.528 0.463 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000423442404 1194755417 /nfs/dbraw/zinc/75/54/17/1194755417.db2.gz BSAXIIPJBGBTEE-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000423442404 1194755418 /nfs/dbraw/zinc/75/54/18/1194755418.db2.gz BSAXIIPJBGBTEE-OAHLLOKOSA-N 2 1 380.533 0.281 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000423450111 1194756274 /nfs/dbraw/zinc/75/62/74/1194756274.db2.gz SJFNYZOGABQMJI-SJLPKXTDSA-N 2 1 382.549 0.779 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000423433428 1194756853 /nfs/dbraw/zinc/75/68/53/1194756853.db2.gz CJFNJDNGGSIWFG-UHFFFAOYSA-N 2 1 380.533 0.405 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423439836 1194757565 /nfs/dbraw/zinc/75/75/65/1194757565.db2.gz IFSSMYYQZWUBKD-ROUUACIJSA-N 2 1 394.560 0.651 20 0 GCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423466979 1194758716 /nfs/dbraw/zinc/75/87/16/1194758716.db2.gz ABKXFHBFNBJYHQ-MOPGFXCFSA-N 2 1 388.512 0.543 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497992 1194759539 /nfs/dbraw/zinc/75/95/39/1194759539.db2.gz AUWRMCGUFMPEKK-NXHRZFHOSA-N 2 1 379.549 0.342 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)C1 ZINC000423505871 1194759878 /nfs/dbraw/zinc/75/98/78/1194759878.db2.gz HMXYFGKFOPMZSW-BHIYHBOVSA-N 2 1 393.576 0.602 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423503140 1194759980 /nfs/dbraw/zinc/75/99/80/1194759980.db2.gz MPZZXVZCBDBFCP-JZXOWHBKSA-N 2 1 380.533 0.545 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@@H+]1CCOC ZINC000423528914 1194761051 /nfs/dbraw/zinc/76/10/51/1194761051.db2.gz PBPLPMVWNLLLHR-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[N@H+]1CCOC ZINC000423528914 1194761055 /nfs/dbraw/zinc/76/10/55/1194761055.db2.gz PBPLPMVWNLLLHR-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423528517 1194761133 /nfs/dbraw/zinc/76/11/33/1194761133.db2.gz NKDDLLNERRLJBB-OALUTQOASA-N 2 1 395.592 0.850 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423529222 1194761436 /nfs/dbraw/zinc/76/14/36/1194761436.db2.gz XKECEBZRKUSZIN-MOPGFXCFSA-N 2 1 388.512 0.686 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423529222 1194761439 /nfs/dbraw/zinc/76/14/39/1194761439.db2.gz XKECEBZRKUSZIN-MOPGFXCFSA-N 2 1 388.512 0.686 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423529224 1194761596 /nfs/dbraw/zinc/76/15/96/1194761596.db2.gz XKECEBZRKUSZIN-RBUKOAKNSA-N 2 1 388.512 0.686 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423529224 1194761597 /nfs/dbraw/zinc/76/15/97/1194761597.db2.gz XKECEBZRKUSZIN-RBUKOAKNSA-N 2 1 388.512 0.686 20 0 GCADMP CN(C(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423527674 1194763320 /nfs/dbraw/zinc/76/33/20/1194763320.db2.gz MKODOAQPTODQIE-UHOSZYNNSA-N 2 1 393.576 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H](C)[NH2+]1 ZINC000423576049 1194769141 /nfs/dbraw/zinc/76/91/41/1194769141.db2.gz XGDJXIWFMHGGPA-CBGDNZLLSA-N 2 1 388.512 0.291 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423607811 1194772735 /nfs/dbraw/zinc/77/27/35/1194772735.db2.gz LFUCMXZCENBYAL-CQSZACIVSA-N 2 1 394.438 0.310 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423595013 1194774646 /nfs/dbraw/zinc/77/46/46/1194774646.db2.gz OXAADTYIQHHNSC-IBGZPJMESA-N 2 1 387.528 0.477 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000423624857 1194778414 /nfs/dbraw/zinc/77/84/14/1194778414.db2.gz QFLDUSSSSYPFBH-IBGZPJMESA-N 2 1 387.528 0.607 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423654105 1194779526 /nfs/dbraw/zinc/77/95/26/1194779526.db2.gz SBPNYXDZKNJDFD-CYBMUJFWSA-N 2 1 380.411 0.049 20 0 GCADMP CCCN(C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H]1CC[NH2+]C1 ZINC000423669185 1194782419 /nfs/dbraw/zinc/78/24/19/1194782419.db2.gz XRIPUEWQPWOPES-CEXWTWQISA-N 2 1 393.576 0.604 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423648857 1194782909 /nfs/dbraw/zinc/78/29/09/1194782909.db2.gz JBZPITRSMWKALK-XDNAFOTISA-N 2 1 379.549 0.199 20 0 GCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423693285 1194783137 /nfs/dbraw/zinc/78/31/37/1194783137.db2.gz RVAVUAXKDSDFCM-VNTMZGSJSA-N 2 1 382.508 0.645 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423673895 1194784154 /nfs/dbraw/zinc/78/41/54/1194784154.db2.gz GYEULXHBYNPPMQ-ZSYWTGECSA-N 2 1 393.576 0.732 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000423686844 1194786099 /nfs/dbraw/zinc/78/60/99/1194786099.db2.gz ZNPSQULZENTWRU-MOPGFXCFSA-N 2 1 388.512 0.338 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000423690769 1194786189 /nfs/dbraw/zinc/78/61/89/1194786189.db2.gz YYKJBXJHCYWVHJ-IAGOWNOFSA-N 2 1 395.548 0.023 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688669 1194786358 /nfs/dbraw/zinc/78/63/58/1194786358.db2.gz BMWJHAODMVFZHB-GHTZIAJQSA-N 2 1 386.496 0.297 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCO1 ZINC000423688674 1194786467 /nfs/dbraw/zinc/78/64/67/1194786467.db2.gz BMWJHAODMVFZHB-RXVVDRJESA-N 2 1 386.496 0.297 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CCC)C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000423706613 1194786671 /nfs/dbraw/zinc/78/66/71/1194786671.db2.gz RCWGVFMIBFSHPO-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CCC)C2CC[NH2+]CC2)CC[N@H+]1CCOC ZINC000423706613 1194786673 /nfs/dbraw/zinc/78/66/73/1194786673.db2.gz RCWGVFMIBFSHPO-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000423719056 1194788512 /nfs/dbraw/zinc/78/85/12/1194788512.db2.gz BRVBNVXGOAHYPD-OALUTQOASA-N 2 1 395.592 0.709 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)CC[NH+](C)C ZINC000423719056 1194788514 /nfs/dbraw/zinc/78/85/14/1194788514.db2.gz BRVBNVXGOAHYPD-OALUTQOASA-N 2 1 395.592 0.709 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423718245 1194788529 /nfs/dbraw/zinc/78/85/29/1194788529.db2.gz KXEIIZOVENLZGR-PKOBYXMFSA-N 2 1 387.528 0.211 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423718242 1194788577 /nfs/dbraw/zinc/78/85/77/1194788577.db2.gz KXEIIZOVENLZGR-HKUYNNGSSA-N 2 1 387.528 0.211 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)CC1 ZINC000423748576 1194791755 /nfs/dbraw/zinc/79/17/55/1194791755.db2.gz ZOEFLVYFTPIKTD-MJGOQNOKSA-N 2 1 393.576 0.589 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)CC1 ZINC000423748577 1194791851 /nfs/dbraw/zinc/79/18/51/1194791851.db2.gz ZOEFLVYFTPIKTD-PKOBYXMFSA-N 2 1 393.576 0.589 20 0 GCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302012 1194808547 /nfs/dbraw/zinc/80/85/47/1194808547.db2.gz YRUJZBWTVCFXHB-ZDUSSCGKSA-N 2 1 396.513 0.745 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000424449237 1194812625 /nfs/dbraw/zinc/81/26/25/1194812625.db2.gz RQLRSTBFMFQEJD-UHFFFAOYSA-N 2 1 390.484 0.676 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424455149 1194813428 /nfs/dbraw/zinc/81/34/28/1194813428.db2.gz MWIMAXCEIHLHLS-MRXNPFEDSA-N 2 1 375.517 0.782 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000424491559 1194816654 /nfs/dbraw/zinc/81/66/54/1194816654.db2.gz DZLQVLLTCMCQAN-UHFFFAOYSA-N 2 1 376.501 0.543 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)CC[NH2+]CC2 ZINC000424509820 1194819292 /nfs/dbraw/zinc/81/92/92/1194819292.db2.gz QTBRSFLIPMOORI-IRXDYDNUSA-N 2 1 380.533 0.594 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424539984 1194820356 /nfs/dbraw/zinc/82/03/56/1194820356.db2.gz FWMOJSHRRJYLGX-IXDOHACOSA-N 2 1 376.505 0.006 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424554127 1194824435 /nfs/dbraw/zinc/82/44/35/1194824435.db2.gz RUCABFJWLFKEBK-HYVNUMGLSA-N 2 1 390.532 0.300 20 0 GCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424561382 1194824723 /nfs/dbraw/zinc/82/47/23/1194824723.db2.gz YTDLIVZRPJKIQW-OKZBNKHCSA-N 2 1 390.532 0.444 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(N2CCOCC2)CC1 ZINC000434354771 1194841586 /nfs/dbraw/zinc/84/15/86/1194841586.db2.gz KESQTOBIEFNGNY-GOSISDBHSA-N 2 1 381.565 0.909 20 0 GCADMP CC(C)OCCCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513966292 1194843631 /nfs/dbraw/zinc/84/36/31/1194843631.db2.gz OPNRUOZPSINKJZ-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP O=C(NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414864486 1194884056 /nfs/dbraw/zinc/88/40/56/1194884056.db2.gz CTMCSTAWALXHBS-JOCHJYFZSA-N 2 1 394.475 0.982 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664475069 1194898221 /nfs/dbraw/zinc/89/82/21/1194898221.db2.gz LTCPDNXHFQRXAE-ZCNNSNEGSA-N 2 1 394.560 0.995 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664475067 1194898336 /nfs/dbraw/zinc/89/83/36/1194898336.db2.gz LTCPDNXHFQRXAE-VAMGGRTRSA-N 2 1 394.560 0.995 20 0 GCADMP COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322871 1194914431 /nfs/dbraw/zinc/91/44/31/1194914431.db2.gz UFOXHKSJZQUHSU-HZPDHXFCSA-N 2 1 377.489 0.049 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1=O ZINC000425322871 1194914433 /nfs/dbraw/zinc/91/44/33/1194914433.db2.gz UFOXHKSJZQUHSU-HZPDHXFCSA-N 2 1 377.489 0.049 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000514813619 1194916048 /nfs/dbraw/zinc/91/60/48/1194916048.db2.gz GJLGUENONRKCGI-RTBURBONSA-N 2 1 394.560 0.651 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000514813619 1194916050 /nfs/dbraw/zinc/91/60/50/1194916050.db2.gz GJLGUENONRKCGI-RTBURBONSA-N 2 1 394.560 0.651 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000425378781 1194931111 /nfs/dbraw/zinc/93/11/11/1194931111.db2.gz CNZFRYRPAMBRAG-QGZVFWFLSA-N 2 1 380.533 0.500 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425379146 1194933428 /nfs/dbraw/zinc/93/34/28/1194933428.db2.gz CWXIWHFYUGMQFV-UHFFFAOYSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)N1CCO ZINC000514999963 1194936102 /nfs/dbraw/zinc/93/61/02/1194936102.db2.gz QKABKTQTFHHELK-NTDBWNAOSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@H+]1CCO ZINC000514999963 1194936103 /nfs/dbraw/zinc/93/61/03/1194936103.db2.gz QKABKTQTFHHELK-NTDBWNAOSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000514999963 1194936106 /nfs/dbraw/zinc/93/61/06/1194936106.db2.gz QKABKTQTFHHELK-NTDBWNAOSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999963 1194936108 /nfs/dbraw/zinc/93/61/08/1194936108.db2.gz QKABKTQTFHHELK-NTDBWNAOSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999963 1194936112 /nfs/dbraw/zinc/93/61/12/1194936112.db2.gz QKABKTQTFHHELK-NTDBWNAOSA-N 2 1 392.544 0.375 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000425385712 1194936631 /nfs/dbraw/zinc/93/66/31/1194936631.db2.gz KXWPYFUOXOTDPB-MRXNPFEDSA-N 2 1 382.549 0.744 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425393363 1194942708 /nfs/dbraw/zinc/94/27/08/1194942708.db2.gz DIEVEJFYHINQBF-DLBZAZTESA-N 2 1 380.533 0.356 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425393363 1194942710 /nfs/dbraw/zinc/94/27/10/1194942710.db2.gz DIEVEJFYHINQBF-DLBZAZTESA-N 2 1 380.533 0.356 20 0 GCADMP CN(C)c1ncc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000435567571 1194944098 /nfs/dbraw/zinc/94/40/98/1194944098.db2.gz MBALZUJVKCHGGZ-FQEVSTJZSA-N 2 1 386.500 0.922 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000435567571 1194944100 /nfs/dbraw/zinc/94/41/00/1194944100.db2.gz MBALZUJVKCHGGZ-FQEVSTJZSA-N 2 1 386.500 0.922 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000435567571 1194944103 /nfs/dbraw/zinc/94/41/03/1194944103.db2.gz MBALZUJVKCHGGZ-FQEVSTJZSA-N 2 1 386.500 0.922 20 0 GCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425401963 1194958160 /nfs/dbraw/zinc/95/81/60/1194958160.db2.gz MGVISVLYVRGSJM-KRWDZBQOSA-N 2 1 382.549 0.746 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425401963 1194958162 /nfs/dbraw/zinc/95/81/62/1194958162.db2.gz MGVISVLYVRGSJM-KRWDZBQOSA-N 2 1 382.549 0.746 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000425403765 1194959427 /nfs/dbraw/zinc/95/94/27/1194959427.db2.gz ONYKZGJTQDZTCT-YDZRNGNQSA-N 2 1 391.560 0.023 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000425406345 1194961324 /nfs/dbraw/zinc/96/13/24/1194961324.db2.gz SOAMXCJGYYONJM-GOSISDBHSA-N 2 1 394.560 0.746 20 0 GCADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1 ZINC000425407612 1194962259 /nfs/dbraw/zinc/96/22/59/1194962259.db2.gz VRNDSIHJGXXUPO-PKOBYXMFSA-N 2 1 394.560 0.888 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000515391415 1194971000 /nfs/dbraw/zinc/97/10/00/1194971000.db2.gz PCIUYSXREPCUDW-ROUUACIJSA-N 2 1 393.576 0.604 20 0 GCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000414875288 1194973709 /nfs/dbraw/zinc/97/37/09/1194973709.db2.gz JABCEGFHTPOUOC-UHFFFAOYSA-N 2 1 391.516 0.366 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000425438809 1194979097 /nfs/dbraw/zinc/97/90/97/1194979097.db2.gz DLFSBHWNVJJBEA-MRXNPFEDSA-N 2 1 383.537 0.326 20 0 GCADMP NS(=O)(=O)c1ccc(OCC[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436060563 1194982924 /nfs/dbraw/zinc/98/29/24/1194982924.db2.gz RDITWXBNTLVAAY-AWEZNQCLSA-N 2 1 384.502 0.032 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC000436065752 1194983322 /nfs/dbraw/zinc/98/33/22/1194983322.db2.gz PMYDKABDJJKNKK-INIZCTEOSA-N 2 1 380.464 0.640 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC000436065752 1194983324 /nfs/dbraw/zinc/98/33/24/1194983324.db2.gz PMYDKABDJJKNKK-INIZCTEOSA-N 2 1 380.464 0.640 20 0 GCADMP COCc1ccc(CNC(=O)C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436064440 1194983629 /nfs/dbraw/zinc/98/36/29/1194983629.db2.gz VSKHJOUKSZAXPI-SFHVURJKSA-N 2 1 376.501 0.769 20 0 GCADMP COCc1ccc(CNC(=O)C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436064440 1194983630 /nfs/dbraw/zinc/98/36/30/1194983630.db2.gz VSKHJOUKSZAXPI-SFHVURJKSA-N 2 1 376.501 0.769 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC000436065753 1194983929 /nfs/dbraw/zinc/98/39/29/1194983929.db2.gz PMYDKABDJJKNKK-MRXNPFEDSA-N 2 1 380.464 0.640 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCOc1cccc(F)c1 ZINC000436065753 1194983930 /nfs/dbraw/zinc/98/39/30/1194983930.db2.gz PMYDKABDJJKNKK-MRXNPFEDSA-N 2 1 380.464 0.640 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)Nc1cccc2c1CC[NH2+]C2 ZINC000515651825 1194988850 /nfs/dbraw/zinc/98/88/50/1194988850.db2.gz VWXWCXJWMINZHL-LJQANCHMSA-N 2 1 386.496 0.984 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000505774095 1194990710 /nfs/dbraw/zinc/99/07/10/1194990710.db2.gz VBVGJUSZBRSMKZ-QZTJIDSGSA-N 2 1 392.548 0.777 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549980646 1195002326 /nfs/dbraw/zinc/00/23/26/1195002326.db2.gz VOIACKUDBIMLJI-IYBDPMFKSA-N 2 1 382.549 0.979 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549980646 1195002331 /nfs/dbraw/zinc/00/23/31/1195002331.db2.gz VOIACKUDBIMLJI-IYBDPMFKSA-N 2 1 382.549 0.979 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000286681414 1195010136 /nfs/dbraw/zinc/01/01/36/1195010136.db2.gz SJZOEJFWDGJIHP-NZSAHSFTSA-N 2 1 388.512 0.603 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000286681414 1195010140 /nfs/dbraw/zinc/01/01/40/1195010140.db2.gz SJZOEJFWDGJIHP-NZSAHSFTSA-N 2 1 388.512 0.603 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000516078374 1195019816 /nfs/dbraw/zinc/01/98/16/1195019816.db2.gz HXGOCFRFEHZEIP-MSOLQXFVSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000516078374 1195019819 /nfs/dbraw/zinc/01/98/19/1195019819.db2.gz HXGOCFRFEHZEIP-MSOLQXFVSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000516078374 1195019821 /nfs/dbraw/zinc/01/98/21/1195019821.db2.gz HXGOCFRFEHZEIP-MSOLQXFVSA-N 2 1 382.549 0.555 20 0 GCADMP CN(C)S(=O)(=O)c1c[nH]c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000516209287 1195033832 /nfs/dbraw/zinc/03/38/32/1195033832.db2.gz ZOHLKCXPAZYXFU-UHFFFAOYSA-N 2 1 392.485 0.664 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000516254837 1195037298 /nfs/dbraw/zinc/03/72/98/1195037298.db2.gz FWOMIKPPAWBWMX-LJQANCHMSA-N 2 1 393.576 0.414 20 0 GCADMP [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000516570883 1195072219 /nfs/dbraw/zinc/07/22/19/1195072219.db2.gz IUDPISDBFUSEKH-QGZVFWFLSA-N 2 1 396.513 0.506 20 0 GCADMP CCC1(CC)NC(=O)N(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1=O ZINC000516625997 1195074955 /nfs/dbraw/zinc/07/49/55/1195074955.db2.gz NRSHSYCQFRTJTD-UHFFFAOYSA-N 2 1 388.472 0.883 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000516629826 1195078854 /nfs/dbraw/zinc/07/88/54/1195078854.db2.gz UUPVJRZWHLOFSN-UHFFFAOYSA-N 2 1 382.549 0.888 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000437190715 1195081222 /nfs/dbraw/zinc/08/12/22/1195081222.db2.gz ZAUUVELKUMYCFK-QZTJIDSGSA-N 2 1 380.533 0.642 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@H+](C)C1)[NH+](C)C ZINC000549988654 1195087498 /nfs/dbraw/zinc/08/74/98/1195087498.db2.gz WHDJJQSLGLSNMT-WBVHZDCISA-N 2 1 376.501 0.824 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)C ZINC000549988654 1195087503 /nfs/dbraw/zinc/08/75/03/1195087503.db2.gz WHDJJQSLGLSNMT-WBVHZDCISA-N 2 1 376.501 0.824 20 0 GCADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000516856347 1195103686 /nfs/dbraw/zinc/10/36/86/1195103686.db2.gz CRZGOFOBMISZPG-OKZBNKHCSA-N 2 1 390.532 0.740 20 0 GCADMP CO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000516856346 1195103990 /nfs/dbraw/zinc/10/39/90/1195103990.db2.gz CRZGOFOBMISZPG-KZNAEPCWSA-N 2 1 390.532 0.740 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000517020109 1195125341 /nfs/dbraw/zinc/12/53/41/1195125341.db2.gz HOSRKQSBOVICCL-INIZCTEOSA-N 2 1 376.501 0.639 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000517020109 1195125344 /nfs/dbraw/zinc/12/53/44/1195125344.db2.gz HOSRKQSBOVICCL-INIZCTEOSA-N 2 1 376.501 0.639 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045085 1195129578 /nfs/dbraw/zinc/12/95/78/1195129578.db2.gz NXOHUULZCOHGBC-OALUTQOASA-N 2 1 395.592 0.755 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045086 1195129650 /nfs/dbraw/zinc/12/96/50/1195129650.db2.gz NXOHUULZCOHGBC-RBUKOAKNSA-N 2 1 395.592 0.755 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000517045081 1195129676 /nfs/dbraw/zinc/12/96/76/1195129676.db2.gz NXOHUULZCOHGBC-MOPGFXCFSA-N 2 1 395.592 0.755 20 0 GCADMP O=C(C[NH+]1CCC(c2ccnn2CCO)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000506074979 1195131382 /nfs/dbraw/zinc/13/13/82/1195131382.db2.gz XDADITHVVDOWNL-UHFFFAOYSA-N 2 1 375.517 0.798 20 0 GCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425876477 1195144606 /nfs/dbraw/zinc/14/46/06/1195144606.db2.gz BGGFQQRJJBMZOJ-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425876477 1195144608 /nfs/dbraw/zinc/14/46/08/1195144608.db2.gz BGGFQQRJJBMZOJ-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425890933 1195151658 /nfs/dbraw/zinc/15/16/58/1195151658.db2.gz XIRISNXEMFMTOT-UHFFFAOYSA-N 2 1 398.548 0.173 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425895969 1195153843 /nfs/dbraw/zinc/15/38/43/1195153843.db2.gz WSCFYLLNVRTVFM-RBUKOAKNSA-N 2 1 388.512 0.414 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000549995319 1195166900 /nfs/dbraw/zinc/16/69/00/1195166900.db2.gz VVOSPYCOYLPOEB-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1 ZINC000517395884 1195178549 /nfs/dbraw/zinc/17/85/49/1195178549.db2.gz UCMNRMUIXFLEOX-UXHICEINSA-N 2 1 399.539 0.273 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517405162 1195179611 /nfs/dbraw/zinc/17/96/11/1195179611.db2.gz CAZMNMGNTADXIT-QGZVFWFLSA-N 2 1 381.521 0.080 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000438331946 1195206613 /nfs/dbraw/zinc/20/66/13/1195206613.db2.gz PHIZGXCKUWPUSA-KRWDZBQOSA-N 2 1 378.521 1.553 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000517755965 1195213574 /nfs/dbraw/zinc/21/35/74/1195213574.db2.gz AXKWLMJYFNGWCL-IRXDYDNUSA-N 2 1 382.574 0.908 20 0 GCADMP Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cn2cc[nH+]c12 ZINC000645332972 1195215623 /nfs/dbraw/zinc/21/56/23/1195215623.db2.gz WFLUHNMFCNQSEJ-QGZVFWFLSA-N 2 1 384.484 0.820 20 0 GCADMP Cc1cc(NC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cn2cc[nH+]c12 ZINC000645332972 1195215626 /nfs/dbraw/zinc/21/56/26/1195215626.db2.gz WFLUHNMFCNQSEJ-QGZVFWFLSA-N 2 1 384.484 0.820 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000517993774 1195236527 /nfs/dbraw/zinc/23/65/27/1195236527.db2.gz DXNLHVAZAHQZRT-KRWDZBQOSA-N 2 1 394.560 0.936 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CCOC)c1 ZINC000438996237 1195276698 /nfs/dbraw/zinc/27/66/98/1195276698.db2.gz DMWAEQWLUZJTQX-MRXNPFEDSA-N 2 1 387.550 0.566 20 0 GCADMP C[N@H+]1CCN(CCC[NH2+]CC2(O)CCS(=O)(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000518361483 1195283311 /nfs/dbraw/zinc/28/33/11/1195283311.db2.gz ANHNKYGIHLCUIO-LJQANCHMSA-N 2 1 395.569 0.895 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000518737506 1195324942 /nfs/dbraw/zinc/32/49/42/1195324942.db2.gz IVXSLLIAXZSOKM-SJLPKXTDSA-N 2 1 376.501 0.460 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000518737506 1195324946 /nfs/dbraw/zinc/32/49/46/1195324946.db2.gz IVXSLLIAXZSOKM-SJLPKXTDSA-N 2 1 376.501 0.460 20 0 GCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC2 ZINC000506713249 1195364543 /nfs/dbraw/zinc/36/45/43/1195364543.db2.gz AVJUEWBUDHVTRO-FQEVSTJZSA-N 2 1 394.516 0.674 20 0 GCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@](C)(O)C[NH+](C)C)CC2 ZINC000506713249 1195364544 /nfs/dbraw/zinc/36/45/44/1195364544.db2.gz AVJUEWBUDHVTRO-FQEVSTJZSA-N 2 1 394.516 0.674 20 0 GCADMP CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@H+](CC)C3)O2)C1 ZINC000426648113 1195412836 /nfs/dbraw/zinc/41/28/36/1195412836.db2.gz RMKBTOMRDBFANR-FZDBZEDMSA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)NC[C@@H]3CC[N@H+](CC)C3)O2)C1 ZINC000426648113 1195412842 /nfs/dbraw/zinc/41/28/42/1195412842.db2.gz RMKBTOMRDBFANR-FZDBZEDMSA-N 2 1 380.533 0.450 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C(=O)NC[C@@H]3CC[N@@H+](CC)C3)O2)C1 ZINC000426648113 1195412844 /nfs/dbraw/zinc/41/28/44/1195412844.db2.gz RMKBTOMRDBFANR-FZDBZEDMSA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000550099349 1195435340 /nfs/dbraw/zinc/43/53/40/1195435340.db2.gz OAIDXJYZRJPQPA-QGZVFWFLSA-N 2 1 382.549 0.839 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000550096832 1195435402 /nfs/dbraw/zinc/43/54/02/1195435402.db2.gz LXLYKQMJKNGKKV-QGZVFWFLSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096824 1195435488 /nfs/dbraw/zinc/43/54/88/1195435488.db2.gz LPKKOCQETDGRMH-FGTMMUONSA-N 2 1 398.548 0.075 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550096824 1195435490 /nfs/dbraw/zinc/43/54/90/1195435490.db2.gz LPKKOCQETDGRMH-FGTMMUONSA-N 2 1 398.548 0.075 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2Cn2ccnc2)C1 ZINC000550096137 1195435648 /nfs/dbraw/zinc/43/56/48/1195435648.db2.gz VCDWZOFZLYGICB-DLBZAZTESA-N 2 1 377.489 0.347 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000550135900 1195446494 /nfs/dbraw/zinc/44/64/94/1195446494.db2.gz UUXHANVGNTVJRZ-QGZVFWFLSA-N 2 1 395.548 0.036 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N(C)CCC[NH+]2CCN(C)CC2)CC1 ZINC000550136154 1195446737 /nfs/dbraw/zinc/44/67/37/1195446737.db2.gz ADRKCJYKBBRTDV-UHFFFAOYSA-N 2 1 381.565 0.321 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832820 1195450828 /nfs/dbraw/zinc/45/08/28/1195450828.db2.gz MBHNNVPAHCICAM-JYJNAYRXSA-N 2 1 391.582 0.276 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O ZINC000664832820 1195450832 /nfs/dbraw/zinc/45/08/32/1195450832.db2.gz MBHNNVPAHCICAM-JYJNAYRXSA-N 2 1 391.582 0.276 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832821 1195451011 /nfs/dbraw/zinc/45/10/11/1195451011.db2.gz MBHNNVPAHCICAM-XHSDSOJGSA-N 2 1 391.582 0.276 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832821 1195451012 /nfs/dbraw/zinc/45/10/12/1195451012.db2.gz MBHNNVPAHCICAM-XHSDSOJGSA-N 2 1 391.582 0.276 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000550202468 1195460367 /nfs/dbraw/zinc/46/03/67/1195460367.db2.gz OOTBEIAMVGKGJU-HOTGVXAUSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550206845 1195461422 /nfs/dbraw/zinc/46/14/22/1195461422.db2.gz MNIHAYWWZCBFDF-XHSDSOJGSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550206845 1195461425 /nfs/dbraw/zinc/46/14/25/1195461425.db2.gz MNIHAYWWZCBFDF-XHSDSOJGSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550206845 1195461428 /nfs/dbraw/zinc/46/14/28/1195461428.db2.gz MNIHAYWWZCBFDF-XHSDSOJGSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550206845 1195461429 /nfs/dbraw/zinc/46/14/29/1195461429.db2.gz MNIHAYWWZCBFDF-XHSDSOJGSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000519593184 1195500422 /nfs/dbraw/zinc/50/04/22/1195500422.db2.gz XRUIPLZUEVNIQE-MOPGFXCFSA-N 2 1 387.528 0.041 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000550284523 1195514290 /nfs/dbraw/zinc/51/42/90/1195514290.db2.gz SELUNRLRRCAUFZ-UHFFFAOYSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507435051 1195521564 /nfs/dbraw/zinc/52/15/64/1195521564.db2.gz VLZAVHKBGPQEQH-NVXWUHKLSA-N 2 1 395.548 0.781 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCN1CCO ZINC000427393575 1195532047 /nfs/dbraw/zinc/53/20/47/1195532047.db2.gz AOORVNVQZYFEIV-MRXNPFEDSA-N 2 1 388.512 0.787 20 0 GCADMP Cc1nc(CNC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)sc1C ZINC000507549004 1195532221 /nfs/dbraw/zinc/53/22/21/1195532221.db2.gz FNDDPBFJFKMKRR-UHFFFAOYSA-N 2 1 381.546 0.861 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@@H+](C)C3CC3)c2)CCN1CCO ZINC000427393574 1195532306 /nfs/dbraw/zinc/53/23/06/1195532306.db2.gz AOORVNVQZYFEIV-INIZCTEOSA-N 2 1 388.512 0.787 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)NC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000427496240 1195545950 /nfs/dbraw/zinc/54/59/50/1195545950.db2.gz VELUTEDSDBBYIP-BMGDILEWSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000427496240 1195545952 /nfs/dbraw/zinc/54/59/52/1195545952.db2.gz VELUTEDSDBBYIP-BMGDILEWSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000427496240 1195545954 /nfs/dbraw/zinc/54/59/54/1195545954.db2.gz VELUTEDSDBBYIP-BMGDILEWSA-N 2 1 378.517 0.487 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)n2)CC1 ZINC000427524885 1195548579 /nfs/dbraw/zinc/54/85/79/1195548579.db2.gz MVEWPPLLIMYRSK-RDJZCZTQSA-N 2 1 388.516 1.031 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427544927 1195548936 /nfs/dbraw/zinc/54/89/36/1195548936.db2.gz DKXNIJZFFYJRMM-NVXWUHKLSA-N 2 1 390.532 1.420 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707437 1195566534 /nfs/dbraw/zinc/56/65/34/1195566534.db2.gz AHZDJTBEOCGWEM-ZIAGYGMSSA-N 2 1 378.473 0.776 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707437 1195566536 /nfs/dbraw/zinc/56/65/36/1195566536.db2.gz AHZDJTBEOCGWEM-ZIAGYGMSSA-N 2 1 378.473 0.776 20 0 GCADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1S(N)(=O)=O ZINC000519712196 1195566927 /nfs/dbraw/zinc/56/69/27/1195566927.db2.gz ZJMLASRMOMUGLU-BZUAXINKSA-N 2 1 383.514 0.632 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550312152 1195570493 /nfs/dbraw/zinc/57/04/93/1195570493.db2.gz OEQCFTUZJIQFMB-CALCHBBNSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000519813416 1195572796 /nfs/dbraw/zinc/57/27/96/1195572796.db2.gz IUJJWJSDICJYGS-KRWDZBQOSA-N 2 1 387.528 0.429 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440987066 1195596218 /nfs/dbraw/zinc/59/62/18/1195596218.db2.gz VZWPQXNQNLFKGR-GOSISDBHSA-N 2 1 382.597 0.585 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440987066 1195596223 /nfs/dbraw/zinc/59/62/23/1195596223.db2.gz VZWPQXNQNLFKGR-GOSISDBHSA-N 2 1 382.597 0.585 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440987066 1195596227 /nfs/dbraw/zinc/59/62/27/1195596227.db2.gz VZWPQXNQNLFKGR-GOSISDBHSA-N 2 1 382.597 0.585 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000520237089 1195609596 /nfs/dbraw/zinc/60/95/96/1195609596.db2.gz QDZAHVVSPHONRF-UHFFFAOYSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579239902 1195624233 /nfs/dbraw/zinc/62/42/33/1195624233.db2.gz SAVBWKBAUIEDBH-OQUILHJVSA-N 2 1 392.525 0.671 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579239902 1195624236 /nfs/dbraw/zinc/62/42/36/1195624236.db2.gz SAVBWKBAUIEDBH-OQUILHJVSA-N 2 1 392.525 0.671 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579239903 1195624409 /nfs/dbraw/zinc/62/44/09/1195624409.db2.gz SAVBWKBAUIEDBH-OSRSDYAFSA-N 2 1 392.525 0.671 20 0 GCADMP C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579239903 1195624411 /nfs/dbraw/zinc/62/44/11/1195624411.db2.gz SAVBWKBAUIEDBH-OSRSDYAFSA-N 2 1 392.525 0.671 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCCC1 ZINC000550326815 1195633652 /nfs/dbraw/zinc/63/36/52/1195633652.db2.gz NMLNSVUJOPJKKZ-UHFFFAOYSA-N 2 1 382.549 0.672 20 0 GCADMP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000550358795 1195643846 /nfs/dbraw/zinc/64/38/46/1195643846.db2.gz FJGKTBXVSPGFNT-MSOLQXFVSA-N 2 1 382.549 0.648 20 0 GCADMP CC(C)C[C@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000550358795 1195643848 /nfs/dbraw/zinc/64/38/48/1195643848.db2.gz FJGKTBXVSPGFNT-MSOLQXFVSA-N 2 1 382.549 0.648 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000550369375 1195647300 /nfs/dbraw/zinc/64/73/00/1195647300.db2.gz STHNFEIBFGDZML-RDJZCZTQSA-N 2 1 376.501 0.967 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000550383321 1195651480 /nfs/dbraw/zinc/65/14/80/1195651480.db2.gz GMINURIGIKHILR-CEXWTWQISA-N 2 1 393.576 0.460 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976694 1195652242 /nfs/dbraw/zinc/65/22/42/1195652242.db2.gz SCGZUFIPUHNRIF-HUUCEWRRSA-N 2 1 380.514 0.984 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000520437046 1195675743 /nfs/dbraw/zinc/67/57/43/1195675743.db2.gz OUXKFNRFDUZYDX-OAHLLOKOSA-N 2 1 397.564 0.186 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000729497016 1195746321 /nfs/dbraw/zinc/74/63/21/1195746321.db2.gz OEILDDUECMJOEU-QGZVFWFLSA-N 2 1 399.499 0.962 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000729497016 1195746326 /nfs/dbraw/zinc/74/63/26/1195746326.db2.gz OEILDDUECMJOEU-QGZVFWFLSA-N 2 1 399.499 0.962 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000729496633 1195749376 /nfs/dbraw/zinc/74/93/76/1195749376.db2.gz JZEVJMRPUAPATJ-UXHICEINSA-N 2 1 387.528 0.971 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000729496633 1195749380 /nfs/dbraw/zinc/74/93/80/1195749380.db2.gz JZEVJMRPUAPATJ-UXHICEINSA-N 2 1 387.528 0.971 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCc1ccnc(OCC[NH+](C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000520646709 1195812363 /nfs/dbraw/zinc/81/23/63/1195812363.db2.gz BSPCHXKFQKNINB-OAHLLOKOSA-N 2 1 389.500 0.405 20 0 GCADMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(OC4CC[NH+](C)CC4)nc3)C[C@H]2C1 ZINC000427879260 1195886684 /nfs/dbraw/zinc/88/66/84/1195886684.db2.gz BYTRTAANXLFWHR-GASCZTMLSA-N 2 1 387.484 0.513 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898321 1195891085 /nfs/dbraw/zinc/89/10/85/1195891085.db2.gz AIFALPJLVKMJNA-KKFZBWNWSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898321 1195891092 /nfs/dbraw/zinc/89/10/92/1195891092.db2.gz AIFALPJLVKMJNA-KKFZBWNWSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[N@@H+](C)[C@@H]3C)O2)CCC[NH+]1C ZINC000427898321 1195891096 /nfs/dbraw/zinc/89/10/96/1195891096.db2.gz AIFALPJLVKMJNA-KKFZBWNWSA-N 2 1 380.533 0.732 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)Nc1ccn(C)n1 ZINC000441826640 1195914460 /nfs/dbraw/zinc/91/44/60/1195914460.db2.gz RVQOFWUPIKILFO-UHFFFAOYSA-N 2 1 390.532 1.013 20 0 GCADMP C[C@H](c1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000441848801 1195925664 /nfs/dbraw/zinc/92/56/64/1195925664.db2.gz VTWXRWGPZMZUNT-MRXNPFEDSA-N 2 1 392.500 0.713 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)c2)CC1 ZINC000441989490 1195940018 /nfs/dbraw/zinc/94/00/18/1195940018.db2.gz WFYSWIZQVMAYQL-GOSISDBHSA-N 2 1 385.512 0.725 20 0 GCADMP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989979 1195947711 /nfs/dbraw/zinc/94/77/11/1195947711.db2.gz LQMHDJGEBCDRKQ-AEFFLSMTSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989979 1195947712 /nfs/dbraw/zinc/94/77/12/1195947712.db2.gz LQMHDJGEBCDRKQ-AEFFLSMTSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989979 1195947714 /nfs/dbraw/zinc/94/77/14/1195947714.db2.gz LQMHDJGEBCDRKQ-AEFFLSMTSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000550455840 1195964476 /nfs/dbraw/zinc/96/44/76/1195964476.db2.gz OJDUXXOZNODXIP-IBGZPJMESA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455717 1195966053 /nfs/dbraw/zinc/96/60/53/1195966053.db2.gz CFQKZGANIGAMBG-MSOLQXFVSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550455717 1195966057 /nfs/dbraw/zinc/96/60/57/1195966057.db2.gz CFQKZGANIGAMBG-MSOLQXFVSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550455717 1195966059 /nfs/dbraw/zinc/96/60/59/1195966059.db2.gz CFQKZGANIGAMBG-MSOLQXFVSA-N 2 1 382.549 0.554 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000442304938 1195975481 /nfs/dbraw/zinc/97/54/81/1195975481.db2.gz KJUNYTNHWQUDMM-UHFFFAOYSA-N 2 1 389.500 0.356 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233917 1195981072 /nfs/dbraw/zinc/98/10/72/1195981072.db2.gz WTTMMHPWFGTZIO-ZWKOTPCHSA-N 2 1 380.533 0.548 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000550458899 1195985786 /nfs/dbraw/zinc/98/57/86/1195985786.db2.gz YJODXYCPMVXHEB-MSOLQXFVSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000550458899 1195985788 /nfs/dbraw/zinc/98/57/88/1195985788.db2.gz YJODXYCPMVXHEB-MSOLQXFVSA-N 2 1 382.549 0.696 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000521318931 1195987836 /nfs/dbraw/zinc/98/78/36/1195987836.db2.gz VLYYSVMEFHLMPW-MSOLQXFVSA-N 2 1 394.560 0.794 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000521479990 1195997938 /nfs/dbraw/zinc/99/79/38/1195997938.db2.gz PXZQFTFBSYNPDE-SFHVURJKSA-N 2 1 390.528 0.804 20 0 GCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000521479990 1195997939 /nfs/dbraw/zinc/99/79/39/1195997939.db2.gz PXZQFTFBSYNPDE-SFHVURJKSA-N 2 1 390.528 0.804 20 0 GCADMP COCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000521479990 1195997941 /nfs/dbraw/zinc/99/79/41/1195997941.db2.gz PXZQFTFBSYNPDE-SFHVURJKSA-N 2 1 390.528 0.804 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761044 1196001277 /nfs/dbraw/zinc/00/12/77/1196001277.db2.gz OTOSBVNFKUUPRK-HZPDHXFCSA-N 2 1 383.514 0.755 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775112 1196002588 /nfs/dbraw/zinc/00/25/88/1196002588.db2.gz BKBORIRVFOASTA-CVEARBPZSA-N 2 1 380.514 0.189 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775112 1196002591 /nfs/dbraw/zinc/00/25/91/1196002591.db2.gz BKBORIRVFOASTA-CVEARBPZSA-N 2 1 380.514 0.189 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061369 1196017574 /nfs/dbraw/zinc/01/75/74/1196017574.db2.gz RJTHDRDIEDXEID-GDBMZVCRSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065475 1196017601 /nfs/dbraw/zinc/01/76/01/1196017601.db2.gz ZXBHPTJBYJFCOA-KBPBESRZSA-N 2 1 380.514 0.672 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443059319 1196018702 /nfs/dbraw/zinc/01/87/02/1196018702.db2.gz MKMAMYBDVWNNJM-INIZCTEOSA-N 2 1 382.530 0.444 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C[NH+]1CCCCC1 ZINC000521960186 1196028653 /nfs/dbraw/zinc/02/86/53/1196028653.db2.gz JPKAWUDNXYHVPB-MOPGFXCFSA-N 2 1 394.560 0.938 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCCN3C(=O)CNC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087578798 1196050228 /nfs/dbraw/zinc/05/02/28/1196050228.db2.gz PLZKFYULFCRMJL-MWDXBVQZSA-N 2 1 393.532 0.628 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001087578798 1196050230 /nfs/dbraw/zinc/05/02/30/1196050230.db2.gz PLZKFYULFCRMJL-MWDXBVQZSA-N 2 1 393.532 0.628 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CCCN1C(=O)CNC1=O ZINC001087578798 1196050231 /nfs/dbraw/zinc/05/02/31/1196050231.db2.gz PLZKFYULFCRMJL-MWDXBVQZSA-N 2 1 393.532 0.628 20 0 GCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895297334 1196079171 /nfs/dbraw/zinc/07/91/71/1196079171.db2.gz CDWPQQJZAXHAGA-ROUUACIJSA-N 2 1 396.532 0.108 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895297334 1196079175 /nfs/dbraw/zinc/07/91/75/1196079175.db2.gz CDWPQQJZAXHAGA-ROUUACIJSA-N 2 1 396.532 0.108 20 0 GCADMP C[NH+]1CCC(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)(N2CCOCC2)CC1 ZINC000895333951 1196083090 /nfs/dbraw/zinc/08/30/90/1196083090.db2.gz MJPBEJOLPWSGFM-MSOLQXFVSA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC(CNC(=O)NCC[N@H+]2CCC(C)(C)C2)(N2CCOCC2)CC1 ZINC000895334288 1196083712 /nfs/dbraw/zinc/08/37/12/1196083712.db2.gz PHZVMEFSHOUMQA-UHFFFAOYSA-N 2 1 381.565 0.814 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C(=O)[C@H]1C[NH+](C)C[C@@H]1C ZINC000487437595 1196085800 /nfs/dbraw/zinc/08/58/00/1196085800.db2.gz YFXYTWWDBHGEHS-XWSJACJDSA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487437595 1196085804 /nfs/dbraw/zinc/08/58/04/1196085804.db2.gz YFXYTWWDBHGEHS-XWSJACJDSA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487437595 1196085807 /nfs/dbraw/zinc/08/58/07/1196085807.db2.gz YFXYTWWDBHGEHS-XWSJACJDSA-N 2 1 396.576 0.752 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000550566424 1196087606 /nfs/dbraw/zinc/08/76/06/1196087606.db2.gz MPKBKQCSJJQLAI-INIZCTEOSA-N 2 1 380.533 0.594 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550574894 1196091175 /nfs/dbraw/zinc/09/11/75/1196091175.db2.gz JMHHBWYXRLGDMA-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550574894 1196091178 /nfs/dbraw/zinc/09/11/78/1196091178.db2.gz JMHHBWYXRLGDMA-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550574894 1196091180 /nfs/dbraw/zinc/09/11/80/1196091180.db2.gz JMHHBWYXRLGDMA-BRWVUGGUSA-N 2 1 382.549 0.839 20 0 GCADMP COC(=O)c1cnc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001141821713 1196105131 /nfs/dbraw/zinc/10/51/31/1196105131.db2.gz GTRJVYBSEKNSSN-UHFFFAOYSA-N 2 1 385.468 0.587 20 0 GCADMP COC(=O)c1cnc(C[N@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1 ZINC001141821713 1196105134 /nfs/dbraw/zinc/10/51/34/1196105134.db2.gz GTRJVYBSEKNSSN-UHFFFAOYSA-N 2 1 385.468 0.587 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC000895666873 1196107197 /nfs/dbraw/zinc/10/71/97/1196107197.db2.gz UEZQDTHFNQSBPM-INIZCTEOSA-N 2 1 382.553 0.705 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCC(CN2CCNC2=O)CC1 ZINC000895666873 1196107200 /nfs/dbraw/zinc/10/72/00/1196107200.db2.gz UEZQDTHFNQSBPM-INIZCTEOSA-N 2 1 382.553 0.705 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[NH+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[N@H+]1C ZINC000895737476 1196110988 /nfs/dbraw/zinc/11/09/88/1196110988.db2.gz WDOLNDKJBKZWRD-QKPAOTATSA-N 2 1 390.536 0.717 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@H+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737476 1196110991 /nfs/dbraw/zinc/11/09/91/1196110991.db2.gz WDOLNDKJBKZWRD-QKPAOTATSA-N 2 1 390.536 0.717 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737476 1196110993 /nfs/dbraw/zinc/11/09/93/1196110993.db2.gz WDOLNDKJBKZWRD-QKPAOTATSA-N 2 1 390.536 0.717 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000895841787 1196113896 /nfs/dbraw/zinc/11/38/96/1196113896.db2.gz IBYFKRAXTVCUHC-NCXUSEDFSA-N 2 1 392.544 0.870 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895841787 1196113898 /nfs/dbraw/zinc/11/38/98/1196113898.db2.gz IBYFKRAXTVCUHC-NCXUSEDFSA-N 2 1 392.544 0.870 20 0 GCADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC000840298494 1196115412 /nfs/dbraw/zinc/11/54/12/1196115412.db2.gz KJTINTAEQIMDTK-RDJZCZTQSA-N 2 1 382.505 0.376 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC000840298497 1196115483 /nfs/dbraw/zinc/11/54/83/1196115483.db2.gz KJTINTAEQIMDTK-WBVHZDCISA-N 2 1 382.505 0.376 20 0 GCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896017266 1196123057 /nfs/dbraw/zinc/12/30/57/1196123057.db2.gz LKATXQWDVJZSHU-UHFFFAOYSA-N 2 1 387.528 0.821 20 0 GCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469761 1196149382 /nfs/dbraw/zinc/14/93/82/1196149382.db2.gz JTOBWDHLMSDCTA-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CC[NH+](CCNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000896469761 1196149385 /nfs/dbraw/zinc/14/93/85/1196149385.db2.gz JTOBWDHLMSDCTA-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CC[NH+](CCNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000896469761 1196149386 /nfs/dbraw/zinc/14/93/86/1196149386.db2.gz JTOBWDHLMSDCTA-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CC[N@@H+](CCNC(=O)N[C@@H]2CCC[NH+](CCN3CCOCC3)C2)C1 ZINC000896469760 1196149593 /nfs/dbraw/zinc/14/95/93/1196149593.db2.gz JTOBWDHLMSDCTA-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CC[NH+](CCNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)C1 ZINC000896469760 1196149597 /nfs/dbraw/zinc/14/95/97/1196149597.db2.gz JTOBWDHLMSDCTA-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000896469760 1196149601 /nfs/dbraw/zinc/14/96/01/1196149601.db2.gz JTOBWDHLMSDCTA-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000896468947 1196149774 /nfs/dbraw/zinc/14/97/74/1196149774.db2.gz UFOPRNJHETUFCN-GOSISDBHSA-N 2 1 379.549 0.663 20 0 GCADMP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896533264 1196153769 /nfs/dbraw/zinc/15/37/69/1196153769.db2.gz HASWWWDCXSWLFA-HRCADAONSA-N 2 1 385.553 0.582 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329238686 1196178845 /nfs/dbraw/zinc/17/88/45/1196178845.db2.gz LIXGMRHSVLYJNE-IEBWSBKVSA-N 2 1 394.560 0.888 20 0 GCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329359406 1196188808 /nfs/dbraw/zinc/18/88/08/1196188808.db2.gz BVRMXNOGJZUAPU-ROUUACIJSA-N 2 1 380.533 0.500 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329359406 1196188809 /nfs/dbraw/zinc/18/88/09/1196188809.db2.gz BVRMXNOGJZUAPU-ROUUACIJSA-N 2 1 380.533 0.500 20 0 GCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329364137 1196189253 /nfs/dbraw/zinc/18/92/53/1196189253.db2.gz HVBYJYSCQOPXPK-SWDXFRIISA-N 2 1 392.544 0.783 20 0 GCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329364137 1196189255 /nfs/dbraw/zinc/18/92/55/1196189255.db2.gz HVBYJYSCQOPXPK-SWDXFRIISA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726841 1196227321 /nfs/dbraw/zinc/22/73/21/1196227321.db2.gz OOTIOSAMGJDNST-KZNAEPCWSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726841 1196227323 /nfs/dbraw/zinc/22/73/23/1196227323.db2.gz OOTIOSAMGJDNST-KZNAEPCWSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329726841 1196227325 /nfs/dbraw/zinc/22/73/25/1196227325.db2.gz OOTIOSAMGJDNST-KZNAEPCWSA-N 2 1 380.533 0.498 20 0 GCADMP CCc1cncc(C(=O)N(C)C2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)c1 ZINC000329885651 1196236502 /nfs/dbraw/zinc/23/65/02/1196236502.db2.gz UYENBTPOHCKEPL-UHFFFAOYSA-N 2 1 387.528 0.954 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)cn3)C[C@H]2C1 ZINC000330124416 1196254243 /nfs/dbraw/zinc/25/42/43/1196254243.db2.gz BDCRTNAARNXDME-USTZCAOPSA-N 2 1 383.496 0.349 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5C[N@@H+](C)C[C@@H]5C4)nc3)C[C@H]2C1 ZINC000330124416 1196254247 /nfs/dbraw/zinc/25/42/47/1196254247.db2.gz BDCRTNAARNXDME-USTZCAOPSA-N 2 1 383.496 0.349 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)c3ccc(C(=O)N4C[C@@H]5C[N@H+](C)C[C@@H]5C4)nc3)C[C@H]2C1 ZINC000330124416 1196254251 /nfs/dbraw/zinc/25/42/51/1196254251.db2.gz BDCRTNAARNXDME-USTZCAOPSA-N 2 1 383.496 0.349 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122403 1196254521 /nfs/dbraw/zinc/25/45/21/1196254521.db2.gz KHXQXADFBFDAKW-GUDVDZBRSA-N 2 1 392.544 0.642 20 0 GCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122403 1196254523 /nfs/dbraw/zinc/25/45/23/1196254523.db2.gz KHXQXADFBFDAKW-GUDVDZBRSA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122403 1196254525 /nfs/dbraw/zinc/25/45/25/1196254525.db2.gz KHXQXADFBFDAKW-GUDVDZBRSA-N 2 1 392.544 0.642 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)[nH]n1 ZINC000665529949 1196304788 /nfs/dbraw/zinc/30/47/88/1196304788.db2.gz YPNLZZJUIBGYAL-HUUCEWRRSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)n[nH]1 ZINC000665529949 1196304792 /nfs/dbraw/zinc/30/47/92/1196304792.db2.gz YPNLZZJUIBGYAL-HUUCEWRRSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC)n[nH]1 ZINC000665529949 1196304795 /nfs/dbraw/zinc/30/47/95/1196304795.db2.gz YPNLZZJUIBGYAL-HUUCEWRRSA-N 2 1 376.505 0.838 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1(C)C ZINC000281909782 1196345407 /nfs/dbraw/zinc/34/54/07/1196345407.db2.gz JDBGOWPURLULFQ-UHFFFAOYSA-N 2 1 385.472 0.348 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000281934654 1196350012 /nfs/dbraw/zinc/35/00/12/1196350012.db2.gz KDTYUOGGFMYNNZ-UHFFFAOYSA-N 2 1 389.544 0.871 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NCC1CC[NH+](C2CC2)CC1 ZINC000444977854 1196534348 /nfs/dbraw/zinc/53/43/48/1196534348.db2.gz USVQNKQBRUQBDY-UHFFFAOYSA-N 2 1 381.565 0.550 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626765 1196537734 /nfs/dbraw/zinc/53/77/34/1196537734.db2.gz QJHUPPUKBZSREX-MSOLQXFVSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626765 1196537740 /nfs/dbraw/zinc/53/77/40/1196537740.db2.gz QJHUPPUKBZSREX-MSOLQXFVSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000523626765 1196537743 /nfs/dbraw/zinc/53/77/43/1196537743.db2.gz QJHUPPUKBZSREX-MSOLQXFVSA-N 2 1 397.564 0.585 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cc[nH+]1 ZINC000446372892 1196640369 /nfs/dbraw/zinc/64/03/69/1196640369.db2.gz YGIHRRUKTLVRFW-PTSWNOGYSA-N 2 1 388.516 0.724 20 0 GCADMP CC[C@H](O)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000248488651 1196652538 /nfs/dbraw/zinc/65/25/38/1196652538.db2.gz MONJOYRGMZCPAO-IPMKNSEASA-N 2 1 382.549 0.852 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512951 1196687285 /nfs/dbraw/zinc/68/72/85/1196687285.db2.gz RJQOGTVIIIGFRC-ICSRJNTNSA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512951 1196687288 /nfs/dbraw/zinc/68/72/88/1196687288.db2.gz RJQOGTVIIIGFRC-ICSRJNTNSA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512951 1196687292 /nfs/dbraw/zinc/68/72/92/1196687292.db2.gz RJQOGTVIIIGFRC-ICSRJNTNSA-N 2 1 375.517 0.168 20 0 GCADMP C[NH+]1CCN(Cc2cc(Cl)cc(CN3CC[N@H+](C)C[C@@H]3CO)c2)[C@@H](CO)C1 ZINC000639867163 1196857355 /nfs/dbraw/zinc/85/73/55/1196857355.db2.gz KQVWCPGLCCOMGH-WOJBJXKFSA-N 2 1 396.963 0.557 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[NH+](C4CCOCC4)CC3)C2)CC1 ZINC000370057597 1196873632 /nfs/dbraw/zinc/87/36/32/1196873632.db2.gz YKJOGRFCEMNVJV-KRWDZBQOSA-N 2 1 379.549 0.661 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)NC[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000528682485 1196877725 /nfs/dbraw/zinc/87/77/25/1196877725.db2.gz QQCLTOBGNPVITE-SFHVURJKSA-N 2 1 389.500 0.503 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528717781 1196881195 /nfs/dbraw/zinc/88/11/95/1196881195.db2.gz FCKRGCULGKMARX-KRWDZBQOSA-N 2 1 387.484 0.939 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529306218 1196912206 /nfs/dbraw/zinc/91/22/06/1196912206.db2.gz NCIRXDRPHPSUOC-GOSISDBHSA-N 2 1 395.548 0.339 20 0 GCADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000529328796 1196915783 /nfs/dbraw/zinc/91/57/83/1196915783.db2.gz HBNXWNVETIKLOC-LJQANCHMSA-N 2 1 387.528 0.970 20 0 GCADMP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000529382213 1196918997 /nfs/dbraw/zinc/91/89/97/1196918997.db2.gz CKVUWLCAUXANIZ-WOJBJXKFSA-N 2 1 387.528 0.577 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000648120913 1196926470 /nfs/dbraw/zinc/92/64/70/1196926470.db2.gz VZDBBOYNHCOXIP-LJQANCHMSA-N 2 1 386.496 0.619 20 0 GCADMP CN(Cc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)ccc1F)[C@]1(CO)CCOC1 ZINC000450706873 1196949342 /nfs/dbraw/zinc/94/93/42/1196949342.db2.gz GSBMGGNHCOPOPG-UXHICEINSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1cc(C[N@@H+](C)[C@@]2(CO)CCOC2)ccc1F)[C@]1(CO)CCOC1 ZINC000450706873 1196949345 /nfs/dbraw/zinc/94/93/45/1196949345.db2.gz GSBMGGNHCOPOPG-UXHICEINSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000450706873 1196949350 /nfs/dbraw/zinc/94/93/50/1196949350.db2.gz GSBMGGNHCOPOPG-UXHICEINSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@]2(CO)CCOC2)c1)[C@@]1(CO)CCOC1 ZINC000450706873 1196949355 /nfs/dbraw/zinc/94/93/55/1196949355.db2.gz GSBMGGNHCOPOPG-UXHICEINSA-N 2 1 382.476 0.992 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576822 1196996091 /nfs/dbraw/zinc/99/60/91/1196996091.db2.gz PUKOHESHLZZMNY-UNMCSNQZSA-N 2 1 386.540 0.862 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814796 1197018435 /nfs/dbraw/zinc/01/84/35/1197018435.db2.gz HHYREYUIFHBERD-WIYYLYMNSA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530814796 1197018439 /nfs/dbraw/zinc/01/84/39/1197018439.db2.gz HHYREYUIFHBERD-WIYYLYMNSA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@@H]1CCC[NH+](CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530814796 1197018443 /nfs/dbraw/zinc/01/84/43/1197018443.db2.gz HHYREYUIFHBERD-WIYYLYMNSA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530814793 1197018717 /nfs/dbraw/zinc/01/87/17/1197018717.db2.gz HHYREYUIFHBERD-GHTZIAJQSA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530814793 1197018721 /nfs/dbraw/zinc/01/87/21/1197018721.db2.gz HHYREYUIFHBERD-GHTZIAJQSA-N 2 1 388.512 0.327 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000530814793 1197018726 /nfs/dbraw/zinc/01/87/26/1197018726.db2.gz HHYREYUIFHBERD-GHTZIAJQSA-N 2 1 388.512 0.327 20 0 GCADMP CC1[C@@H](C(=O)N2CC[C@]3(CC[NH+](C)C3)C2)[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000452127798 1197040671 /nfs/dbraw/zinc/04/06/71/1197040671.db2.gz SYTSVGCAARGDGH-UBBRYJJRSA-N 2 1 388.556 0.977 20 0 GCADMP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000531283207 1197061936 /nfs/dbraw/zinc/06/19/36/1197061936.db2.gz BQIKPAHSLYAOEW-AWEZNQCLSA-N 2 1 375.473 0.583 20 0 GCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000531283207 1197061939 /nfs/dbraw/zinc/06/19/39/1197061939.db2.gz BQIKPAHSLYAOEW-AWEZNQCLSA-N 2 1 375.473 0.583 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000531759065 1197095289 /nfs/dbraw/zinc/09/52/89/1197095289.db2.gz DWVWILKWQNLGAM-RBUKOAKNSA-N 2 1 381.565 0.691 20 0 GCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000532281217 1197138198 /nfs/dbraw/zinc/13/81/98/1197138198.db2.gz ITLICIGQDIYPKD-SLFFLAALSA-N 2 1 395.592 0.935 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)O1 ZINC000986334743 1197167087 /nfs/dbraw/zinc/16/70/87/1197167087.db2.gz YIKOYXQFOVBFIS-OQIJWPOYSA-N 2 1 392.544 0.354 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@@H]3C2)O1 ZINC000986334743 1197167091 /nfs/dbraw/zinc/16/70/91/1197167091.db2.gz YIKOYXQFOVBFIS-OQIJWPOYSA-N 2 1 392.544 0.354 20 0 GCADMP C(C[NH+]1CCC[C@@H]1CN1CCOCC1)C[N@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000173690046 1197178485 /nfs/dbraw/zinc/17/84/85/1197178485.db2.gz SNNNOZHJPTWLLU-NHCUHLMSSA-N 2 1 380.577 0.970 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000174744543 1197181930 /nfs/dbraw/zinc/18/19/30/1197181930.db2.gz NQDSTITULKOZLK-IBGZPJMESA-N 2 1 388.512 0.849 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000174744543 1197181931 /nfs/dbraw/zinc/18/19/31/1197181931.db2.gz NQDSTITULKOZLK-IBGZPJMESA-N 2 1 388.512 0.849 20 0 GCADMP O=C1NC[C@@H]2CN(Cc3ccc(C[N@@H+]4CCN5C(=O)NC[C@@H]5C4)cc3)CCN12 ZINC000175883911 1197185043 /nfs/dbraw/zinc/18/50/43/1197185043.db2.gz PTJHOVAKPTXJEG-QZTJIDSGSA-N 2 1 384.484 0.105 20 0 GCADMP O=C1NC[C@@H]2CN(Cc3ccc(C[N@H+]4CCN5C(=O)NC[C@@H]5C4)cc3)CCN12 ZINC000175883911 1197185050 /nfs/dbraw/zinc/18/50/50/1197185050.db2.gz PTJHOVAKPTXJEG-QZTJIDSGSA-N 2 1 384.484 0.105 20 0 GCADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177293562 1197191027 /nfs/dbraw/zinc/19/10/27/1197191027.db2.gz JPYSJZDZUSLWFX-HNNXBMFYSA-N 2 1 382.530 0.752 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000188832825 1197234443 /nfs/dbraw/zinc/23/44/43/1197234443.db2.gz WFSNBILKNAIVKC-SJORKVTESA-N 2 1 382.549 0.974 20 0 GCADMP CNC(=O)CN1CCC(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000028422225 1197268547 /nfs/dbraw/zinc/26/85/47/1197268547.db2.gz WHWCTTWBMHXSDM-UHFFFAOYSA-N 2 1 387.528 0.767 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000988274445 1197301219 /nfs/dbraw/zinc/30/12/19/1197301219.db2.gz FDTFYLQJKRAENY-AHCXZYCDSA-N 2 1 390.532 0.504 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCCN2CCc3sccc3C2)C1 ZINC000104791454 1197308525 /nfs/dbraw/zinc/30/85/25/1197308525.db2.gz NHWRZODMNXSVCQ-INIZCTEOSA-N 2 1 393.557 0.993 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000104791454 1197308526 /nfs/dbraw/zinc/30/85/26/1197308526.db2.gz NHWRZODMNXSVCQ-INIZCTEOSA-N 2 1 393.557 0.993 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NCC[NH+]2CCc3sccc3C2)C1 ZINC000104791454 1197308530 /nfs/dbraw/zinc/30/85/30/1197308530.db2.gz NHWRZODMNXSVCQ-INIZCTEOSA-N 2 1 393.557 0.993 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000104791454 1197308531 /nfs/dbraw/zinc/30/85/31/1197308531.db2.gz NHWRZODMNXSVCQ-INIZCTEOSA-N 2 1 393.557 0.993 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000104791454 1197308535 /nfs/dbraw/zinc/30/85/35/1197308535.db2.gz NHWRZODMNXSVCQ-INIZCTEOSA-N 2 1 393.557 0.993 20 0 GCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000897441048 1197330848 /nfs/dbraw/zinc/33/08/48/1197330848.db2.gz OLVWKRANCHQMGS-QGZVFWFLSA-N 2 1 388.516 0.050 20 0 GCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000897441048 1197330852 /nfs/dbraw/zinc/33/08/52/1197330852.db2.gz OLVWKRANCHQMGS-QGZVFWFLSA-N 2 1 388.516 0.050 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000332970578 1197348660 /nfs/dbraw/zinc/34/86/60/1197348660.db2.gz AYWAXBMFEZDCDG-ZWKOTPCHSA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000332970578 1197348663 /nfs/dbraw/zinc/34/86/63/1197348663.db2.gz AYWAXBMFEZDCDG-ZWKOTPCHSA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000332970578 1197348665 /nfs/dbraw/zinc/34/86/65/1197348665.db2.gz AYWAXBMFEZDCDG-ZWKOTPCHSA-N 2 1 395.548 0.291 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000459207670 1197349965 /nfs/dbraw/zinc/34/99/65/1197349965.db2.gz DKUXWPSMYAKMBO-SFHVURJKSA-N 2 1 398.548 0.620 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CCn1cncn1 ZINC001088574104 1197357668 /nfs/dbraw/zinc/35/76/68/1197357668.db2.gz CLEZDYZDLMNSCP-YSHGAJCASA-N 2 1 390.532 0.604 20 0 GCADMP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000666670389 1197362834 /nfs/dbraw/zinc/36/28/34/1197362834.db2.gz QYBSEVWMSHRLQN-KRWDZBQOSA-N 2 1 386.496 0.984 20 0 GCADMP C(C[NH+]1CC[C@H](CN2CCOCC2)C1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129179741 1197365450 /nfs/dbraw/zinc/36/54/50/1197365450.db2.gz QETJNDZFZGWLQV-SFTDATJTSA-N 2 1 380.577 0.685 20 0 GCADMP NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000130689695 1197372357 /nfs/dbraw/zinc/37/23/57/1197372357.db2.gz NWQXUBIGXNCMAF-SJORKVTESA-N 2 1 380.533 0.771 20 0 GCADMP NC(=O)[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000130689081 1197372625 /nfs/dbraw/zinc/37/26/25/1197372625.db2.gz NWQXUBIGXNCMAF-DLBZAZTESA-N 2 1 380.533 0.771 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000132708393 1197381198 /nfs/dbraw/zinc/38/11/98/1197381198.db2.gz VQJQJKVVUPOSRC-HNNXBMFYSA-N 2 1 377.493 0.215 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)[C@@H]2C)CC[N@@H+]1C ZINC001088579508 1197397780 /nfs/dbraw/zinc/39/77/80/1197397780.db2.gz LZCFGWBYECGNPO-BSWAZPDLSA-N 2 1 386.500 0.832 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cc(=O)n4nccc4[nH]3)[C@@H]2C)CC[N@H+]1C ZINC001088579508 1197397785 /nfs/dbraw/zinc/39/77/85/1197397785.db2.gz LZCFGWBYECGNPO-BSWAZPDLSA-N 2 1 386.500 0.832 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3cc(=O)n4nccc4[nH]3)[C@@H]2C)CC[NH+]1C ZINC001088579508 1197397788 /nfs/dbraw/zinc/39/77/88/1197397788.db2.gz LZCFGWBYECGNPO-BSWAZPDLSA-N 2 1 386.500 0.832 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3cc(=O)n4nccc4[nH]3)[C@@H]2C)CC[NH+]1C ZINC001088579508 1197397791 /nfs/dbraw/zinc/39/77/91/1197397791.db2.gz LZCFGWBYECGNPO-BSWAZPDLSA-N 2 1 386.500 0.832 20 0 GCADMP C[C@](O)(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411396 1197399133 /nfs/dbraw/zinc/39/91/33/1197399133.db2.gz QXGGVCSVZABIMY-FPOVZHCZSA-N 2 1 390.528 0.891 20 0 GCADMP C[C@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411396 1197399134 /nfs/dbraw/zinc/39/91/34/1197399134.db2.gz QXGGVCSVZABIMY-FPOVZHCZSA-N 2 1 390.528 0.891 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001746135440 1197400736 /nfs/dbraw/zinc/40/07/36/1197400736.db2.gz UCIJPGRLWFLNMH-UHFFFAOYSA-N 2 1 389.548 0.839 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897499532 1197413369 /nfs/dbraw/zinc/41/33/69/1197413369.db2.gz IULKDRSJKDDPHJ-ARFHVFGLSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897499532 1197413370 /nfs/dbraw/zinc/41/33/70/1197413370.db2.gz IULKDRSJKDDPHJ-ARFHVFGLSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897499532 1197413373 /nfs/dbraw/zinc/41/33/73/1197413373.db2.gz IULKDRSJKDDPHJ-ARFHVFGLSA-N 2 1 382.549 0.979 20 0 GCADMP C[NH+](C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC1=O ZINC000245598862 1197414309 /nfs/dbraw/zinc/41/43/09/1197414309.db2.gz UCRMRJFBHXBPTN-CEXWTWQISA-N 2 1 388.512 0.148 20 0 GCADMP CCCn1c(N)c(C(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(=O)[nH]c1=O ZINC000532963652 1197422607 /nfs/dbraw/zinc/42/26/07/1197422607.db2.gz IVZMNOYHBMTBFF-ZDUSSCGKSA-N 2 1 395.504 0.148 20 0 GCADMP CCCn1c(N)c(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(=O)[nH]c1=O ZINC000532963652 1197422611 /nfs/dbraw/zinc/42/26/11/1197422611.db2.gz IVZMNOYHBMTBFF-ZDUSSCGKSA-N 2 1 395.504 0.148 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000246351634 1197465404 /nfs/dbraw/zinc/46/54/04/1197465404.db2.gz DCVWCLIINIHSDQ-JKSUJKDBSA-N 2 1 376.505 0.716 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCC[NH+]2CCC(O)CC2)CC1=O ZINC000246571826 1197472911 /nfs/dbraw/zinc/47/29/11/1197472911.db2.gz AAARSLLYRXPXBE-DLBZAZTESA-N 2 1 380.533 0.282 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@@H+]3CC)C2)CC1 ZINC000247498353 1197476289 /nfs/dbraw/zinc/47/62/89/1197476289.db2.gz NACZDQQQWJLHKR-ZWKOTPCHSA-N 2 1 380.533 0.500 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C[C@H]3CCC[N@H+]3CC)C2)CC1 ZINC000247498353 1197476291 /nfs/dbraw/zinc/47/62/91/1197476291.db2.gz NACZDQQQWJLHKR-ZWKOTPCHSA-N 2 1 380.533 0.500 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261758427 1197513539 /nfs/dbraw/zinc/51/35/39/1197513539.db2.gz FUMRJTYVAJNQHU-FUHWJXTLSA-N 3 1 379.549 0.167 20 0 GCADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261758427 1197513545 /nfs/dbraw/zinc/51/35/45/1197513545.db2.gz FUMRJTYVAJNQHU-FUHWJXTLSA-N 2 1 379.549 0.167 20 0 GCADMP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261755920 1197513574 /nfs/dbraw/zinc/51/35/74/1197513574.db2.gz FPUCLEMEQGWPKY-KFWWJZLASA-N 2 1 381.521 0.579 20 0 GCADMP O=C(NCCc1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1)[C@@H]1CCC[NH2+]1 ZINC000261763351 1197514031 /nfs/dbraw/zinc/51/40/31/1197514031.db2.gz MORZURDEBGXWKH-KRWDZBQOSA-N 2 1 385.468 0.980 20 0 GCADMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261789481 1197514856 /nfs/dbraw/zinc/51/48/56/1197514856.db2.gz HYTLMQZWKMEWNN-MJGOQNOKSA-N 2 1 388.512 0.892 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261866262 1197516845 /nfs/dbraw/zinc/51/68/45/1197516845.db2.gz NOCIAYOYPDUGLC-DZGCQCFKSA-N 2 1 375.498 0.836 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(=O)n3ccsc3n2)C1)[C@H]1CCC[NH2+]1 ZINC000261866262 1197516848 /nfs/dbraw/zinc/51/68/48/1197516848.db2.gz NOCIAYOYPDUGLC-DZGCQCFKSA-N 2 1 375.498 0.836 20 0 GCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261873040 1197516872 /nfs/dbraw/zinc/51/68/72/1197516872.db2.gz OICYGGKGUZHAQH-ROUUACIJSA-N 2 1 379.549 0.121 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261885850 1197517372 /nfs/dbraw/zinc/51/73/72/1197517372.db2.gz PTZGANIZRDERRC-ARFHVFGLSA-N 2 1 381.521 0.437 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261885856 1197517526 /nfs/dbraw/zinc/51/75/26/1197517526.db2.gz PTZGANIZRDERRC-JYJNAYRXSA-N 2 1 381.521 0.437 20 0 GCADMP Cc1cccc(NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1C ZINC000262009464 1197522162 /nfs/dbraw/zinc/52/21/62/1197522162.db2.gz FHNCTGCIJYPWES-UHFFFAOYSA-N 2 1 387.528 0.681 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OCC(N)=O ZINC000262105554 1197525510 /nfs/dbraw/zinc/52/55/10/1197525510.db2.gz JLQGMOYIYDSAJW-CQSZACIVSA-N 2 1 382.892 0.692 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OCC(N)=O ZINC000262105554 1197525514 /nfs/dbraw/zinc/52/55/14/1197525514.db2.gz JLQGMOYIYDSAJW-CQSZACIVSA-N 2 1 382.892 0.692 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1)N1CC[NH2+]CC1 ZINC000262126201 1197525967 /nfs/dbraw/zinc/52/59/67/1197525967.db2.gz NQGSEIXWWKVRAG-UHFFFAOYSA-N 2 1 396.438 0.868 20 0 GCADMP CCO[C@H](C)c1noc(CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000262235285 1197527365 /nfs/dbraw/zinc/52/73/65/1197527365.db2.gz VTFQNLURYSVHCX-OAHLLOKOSA-N 2 1 380.493 0.107 20 0 GCADMP C[C@H]1NC(=O)N(CC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000459466830 1197581378 /nfs/dbraw/zinc/58/13/78/1197581378.db2.gz KFGNIAWBTWUSSZ-BZUAXINKSA-N 2 1 382.505 0.517 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010165 1199002764 /nfs/dbraw/zinc/00/27/64/1199002764.db2.gz UITUJQSKQAFGSL-VQIMIIECSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010165 1199002770 /nfs/dbraw/zinc/00/27/70/1199002770.db2.gz UITUJQSKQAFGSL-VQIMIIECSA-N 2 1 393.576 0.460 20 0 GCADMP Cn1cncc1CN1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795399 1199014271 /nfs/dbraw/zinc/01/42/71/1199014271.db2.gz ZINLUABTMDZDIQ-WCIQWLHISA-N 2 1 383.496 0.427 20 0 GCADMP CCC(C)(C)N1CCN(C(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000656059503 1199082388 /nfs/dbraw/zinc/08/23/88/1199082388.db2.gz BHPVSQLOQLVYTB-KRWDZBQOSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206934 1199160656 /nfs/dbraw/zinc/16/06/56/1199160656.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206934 1199160658 /nfs/dbraw/zinc/16/06/58/1199160658.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206934 1199160661 /nfs/dbraw/zinc/16/06/61/1199160661.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206934 1199160663 /nfs/dbraw/zinc/16/06/63/1199160663.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206934 1199160667 /nfs/dbraw/zinc/16/06/67/1199160667.db2.gz AXCOYTODSOXOQE-CRAIPNDOSA-N 3 1 379.549 0.212 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000672305716 1199197698 /nfs/dbraw/zinc/19/76/98/1199197698.db2.gz APXLLSMANHWFOS-GUDVDZBRSA-N 2 1 392.544 0.471 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672305676 1199198122 /nfs/dbraw/zinc/19/81/22/1199198122.db2.gz YRNULPWUDUQHHF-IBGZPJMESA-N 2 1 391.560 0.073 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672305371 1199198210 /nfs/dbraw/zinc/19/82/10/1199198210.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672305371 1199198212 /nfs/dbraw/zinc/19/82/12/1199198212.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH+](CC2CC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672305371 1199198215 /nfs/dbraw/zinc/19/82/15/1199198215.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305371 1199198222 /nfs/dbraw/zinc/19/82/22/1199198222.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 2 1 391.560 0.214 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672305371 1199198226 /nfs/dbraw/zinc/19/82/26/1199198226.db2.gz MIANWHXWXPFHDT-HKUYNNGSSA-N 2 1 391.560 0.214 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CCN1CCOC ZINC000672304134 1199198429 /nfs/dbraw/zinc/19/84/29/1199198429.db2.gz IRNIIYXTCSGAJJ-ZWKOTPCHSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CCOC ZINC000672304134 1199198431 /nfs/dbraw/zinc/19/84/31/1199198431.db2.gz IRNIIYXTCSGAJJ-ZWKOTPCHSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CCOC ZINC000672304134 1199198434 /nfs/dbraw/zinc/19/84/34/1199198434.db2.gz IRNIIYXTCSGAJJ-ZWKOTPCHSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CCOC ZINC000672304134 1199198436 /nfs/dbraw/zinc/19/84/36/1199198436.db2.gz IRNIIYXTCSGAJJ-ZWKOTPCHSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000672306660 1199200287 /nfs/dbraw/zinc/20/02/87/1199200287.db2.gz SHECPUYYLLRTNU-NZSAHSFTSA-N 2 1 391.560 0.071 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@H](C)C1 ZINC000672311217 1199201279 /nfs/dbraw/zinc/20/12/79/1199201279.db2.gz BALXTPFAOIKMOU-QRQLOZEOSA-N 2 1 394.560 0.840 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@@H]2C1 ZINC000672313430 1199204858 /nfs/dbraw/zinc/20/48/58/1199204858.db2.gz BLBUMUIGBODMKI-IAGOWNOFSA-N 2 1 378.517 0.300 20 0 GCADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672329682 1199209772 /nfs/dbraw/zinc/20/97/72/1199209772.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672329682 1199209780 /nfs/dbraw/zinc/20/97/80/1199209780.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672329682 1199209785 /nfs/dbraw/zinc/20/97/85/1199209785.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672329682 1199209791 /nfs/dbraw/zinc/20/97/91/1199209791.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CN(C(=O)C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672329682 1199209796 /nfs/dbraw/zinc/20/97/96/1199209796.db2.gz JQRIDMYHCQFNTJ-IBGZPJMESA-N 2 1 393.576 0.604 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952939 1199218559 /nfs/dbraw/zinc/21/85/59/1199218559.db2.gz SGFWBGSUMHFOJT-ROUUACIJSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952939 1199218563 /nfs/dbraw/zinc/21/85/63/1199218563.db2.gz SGFWBGSUMHFOJT-ROUUACIJSA-N 2 1 396.580 0.147 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000465952939 1199218565 /nfs/dbraw/zinc/21/85/65/1199218565.db2.gz SGFWBGSUMHFOJT-ROUUACIJSA-N 2 1 396.580 0.147 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2ccc(C)nc2N2CCCC2)C1 ZINC000672358614 1199218936 /nfs/dbraw/zinc/21/89/36/1199218936.db2.gz IVXZHPZWAFRJMU-KRWDZBQOSA-N 2 1 389.500 0.443 20 0 GCADMP CO[C@@H]1C[N@@H+](CCCOc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001212451459 1199227216 /nfs/dbraw/zinc/22/72/16/1199227216.db2.gz XODGSFZBILWLBW-VBSBHUPXSA-N 2 1 391.512 0.990 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672470639 1199242537 /nfs/dbraw/zinc/24/25/37/1199242537.db2.gz RMUDHAUDCOIUGC-SJLPKXTDSA-N 2 1 386.537 0.474 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000672470639 1199242539 /nfs/dbraw/zinc/24/25/39/1199242539.db2.gz RMUDHAUDCOIUGC-SJLPKXTDSA-N 2 1 386.537 0.474 20 0 GCADMP Cc1nc(C)c(CCNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000672487544 1199244965 /nfs/dbraw/zinc/24/49/65/1199244965.db2.gz OCBRIFKJRRCKFB-OAHLLOKOSA-N 2 1 393.557 0.703 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596848 1199277654 /nfs/dbraw/zinc/27/76/54/1199277654.db2.gz SDNWUBWKSDRCGQ-OALUTQOASA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672596848 1199277656 /nfs/dbraw/zinc/27/76/56/1199277656.db2.gz SDNWUBWKSDRCGQ-OALUTQOASA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672596848 1199277659 /nfs/dbraw/zinc/27/76/59/1199277659.db2.gz SDNWUBWKSDRCGQ-OALUTQOASA-N 2 1 387.528 0.081 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637333 1199289440 /nfs/dbraw/zinc/28/94/40/1199289440.db2.gz FAHJCBXESLGMID-KRWDZBQOSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637333 1199289443 /nfs/dbraw/zinc/28/94/43/1199289443.db2.gz FAHJCBXESLGMID-KRWDZBQOSA-N 2 1 391.560 0.358 20 0 GCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672637962 1199291329 /nfs/dbraw/zinc/29/13/29/1199291329.db2.gz BCLVISYFYOSOGC-KRWDZBQOSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672637962 1199291335 /nfs/dbraw/zinc/29/13/35/1199291335.db2.gz BCLVISYFYOSOGC-KRWDZBQOSA-N 2 1 379.549 0.071 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638229 1199291540 /nfs/dbraw/zinc/29/15/40/1199291540.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638229 1199291543 /nfs/dbraw/zinc/29/15/43/1199291543.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638229 1199291547 /nfs/dbraw/zinc/29/15/47/1199291547.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638229 1199291552 /nfs/dbraw/zinc/29/15/52/1199291552.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638229 1199291557 /nfs/dbraw/zinc/29/15/57/1199291557.db2.gz RBDGFKPQBPTDSG-ROUUACIJSA-N 2 1 393.576 0.652 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638642 1199291989 /nfs/dbraw/zinc/29/19/89/1199291989.db2.gz GEEFLIURIGZHEI-QZTJIDSGSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638642 1199291994 /nfs/dbraw/zinc/29/19/94/1199291994.db2.gz GEEFLIURIGZHEI-QZTJIDSGSA-N 2 1 393.576 0.509 20 0 GCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672637963 1199292065 /nfs/dbraw/zinc/29/20/65/1199292065.db2.gz BCLVISYFYOSOGC-QGZVFWFLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672637963 1199292069 /nfs/dbraw/zinc/29/20/69/1199292069.db2.gz BCLVISYFYOSOGC-QGZVFWFLSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640418 1199293384 /nfs/dbraw/zinc/29/33/84/1199293384.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640418 1199293391 /nfs/dbraw/zinc/29/33/91/1199293391.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640418 1199293398 /nfs/dbraw/zinc/29/33/98/1199293398.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640418 1199293405 /nfs/dbraw/zinc/29/34/05/1199293405.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640418 1199293413 /nfs/dbraw/zinc/29/34/13/1199293413.db2.gz DSHBYTKSWRQXOM-NVXWUHKLSA-N 2 1 377.533 0.038 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)C2)CC1 ZINC000672638938 1199294215 /nfs/dbraw/zinc/29/42/15/1199294215.db2.gz WIYZCLTZQMUMJE-SFHVURJKSA-N 2 1 393.576 0.461 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC(CC[NH+](C)C)CC3)C2)CC1 ZINC000672638938 1199294216 /nfs/dbraw/zinc/29/42/16/1199294216.db2.gz WIYZCLTZQMUMJE-SFHVURJKSA-N 2 1 393.576 0.461 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672639405 1199294598 /nfs/dbraw/zinc/29/45/98/1199294598.db2.gz BZTOXRNUJCDBCZ-IRXDYDNUSA-N 2 1 379.549 0.262 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672639405 1199294602 /nfs/dbraw/zinc/29/46/02/1199294602.db2.gz BZTOXRNUJCDBCZ-IRXDYDNUSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640242 1199296150 /nfs/dbraw/zinc/29/61/50/1199296150.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640242 1199296157 /nfs/dbraw/zinc/29/61/57/1199296157.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640242 1199296166 /nfs/dbraw/zinc/29/61/66/1199296166.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640242 1199296172 /nfs/dbraw/zinc/29/61/72/1199296172.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640242 1199296181 /nfs/dbraw/zinc/29/61/81/1199296181.db2.gz YDHZVODNMOJDQX-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296701 /nfs/dbraw/zinc/29/67/01/1199296701.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296705 /nfs/dbraw/zinc/29/67/05/1199296705.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296709 /nfs/dbraw/zinc/29/67/09/1199296709.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296712 /nfs/dbraw/zinc/29/67/12/1199296712.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)C2)CC1 ZINC000672640262 1199296717 /nfs/dbraw/zinc/29/67/17/1199296717.db2.gz UZECEMJDZHUADM-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640977 1199297956 /nfs/dbraw/zinc/29/79/56/1199297956.db2.gz HXJLNVHYIGFGFA-SJLPKXTDSA-N 2 1 395.592 0.754 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640977 1199297961 /nfs/dbraw/zinc/29/79/61/1199297961.db2.gz HXJLNVHYIGFGFA-SJLPKXTDSA-N 2 1 395.592 0.754 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641027 1199298550 /nfs/dbraw/zinc/29/85/50/1199298550.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641027 1199298553 /nfs/dbraw/zinc/29/85/53/1199298553.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641027 1199298557 /nfs/dbraw/zinc/29/85/57/1199298557.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641027 1199298560 /nfs/dbraw/zinc/29/85/60/1199298560.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641027 1199298564 /nfs/dbraw/zinc/29/85/64/1199298564.db2.gz KDNCJZSXYOZXFK-AOIWGVFYSA-N 2 1 391.560 0.214 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642503 1199300251 /nfs/dbraw/zinc/30/02/51/1199300251.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642503 1199300260 /nfs/dbraw/zinc/30/02/60/1199300260.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642503 1199300262 /nfs/dbraw/zinc/30/02/62/1199300262.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672642503 1199300266 /nfs/dbraw/zinc/30/02/66/1199300266.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672642503 1199300269 /nfs/dbraw/zinc/30/02/69/1199300269.db2.gz MSCRGSLXOQOOLT-NUJGCVRESA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642502 1199301674 /nfs/dbraw/zinc/30/16/74/1199301674.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642502 1199301675 /nfs/dbraw/zinc/30/16/75/1199301675.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642502 1199301683 /nfs/dbraw/zinc/30/16/83/1199301683.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672642502 1199301685 /nfs/dbraw/zinc/30/16/85/1199301685.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672642502 1199301690 /nfs/dbraw/zinc/30/16/90/1199301690.db2.gz MSCRGSLXOQOOLT-JFIYKMOQSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642951 1199303416 /nfs/dbraw/zinc/30/34/16/1199303416.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642951 1199303422 /nfs/dbraw/zinc/30/34/22/1199303422.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642951 1199303429 /nfs/dbraw/zinc/30/34/29/1199303429.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642951 1199303436 /nfs/dbraw/zinc/30/34/36/1199303436.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 2 1 393.576 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642951 1199303443 /nfs/dbraw/zinc/30/34/43/1199303443.db2.gz YNFGHJIABVSBOJ-KURKYZTESA-N 2 1 393.576 0.508 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641889 1199304283 /nfs/dbraw/zinc/30/42/83/1199304283.db2.gz ZRWWMVBPXJEVTR-APWZRJJASA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643052 1199305222 /nfs/dbraw/zinc/30/52/22/1199305222.db2.gz NNLLWSQBRZWBBZ-MJGOQNOKSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643052 1199305228 /nfs/dbraw/zinc/30/52/28/1199305228.db2.gz NNLLWSQBRZWBBZ-MJGOQNOKSA-N 2 1 391.560 0.358 20 0 GCADMP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(N(C)C(=O)CN2CC[NH+](C)CC2)cc1 ZINC000672656559 1199309846 /nfs/dbraw/zinc/30/98/46/1199309846.db2.gz VCGMEFXCEWZLJB-INIZCTEOSA-N 2 1 390.532 0.968 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672695613 1199315120 /nfs/dbraw/zinc/31/51/20/1199315120.db2.gz NGVFRSDJJJARHY-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000077644200 1199320340 /nfs/dbraw/zinc/32/03/40/1199320340.db2.gz OAJBLXHAMFYNOP-UHFFFAOYSA-N 2 1 381.565 0.768 20 0 GCADMP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C ZINC000672722646 1199321715 /nfs/dbraw/zinc/32/17/15/1199321715.db2.gz IUTLWQXFLCCEDY-QZTJIDSGSA-N 2 1 395.592 0.707 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672731623 1199323424 /nfs/dbraw/zinc/32/34/24/1199323424.db2.gz UVNSLQUPQAWIDD-QXAKKESOSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672731623 1199323432 /nfs/dbraw/zinc/32/34/32/1199323432.db2.gz UVNSLQUPQAWIDD-QXAKKESOSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000672731623 1199323436 /nfs/dbraw/zinc/32/34/36/1199323436.db2.gz UVNSLQUPQAWIDD-QXAKKESOSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672731623 1199323440 /nfs/dbraw/zinc/32/34/40/1199323440.db2.gz UVNSLQUPQAWIDD-QXAKKESOSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672731624 1199323486 /nfs/dbraw/zinc/32/34/86/1199323486.db2.gz UVNSLQUPQAWIDD-UHOSZYNNSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCO1 ZINC000672731624 1199323491 /nfs/dbraw/zinc/32/34/91/1199323491.db2.gz UVNSLQUPQAWIDD-UHOSZYNNSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@H+](C)CCO1 ZINC000672731624 1199323494 /nfs/dbraw/zinc/32/34/94/1199323494.db2.gz UVNSLQUPQAWIDD-UHOSZYNNSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672731624 1199323498 /nfs/dbraw/zinc/32/34/98/1199323498.db2.gz UVNSLQUPQAWIDD-UHOSZYNNSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000466001447 1199335671 /nfs/dbraw/zinc/33/56/71/1199335671.db2.gz XDXCMHICZPWJDI-ROUUACIJSA-N 2 1 381.565 0.670 20 0 GCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@H+]1CCO ZINC000672957622 1199377240 /nfs/dbraw/zinc/37/72/40/1199377240.db2.gz QYECJUSISKMKJC-ZWKOTPCHSA-N 2 1 382.549 0.852 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224377 1199488157 /nfs/dbraw/zinc/48/81/57/1199488157.db2.gz KUIOLHBKOVWEEO-SJORKVTESA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138134 1199490291 /nfs/dbraw/zinc/49/02/91/1199490291.db2.gz HEOYJEQRYPYVPJ-RBUKOAKNSA-N 2 1 383.581 0.652 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673269189 1199507345 /nfs/dbraw/zinc/50/73/45/1199507345.db2.gz YGKSEBIVWZTASQ-CRAIPNDOSA-N 2 1 389.500 0.250 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673269189 1199507350 /nfs/dbraw/zinc/50/73/50/1199507350.db2.gz YGKSEBIVWZTASQ-CRAIPNDOSA-N 2 1 389.500 0.250 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000673275240 1199512086 /nfs/dbraw/zinc/51/20/86/1199512086.db2.gz OXDQOAWDIXBZSH-SFHVURJKSA-N 2 1 393.576 0.463 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673293080 1199522793 /nfs/dbraw/zinc/52/27/93/1199522793.db2.gz VJAKPVVHZQYEKA-ZWKOTPCHSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673293080 1199522801 /nfs/dbraw/zinc/52/28/01/1199522801.db2.gz VJAKPVVHZQYEKA-ZWKOTPCHSA-N 2 1 394.560 0.984 20 0 GCADMP CC1([NH+]2CCC2)CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000922174712 1199533241 /nfs/dbraw/zinc/53/32/41/1199533241.db2.gz CLWVLABYLCLHJS-GOSISDBHSA-N 2 1 392.544 0.787 20 0 GCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922342819 1199735664 /nfs/dbraw/zinc/73/56/64/1199735664.db2.gz IQCVJPHNUDKDDA-FQEVSTJZSA-N 2 1 395.592 0.315 20 0 GCADMP CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000118122966 1199744861 /nfs/dbraw/zinc/74/48/61/1199744861.db2.gz OLWZJPWCPDDJRN-UHFFFAOYSA-N 2 1 391.472 0.551 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550177 1199781908 /nfs/dbraw/zinc/78/19/08/1199781908.db2.gz PTQSRXOEEOBVCC-PKOBYXMFSA-N 2 1 382.549 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625022739 1199892267 /nfs/dbraw/zinc/89/22/67/1199892267.db2.gz BCARWOAWJHPJNR-DLBZAZTESA-N 2 1 390.532 0.648 20 0 GCADMP CN1C(=O)C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000282412126 1199902697 /nfs/dbraw/zinc/90/26/97/1199902697.db2.gz GCHBXVHMJCCRQP-QFBILLFUSA-N 2 1 380.439 0.990 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706986 1199930919 /nfs/dbraw/zinc/93/09/19/1199930919.db2.gz MHOBTCADXTYOBL-UXHICEINSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000673706986 1199930920 /nfs/dbraw/zinc/93/09/20/1199930920.db2.gz MHOBTCADXTYOBL-UXHICEINSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000673706986 1199930923 /nfs/dbraw/zinc/93/09/23/1199930923.db2.gz MHOBTCADXTYOBL-UXHICEINSA-N 2 1 393.576 0.766 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2n2ccnn2)CC[N@@H+]1C ZINC001129004737 1200410800 /nfs/dbraw/zinc/41/08/00/1200410800.db2.gz WLGUPOACMNDNGR-OWYHZJEWSA-N 2 1 390.532 0.777 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](CCOCC3CCC3)C[C@@H]2n2ccnn2)CC[N@H+]1C ZINC001129004737 1200410805 /nfs/dbraw/zinc/41/08/05/1200410805.db2.gz WLGUPOACMNDNGR-OWYHZJEWSA-N 2 1 390.532 0.777 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](CCOCC3CCC3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004737 1200410807 /nfs/dbraw/zinc/41/08/07/1200410807.db2.gz WLGUPOACMNDNGR-OWYHZJEWSA-N 2 1 390.532 0.777 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](CCOCC3CCC3)C[C@@H]2n2ccnn2)CC[NH+]1C ZINC001129004737 1200410810 /nfs/dbraw/zinc/41/08/10/1200410810.db2.gz WLGUPOACMNDNGR-OWYHZJEWSA-N 2 1 390.532 0.777 20 0 GCADMP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064502 1200459281 /nfs/dbraw/zinc/45/92/81/1200459281.db2.gz IASMSFLCRJZBPD-JMXBOANYSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C/CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064502 1200459282 /nfs/dbraw/zinc/45/92/82/1200459282.db2.gz IASMSFLCRJZBPD-JMXBOANYSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064502 1200459288 /nfs/dbraw/zinc/45/92/88/1200459288.db2.gz IASMSFLCRJZBPD-JMXBOANYSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C/CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064502 1200459293 /nfs/dbraw/zinc/45/92/93/1200459293.db2.gz IASMSFLCRJZBPD-JMXBOANYSA-N 2 1 376.505 0.695 20 0 GCADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817657 1200461137 /nfs/dbraw/zinc/46/11/37/1200461137.db2.gz WLDBXGYPDBVENI-ROUUACIJSA-N 2 1 390.594 0.290 20 0 GCADMP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917972 1200467520 /nfs/dbraw/zinc/46/75/20/1200467520.db2.gz KLSOWUCYXVTCHC-RTBURBONSA-N 2 1 385.512 0.811 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000675917972 1200467528 /nfs/dbraw/zinc/46/75/28/1200467528.db2.gz KLSOWUCYXVTCHC-RTBURBONSA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000675917972 1200467535 /nfs/dbraw/zinc/46/75/35/1200467535.db2.gz KLSOWUCYXVTCHC-RTBURBONSA-N 2 1 385.512 0.811 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000675917972 1200467538 /nfs/dbraw/zinc/46/75/38/1200467538.db2.gz KLSOWUCYXVTCHC-RTBURBONSA-N 2 1 385.512 0.811 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278232 1200527199 /nfs/dbraw/zinc/52/71/99/1200527199.db2.gz GJRXTPIZTPPDET-PBHICJAKSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278232 1200527203 /nfs/dbraw/zinc/52/72/03/1200527203.db2.gz GJRXTPIZTPPDET-PBHICJAKSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000676279819 1200530222 /nfs/dbraw/zinc/53/02/22/1200530222.db2.gz QPAYJZRYPNNUIY-CRAIPNDOSA-N 2 1 392.500 0.791 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000676279819 1200530227 /nfs/dbraw/zinc/53/02/27/1200530227.db2.gz QPAYJZRYPNNUIY-CRAIPNDOSA-N 2 1 392.500 0.791 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676280021 1200531277 /nfs/dbraw/zinc/53/12/77/1200531277.db2.gz QPAYJZRYPNNUIY-QAPCUYQASA-N 2 1 392.500 0.791 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676280021 1200531284 /nfs/dbraw/zinc/53/12/84/1200531284.db2.gz QPAYJZRYPNNUIY-QAPCUYQASA-N 2 1 392.500 0.791 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)n1 ZINC000371269582 1200636339 /nfs/dbraw/zinc/63/63/39/1200636339.db2.gz AXWNUZCYPCYPIT-SFHVURJKSA-N 2 1 398.511 1.116 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373250200 1200660325 /nfs/dbraw/zinc/66/03/25/1200660325.db2.gz OCWFFECNJKLDDQ-MRXNPFEDSA-N 2 1 390.532 1.421 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC)O1 ZINC000187498824 1200715298 /nfs/dbraw/zinc/71/52/98/1200715298.db2.gz QGMXXCAUCLINSM-XLAORIBOSA-N 2 1 380.533 0.735 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2CC)O1 ZINC000187498824 1200715306 /nfs/dbraw/zinc/71/53/06/1200715306.db2.gz QGMXXCAUCLINSM-XLAORIBOSA-N 2 1 380.533 0.735 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2CC)O1 ZINC000187498824 1200715314 /nfs/dbraw/zinc/71/53/14/1200715314.db2.gz QGMXXCAUCLINSM-XLAORIBOSA-N 2 1 380.533 0.735 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000375747333 1200760937 /nfs/dbraw/zinc/76/09/37/1200760937.db2.gz WFUDPRZFDHBMNV-MRXNPFEDSA-N 2 1 376.505 0.887 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000375747333 1200760944 /nfs/dbraw/zinc/76/09/44/1200760944.db2.gz WFUDPRZFDHBMNV-MRXNPFEDSA-N 2 1 376.505 0.887 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N(C)CCOCC[NH3+] ZINC000625854044 1200805253 /nfs/dbraw/zinc/80/52/53/1200805253.db2.gz TVJPZGZZQOCFHR-UHFFFAOYSA-N 2 1 393.488 0.522 20 0 GCADMP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1 ZINC000554862675 1200834392 /nfs/dbraw/zinc/83/43/92/1200834392.db2.gz KLNYVLJSCOGUJP-UHFFFAOYSA-N 2 1 385.468 1.489 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[NH+](C)C2CC2)O1)[N@@H+](C)C1CC1 ZINC000189067875 1200853356 /nfs/dbraw/zinc/85/33/56/1200853356.db2.gz KLEDDGPXOFRLMM-MHGIMSBQSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)C2CC2)O1)[NH+](C)C1CC1 ZINC000189067875 1200853359 /nfs/dbraw/zinc/85/33/59/1200853359.db2.gz KLEDDGPXOFRLMM-MHGIMSBQSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C2CC2)O1)[NH+](C)C1CC1 ZINC000189067875 1200853368 /nfs/dbraw/zinc/85/33/68/1200853368.db2.gz KLEDDGPXOFRLMM-MHGIMSBQSA-N 2 1 380.533 0.732 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373422 1200914847 /nfs/dbraw/zinc/91/48/47/1200914847.db2.gz RPHYMZITQUPSJW-LNLFQRSKSA-N 2 1 383.533 0.979 20 0 GCADMP COC(=O)[C@H]1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)[C@H]1C(C)C ZINC000429373422 1200914850 /nfs/dbraw/zinc/91/48/50/1200914850.db2.gz RPHYMZITQUPSJW-LNLFQRSKSA-N 2 1 383.533 0.979 20 0 GCADMP CCOc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283312 1200924717 /nfs/dbraw/zinc/92/47/17/1200924717.db2.gz UVCFPMIPBDNREX-MSOLQXFVSA-N 2 1 391.512 0.969 20 0 GCADMP COCCN(C)C[C@H](O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000923396550 1200988912 /nfs/dbraw/zinc/98/89/12/1200988912.db2.gz DXSLCFDBVOJPLJ-SFHVURJKSA-N 2 1 379.549 0.995 20 0 GCADMP Cc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)sc1S(N)(=O)=O ZINC000584542149 1201012023 /nfs/dbraw/zinc/01/20/23/1201012023.db2.gz CPEKEELBVOXDCI-UHFFFAOYSA-N 2 1 396.542 1.118 20 0 GCADMP CN(C(=O)C(=O)Nc1cc2n(n1)CCCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376839621 1201060469 /nfs/dbraw/zinc/06/04/69/1201060469.db2.gz RVKHQPDIDRHFKL-KRWDZBQOSA-N 2 1 388.516 0.785 20 0 GCADMP CN(C(=O)C(=O)Nc1cc2n(n1)CCCC2)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376839621 1201060480 /nfs/dbraw/zinc/06/04/80/1201060480.db2.gz RVKHQPDIDRHFKL-KRWDZBQOSA-N 2 1 388.516 0.785 20 0 GCADMP O=S(=O)(c1ccc(OCC[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1)N1CCOCC1 ZINC000923520280 1201062368 /nfs/dbraw/zinc/06/23/68/1201062368.db2.gz QUNYRTIXIHJWSF-DLBZAZTESA-N 2 1 395.525 0.628 20 0 GCADMP O=C(C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000923520804 1201062769 /nfs/dbraw/zinc/06/27/69/1201062769.db2.gz PEWLNRJXYVYONN-DLBZAZTESA-N 2 1 392.525 0.061 20 0 GCADMP O=C(C[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000923520804 1201062788 /nfs/dbraw/zinc/06/27/88/1201062788.db2.gz PEWLNRJXYVYONN-DLBZAZTESA-N 2 1 392.525 0.061 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[N@@H+]1C ZINC000409749269 1201136619 /nfs/dbraw/zinc/13/66/19/1201136619.db2.gz HSTPOIJKFAANEN-VHDGCEQUSA-N 2 1 377.493 0.463 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([NH+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[N@H+]1C ZINC000409749269 1201136621 /nfs/dbraw/zinc/13/66/21/1201136621.db2.gz HSTPOIJKFAANEN-VHDGCEQUSA-N 2 1 377.493 0.463 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[NH+]1C ZINC000409749269 1201136626 /nfs/dbraw/zinc/13/66/26/1201136626.db2.gz HSTPOIJKFAANEN-VHDGCEQUSA-N 2 1 377.493 0.463 20 0 GCADMP C[C@@H]1[C@H](NC(=O)N2CC[C@H]([N@@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)CCC[NH+]1C ZINC000409749269 1201136633 /nfs/dbraw/zinc/13/66/33/1201136633.db2.gz HSTPOIJKFAANEN-VHDGCEQUSA-N 2 1 377.493 0.463 20 0 GCADMP C[NH+](C)CC1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1 ZINC000546843668 1201155713 /nfs/dbraw/zinc/15/57/13/1201155713.db2.gz UKPKLANJABAQTF-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNS(=O)(=O)N3CC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000923588264 1201168404 /nfs/dbraw/zinc/16/84/04/1201168404.db2.gz IPVPGUQIINFNLI-IYBDPMFKSA-N 2 1 382.530 0.535 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)CC1 ZINC000611546482 1201245043 /nfs/dbraw/zinc/24/50/43/1201245043.db2.gz HAPSVRHBSHMJSX-KRWDZBQOSA-N 2 1 397.483 0.444 20 0 GCADMP CNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]3COC[C@@H]32)CC1 ZINC001079243114 1201251478 /nfs/dbraw/zinc/25/14/78/1201251478.db2.gz MKFINCNEWYIZFZ-WCXIOVBPSA-N 2 1 378.517 0.012 20 0 GCADMP C[C@@H]1C[N@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717298 1201253942 /nfs/dbraw/zinc/25/39/42/1201253942.db2.gz APPFSAUWGJUYSF-MYZZLAAOSA-N 2 1 380.533 0.258 20 0 GCADMP C[C@@H]1C[N@@H+](CC(=O)N(C)C)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717298 1201253945 /nfs/dbraw/zinc/25/39/45/1201253945.db2.gz APPFSAUWGJUYSF-MYZZLAAOSA-N 2 1 380.533 0.258 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2C)CC[N@@H+]1C ZINC001079730570 1201255069 /nfs/dbraw/zinc/25/50/69/1201255069.db2.gz BZHZUOOUKVUVRR-BZZMCLGOSA-N 2 1 385.574 0.978 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CC3CCS(=O)(=O)CC3)C[C@H]2C)CC[N@H+]1C ZINC001079730570 1201255072 /nfs/dbraw/zinc/25/50/72/1201255072.db2.gz BZHZUOOUKVUVRR-BZZMCLGOSA-N 2 1 385.574 0.978 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CC3CCS(=O)(=O)CC3)C[C@H]2C)CC[NH+]1C ZINC001079730570 1201255075 /nfs/dbraw/zinc/25/50/75/1201255075.db2.gz BZHZUOOUKVUVRR-BZZMCLGOSA-N 2 1 385.574 0.978 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CC3CCS(=O)(=O)CC3)C[C@H]2C)CC[NH+]1C ZINC001079730570 1201255077 /nfs/dbraw/zinc/25/50/77/1201255077.db2.gz BZHZUOOUKVUVRR-BZZMCLGOSA-N 2 1 385.574 0.978 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnon1 ZINC001082518246 1201336434 /nfs/dbraw/zinc/33/64/34/1201336434.db2.gz GMRKUVHXGKYGBQ-PILAGYSTSA-N 2 1 377.489 0.753 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[N@H+]1C ZINC001083087671 1201385705 /nfs/dbraw/zinc/38/57/05/1201385705.db2.gz XPEMONLNVRINQM-ZSYWTGECSA-N 2 1 388.512 0.527 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[NH+]1C ZINC001083087671 1201385714 /nfs/dbraw/zinc/38/57/14/1201385714.db2.gz XPEMONLNVRINQM-ZSYWTGECSA-N 2 1 388.512 0.527 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](Cc4ccn(C)c(=O)c4)C[C@@H]32)CC[NH+]1C ZINC001083087671 1201385728 /nfs/dbraw/zinc/38/57/28/1201385728.db2.gz XPEMONLNVRINQM-ZSYWTGECSA-N 2 1 388.512 0.527 20 0 GCADMP C[C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)CN1CC[NH+](C)CC1 ZINC000175797394 1201483029 /nfs/dbraw/zinc/48/30/29/1201483029.db2.gz OYWADTMACXYZOB-SFHVURJKSA-N 2 1 381.565 0.624 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084944771 1201503077 /nfs/dbraw/zinc/50/30/77/1201503077.db2.gz MDWZSQLLWSRKRA-XDNAFOTISA-N 2 1 390.528 0.789 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944771 1201503079 /nfs/dbraw/zinc/50/30/79/1201503079.db2.gz MDWZSQLLWSRKRA-XDNAFOTISA-N 2 1 390.528 0.789 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[NH+]1C ZINC001084944771 1201503081 /nfs/dbraw/zinc/50/30/81/1201503081.db2.gz MDWZSQLLWSRKRA-XDNAFOTISA-N 2 1 390.528 0.789 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084943781 1201503182 /nfs/dbraw/zinc/50/31/82/1201503182.db2.gz ZTLCJDLYDDKWCM-VQHPVUNQSA-N 2 1 376.501 0.398 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[NH+]1C ZINC001084943781 1201503185 /nfs/dbraw/zinc/50/31/85/1201503185.db2.gz ZTLCJDLYDDKWCM-VQHPVUNQSA-N 2 1 376.501 0.398 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)[C@H]3C2)CC[NH+]1C ZINC001084943781 1201503188 /nfs/dbraw/zinc/50/31/88/1201503188.db2.gz ZTLCJDLYDDKWCM-VQHPVUNQSA-N 2 1 376.501 0.398 20 0 GCADMP CNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C3CC[NH+](C)CC3)C[C@@H]21 ZINC001084942475 1201503895 /nfs/dbraw/zinc/50/38/95/1201503895.db2.gz YGSGOFCBJXLJQE-LBKNJMOBSA-N 2 1 392.544 0.402 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)O1 ZINC001085242077 1201647607 /nfs/dbraw/zinc/64/76/07/1201647607.db2.gz BCQVYGUGUZULEH-BRSBDYLESA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCCCC2)O1 ZINC001085242077 1201647610 /nfs/dbraw/zinc/64/76/10/1201647610.db2.gz BCQVYGUGUZULEH-BRSBDYLESA-N 2 1 380.533 0.735 20 0 GCADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)n1 ZINC001085242648 1201648060 /nfs/dbraw/zinc/64/80/60/1201648060.db2.gz ASYUSNQGEUORON-MWQQHZPXSA-N 2 1 377.489 0.721 20 0 GCADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085242648 1201648061 /nfs/dbraw/zinc/64/80/61/1201648061.db2.gz ASYUSNQGEUORON-MWQQHZPXSA-N 2 1 377.489 0.721 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000735592360 1201694418 /nfs/dbraw/zinc/69/44/18/1201694418.db2.gz DRKDLSCVCPMQQJ-WMZOPIPTSA-N 2 1 390.484 0.545 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741500232 1201780275 /nfs/dbraw/zinc/78/02/75/1201780275.db2.gz GNRIWTAIBWIGJS-OAHLLOKOSA-N 2 1 381.550 0.332 20 0 GCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000743978689 1201831819 /nfs/dbraw/zinc/83/18/19/1201831819.db2.gz NBWBJXNYWYVYHJ-KRWDZBQOSA-N 2 1 387.528 0.973 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000745824675 1201891650 /nfs/dbraw/zinc/89/16/50/1201891650.db2.gz KWZHNQBBKOZOAK-MJGOQNOKSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000746041495 1201897175 /nfs/dbraw/zinc/89/71/75/1201897175.db2.gz SWLPVHOOCIHXGV-AWEZNQCLSA-N 2 1 375.473 0.726 20 0 GCADMP C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000746041495 1201897179 /nfs/dbraw/zinc/89/71/79/1201897179.db2.gz SWLPVHOOCIHXGV-AWEZNQCLSA-N 2 1 375.473 0.726 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001169205593 1201940221 /nfs/dbraw/zinc/94/02/21/1201940221.db2.gz FYCSBJPZJCJCTA-OAGGEKHMSA-N 2 1 388.516 0.486 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001169205593 1201940224 /nfs/dbraw/zinc/94/02/24/1201940224.db2.gz FYCSBJPZJCJCTA-OAGGEKHMSA-N 2 1 388.516 0.486 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC001169205593 1201940225 /nfs/dbraw/zinc/94/02/25/1201940225.db2.gz FYCSBJPZJCJCTA-OAGGEKHMSA-N 2 1 388.516 0.486 20 0 GCADMP CC(C)(C)C(=O)Nc1ccc(C[N@H+]2CC[C@H](CO)C2)nc1-n1nncc1C[NH3+] ZINC001169309058 1201942142 /nfs/dbraw/zinc/94/21/42/1201942142.db2.gz XRDPAAVKNQUTCP-ZDUSSCGKSA-N 2 1 387.488 0.920 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945598 1201960110 /nfs/dbraw/zinc/96/01/10/1201960110.db2.gz KWXUEAVFYDVIKW-FGTMMUONSA-N 2 1 381.517 0.783 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945598 1201960113 /nfs/dbraw/zinc/96/01/13/1201960113.db2.gz KWXUEAVFYDVIKW-FGTMMUONSA-N 2 1 381.517 0.783 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCCC4(C3)OCCO4)CC[C@@H]2C1 ZINC001169945598 1201960114 /nfs/dbraw/zinc/96/01/14/1201960114.db2.gz KWXUEAVFYDVIKW-FGTMMUONSA-N 2 1 381.517 0.783 20 0 GCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294248 1202015129 /nfs/dbraw/zinc/01/51/29/1202015129.db2.gz OTEQDEGHZGBCMM-OWSLCNJRSA-N 2 1 377.533 0.757 20 0 GCADMP CC(C)NC(=O)NCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109294248 1202015132 /nfs/dbraw/zinc/01/51/32/1202015132.db2.gz OTEQDEGHZGBCMM-OWSLCNJRSA-N 2 1 377.533 0.757 20 0 GCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCO)CC1 ZINC001109301878 1202017836 /nfs/dbraw/zinc/01/78/36/1202017836.db2.gz OIZAYVXUINBBEM-SLHNCBLASA-N 2 1 395.544 0.464 20 0 GCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCN2C(=O)CNC2=O)CCC1 ZINC001109400675 1202038558 /nfs/dbraw/zinc/03/85/58/1202038558.db2.gz QCTIGPYTOHCTKT-ILXRZTDVSA-N 2 1 377.489 0.134 20 0 GCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)CN2CCCC2=O)CCC1 ZINC001109403792 1202039171 /nfs/dbraw/zinc/03/91/71/1202039171.db2.gz ZBJFNOFATJSZQU-NCOADZHNSA-N 2 1 378.517 0.176 20 0 GCADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3[C@@H]2CCC(=O)NC2=O)CCCC1 ZINC001109565542 1202081682 /nfs/dbraw/zinc/08/16/82/1202081682.db2.gz SPUVZXXTFBFYDQ-FXUDXRNXSA-N 2 1 376.501 0.778 20 0 GCADMP C[NH+](C)C1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3[C@@H]2CCC(=O)NC2=O)CCCC1 ZINC001109565542 1202081684 /nfs/dbraw/zinc/08/16/84/1202081684.db2.gz SPUVZXXTFBFYDQ-FXUDXRNXSA-N 2 1 376.501 0.778 20 0 GCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109653874 1202098814 /nfs/dbraw/zinc/09/88/14/1202098814.db2.gz KNQZCVMYQJQGRU-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001109732897 1202114976 /nfs/dbraw/zinc/11/49/76/1202114976.db2.gz ATOLOSRFXULPOW-MHORFTMASA-N 2 1 378.517 0.441 20 0 GCADMP C[C@@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001109732897 1202114979 /nfs/dbraw/zinc/11/49/79/1202114979.db2.gz ATOLOSRFXULPOW-MHORFTMASA-N 2 1 378.517 0.441 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1CCCC1=O ZINC001109849103 1202134925 /nfs/dbraw/zinc/13/49/25/1202134925.db2.gz CNFBDHFFFCXTOL-SQNIBIBYSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1CCCC1=O ZINC001109849103 1202134926 /nfs/dbraw/zinc/13/49/26/1202134926.db2.gz CNFBDHFFFCXTOL-SQNIBIBYSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOC[C@H]1CCCO1 ZINC001109847784 1202134936 /nfs/dbraw/zinc/13/49/36/1202134936.db2.gz HFLCFDSKLZEXFC-YRXWBPOGSA-N 2 1 381.517 0.626 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOC[C@H]1CCCO1 ZINC001109847784 1202134937 /nfs/dbraw/zinc/13/49/37/1202134937.db2.gz HFLCFDSKLZEXFC-YRXWBPOGSA-N 2 1 381.517 0.626 20 0 GCADMP O=C(CCN1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)CC(F)(F)F ZINC001109847721 1202134951 /nfs/dbraw/zinc/13/49/51/1202134951.db2.gz DLLTVCZIPBTQBB-QPSCCSFWSA-N 2 1 379.423 0.744 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109847903 1202135194 /nfs/dbraw/zinc/13/51/94/1202135194.db2.gz MYQVHOUYBOMLBB-MHORFTMASA-N 2 1 378.517 0.347 20 0 GCADMP O=C(CC[NH+]1CCOCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC001109847903 1202135196 /nfs/dbraw/zinc/13/51/96/1202135196.db2.gz MYQVHOUYBOMLBB-MHORFTMASA-N 2 1 378.517 0.347 20 0 GCADMP CCCCCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001109856706 1202137509 /nfs/dbraw/zinc/13/75/09/1202137509.db2.gz YYZLYQUHAHYTIC-WCVJEAGWSA-N 2 1 381.521 0.803 20 0 GCADMP CCCCCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(N)=O ZINC001109856706 1202137510 /nfs/dbraw/zinc/13/75/10/1202137510.db2.gz YYZLYQUHAHYTIC-WCVJEAGWSA-N 2 1 381.521 0.803 20 0 GCADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(N)=O ZINC001109856706 1202137512 /nfs/dbraw/zinc/13/75/12/1202137512.db2.gz YYZLYQUHAHYTIC-WCVJEAGWSA-N 2 1 381.521 0.803 20 0 GCADMP CCCCCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC001109856706 1202137515 /nfs/dbraw/zinc/13/75/15/1202137515.db2.gz YYZLYQUHAHYTIC-WCVJEAGWSA-N 2 1 381.521 0.803 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001109879875 1202140625 /nfs/dbraw/zinc/14/06/25/1202140625.db2.gz OVOGSKSXDIKOHB-QYZOEREBSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@H](C(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900591 1202146118 /nfs/dbraw/zinc/14/61/18/1202146118.db2.gz XIVFUMNAFIDUHJ-WCZJQEMASA-N 2 1 378.517 0.486 20 0 GCADMP C[C@H](C(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900591 1202146119 /nfs/dbraw/zinc/14/61/19/1202146119.db2.gz XIVFUMNAFIDUHJ-WCZJQEMASA-N 2 1 378.517 0.486 20 0 GCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109928249 1202151677 /nfs/dbraw/zinc/15/16/77/1202151677.db2.gz NRIWEGMGCGVMIQ-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109928249 1202151680 /nfs/dbraw/zinc/15/16/80/1202151680.db2.gz NRIWEGMGCGVMIQ-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O ZINC001109928249 1202151682 /nfs/dbraw/zinc/15/16/82/1202151682.db2.gz NRIWEGMGCGVMIQ-ILXRZTDVSA-N 2 1 379.505 0.380 20 0 GCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928331 1202152238 /nfs/dbraw/zinc/15/22/38/1202152238.db2.gz QVFJCYCPHJNCMY-OJLVUWQFSA-N 2 1 379.505 0.426 20 0 GCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928331 1202152239 /nfs/dbraw/zinc/15/22/39/1202152239.db2.gz QVFJCYCPHJNCMY-OJLVUWQFSA-N 2 1 379.505 0.426 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928331 1202152241 /nfs/dbraw/zinc/15/22/41/1202152241.db2.gz QVFJCYCPHJNCMY-OJLVUWQFSA-N 2 1 379.505 0.426 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928331 1202152242 /nfs/dbraw/zinc/15/22/42/1202152242.db2.gz QVFJCYCPHJNCMY-OJLVUWQFSA-N 2 1 379.505 0.426 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H]1CCN(C(C)(C)C)C1=O ZINC001109980683 1202166288 /nfs/dbraw/zinc/16/62/88/1202166288.db2.gz WJLAEBBSDZPZBT-QZWWFDLISA-N 2 1 380.533 0.686 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H]1CCN(C(C)(C)C)C1=O ZINC001109980683 1202166293 /nfs/dbraw/zinc/16/62/93/1202166293.db2.gz WJLAEBBSDZPZBT-QZWWFDLISA-N 2 1 380.533 0.686 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000787652312 1205397641 /nfs/dbraw/zinc/39/76/41/1205397641.db2.gz ILCKNDGIQKJHRY-HRCADAONSA-N 2 1 380.514 0.446 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000787652312 1205397642 /nfs/dbraw/zinc/39/76/42/1205397642.db2.gz ILCKNDGIQKJHRY-HRCADAONSA-N 2 1 380.514 0.446 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787910566 1205406966 /nfs/dbraw/zinc/40/69/66/1205406966.db2.gz ONZYQTSVHOUDJC-KZNAEPCWSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787910566 1205406968 /nfs/dbraw/zinc/40/69/68/1205406968.db2.gz ONZYQTSVHOUDJC-KZNAEPCWSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787910566 1205406971 /nfs/dbraw/zinc/40/69/71/1205406971.db2.gz ONZYQTSVHOUDJC-KZNAEPCWSA-N 2 1 380.533 0.594 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000788796918 1205429605 /nfs/dbraw/zinc/42/96/05/1205429605.db2.gz JQOQUPZTJRAHLL-HNNXBMFYSA-N 2 1 382.468 0.792 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000788796918 1205429608 /nfs/dbraw/zinc/42/96/08/1205429608.db2.gz JQOQUPZTJRAHLL-HNNXBMFYSA-N 2 1 382.468 0.792 20 0 GCADMP CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)NCCC[NH+]2CCC(O)CC2)CC1 ZINC000792186388 1205484764 /nfs/dbraw/zinc/48/47/64/1205484764.db2.gz AGEHMMTZGVXASJ-UHFFFAOYSA-N 2 1 398.548 0.892 20 0 GCADMP Cn1cc([C@@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC001170434621 1205500269 /nfs/dbraw/zinc/50/02/69/1205500269.db2.gz JQNZRMXQAZRULS-SFHVURJKSA-N 2 1 375.517 0.780 20 0 GCADMP Cn1cc([C@@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC001170434621 1205500270 /nfs/dbraw/zinc/50/02/70/1205500270.db2.gz JQNZRMXQAZRULS-SFHVURJKSA-N 2 1 375.517 0.780 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000793718018 1205503486 /nfs/dbraw/zinc/50/34/86/1205503486.db2.gz AEAQOSYGOIPAII-DLBZAZTESA-N 2 1 395.548 0.036 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)[NH+](C)C)cc1 ZINC000793717051 1205503509 /nfs/dbraw/zinc/50/35/09/1205503509.db2.gz DGGVIOHSIFHRDF-QYZOEREBSA-N 2 1 388.512 0.693 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702059 1205504250 /nfs/dbraw/zinc/50/42/50/1205504250.db2.gz RXPSMYCTYWTJPA-QZTJIDSGSA-N 2 1 379.549 0.215 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702065 1205504272 /nfs/dbraw/zinc/50/42/72/1205504272.db2.gz RXPSMYCTYWTJPA-ZWKOTPCHSA-N 2 1 379.549 0.215 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738017 1205505478 /nfs/dbraw/zinc/50/54/78/1205505478.db2.gz MUHOHKUMWCNXQU-KRWDZBQOSA-N 2 1 393.576 0.650 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)C2)CC1 ZINC000793738017 1205505480 /nfs/dbraw/zinc/50/54/80/1205505480.db2.gz MUHOHKUMWCNXQU-KRWDZBQOSA-N 2 1 393.576 0.650 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)C1 ZINC000793738790 1205505636 /nfs/dbraw/zinc/50/56/36/1205505636.db2.gz VTNMRURWZNYVMH-GOSISDBHSA-N 2 1 393.576 0.604 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000793806356 1205506417 /nfs/dbraw/zinc/50/64/17/1205506417.db2.gz MDCFBLSXTQEHBC-CQSZACIVSA-N 2 1 382.468 0.959 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000793806356 1205506419 /nfs/dbraw/zinc/50/64/19/1205506419.db2.gz MDCFBLSXTQEHBC-CQSZACIVSA-N 2 1 382.468 0.959 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101661 1205506430 /nfs/dbraw/zinc/50/64/30/1205506430.db2.gz YYBZRGOWEVMAMP-MQYQWHSLSA-N 2 1 376.423 0.728 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101661 1205506432 /nfs/dbraw/zinc/50/64/32/1205506432.db2.gz YYBZRGOWEVMAMP-MQYQWHSLSA-N 2 1 376.423 0.728 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101661 1205506434 /nfs/dbraw/zinc/50/64/34/1205506434.db2.gz YYBZRGOWEVMAMP-MQYQWHSLSA-N 2 1 376.423 0.728 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793909438 1205509180 /nfs/dbraw/zinc/50/91/80/1205509180.db2.gz GYEBFNJRECSVFJ-BRWVUGGUSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000793909438 1205509182 /nfs/dbraw/zinc/50/91/82/1205509182.db2.gz GYEBFNJRECSVFJ-BRWVUGGUSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000793909438 1205509183 /nfs/dbraw/zinc/50/91/83/1205509183.db2.gz GYEBFNJRECSVFJ-BRWVUGGUSA-N 2 1 380.533 0.593 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC1CCOCC1 ZINC001110101810 1205512147 /nfs/dbraw/zinc/51/21/47/1205512147.db2.gz GRAFTAOVKOUWBP-FPAYPSAMSA-N 2 1 381.517 0.360 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC1CCOCC1 ZINC001110101810 1205512148 /nfs/dbraw/zinc/51/21/48/1205512148.db2.gz GRAFTAOVKOUWBP-FPAYPSAMSA-N 2 1 381.517 0.360 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000805636054 1205541774 /nfs/dbraw/zinc/54/17/74/1205541774.db2.gz JOAXQZDJCRMBFK-FGTMMUONSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000805636054 1205541776 /nfs/dbraw/zinc/54/17/76/1205541776.db2.gz JOAXQZDJCRMBFK-FGTMMUONSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000805636054 1205541778 /nfs/dbraw/zinc/54/17/78/1205541778.db2.gz JOAXQZDJCRMBFK-FGTMMUONSA-N 2 1 394.560 0.983 20 0 GCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614897 1205555719 /nfs/dbraw/zinc/55/57/19/1205555719.db2.gz GPTQVQNJBHBZAU-UKBAYJJMSA-N 2 1 393.532 0.450 20 0 GCADMP COCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614897 1205555721 /nfs/dbraw/zinc/55/57/21/1205555721.db2.gz GPTQVQNJBHBZAU-UKBAYJJMSA-N 2 1 393.532 0.450 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2nc([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n[nH]2)CC[N@H+]1C ZINC001130783280 1205570329 /nfs/dbraw/zinc/57/03/29/1205570329.db2.gz VICGPRFXTYIPSM-LXTVHRRPSA-N 2 1 382.484 0.930 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n2)CC[N@@H+]1C ZINC001130783280 1205570331 /nfs/dbraw/zinc/57/03/31/1205570331.db2.gz VICGPRFXTYIPSM-LXTVHRRPSA-N 2 1 382.484 0.930 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCc2n[nH]c([C@H]3CC[C@@H](C[NH2+]CCCF)O3)n2)CC[N@H+]1C ZINC001130783280 1205570332 /nfs/dbraw/zinc/57/03/32/1205570332.db2.gz VICGPRFXTYIPSM-LXTVHRRPSA-N 2 1 382.484 0.930 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000807456707 1205581905 /nfs/dbraw/zinc/58/19/05/1205581905.db2.gz GHTGLKJTFKCIKC-UHFFFAOYSA-N 2 1 382.549 0.984 20 0 GCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015248 1205587647 /nfs/dbraw/zinc/58/76/47/1205587647.db2.gz SRSJVIPWBAPJPL-YFHUEUNASA-N 2 1 379.505 0.060 20 0 GCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015248 1205587649 /nfs/dbraw/zinc/58/76/49/1205587649.db2.gz SRSJVIPWBAPJPL-YFHUEUNASA-N 2 1 379.505 0.060 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@@H](C)[C@H]1C[NH2+]CCO1 ZINC001170563561 1205613557 /nfs/dbraw/zinc/61/35/57/1205613557.db2.gz MGGLHNLVAQICMS-YQQAZPJKSA-N 2 1 394.516 0.976 20 0 GCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001131522651 1205616983 /nfs/dbraw/zinc/61/69/83/1205616983.db2.gz RMGVHNBVXZCTEV-OWYHZJEWSA-N 2 1 383.533 0.728 20 0 GCADMP CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001131522651 1205616986 /nfs/dbraw/zinc/61/69/86/1205616986.db2.gz RMGVHNBVXZCTEV-OWYHZJEWSA-N 2 1 383.533 0.728 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCc1ccco1 ZINC001110103247 1205659338 /nfs/dbraw/zinc/65/93/38/1205659338.db2.gz LBXUSKNSAYNGGD-FPAYPSAMSA-N 2 1 377.485 0.974 20 0 GCADMP O=C(C[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCc1ccco1 ZINC001110103247 1205659341 /nfs/dbraw/zinc/65/93/41/1205659341.db2.gz LBXUSKNSAYNGGD-FPAYPSAMSA-N 2 1 377.485 0.974 20 0 GCADMP O=C(CNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NCC[NH+]1CCCCCC1 ZINC000814296861 1205689225 /nfs/dbraw/zinc/68/92/25/1205689225.db2.gz MLKJNZSVSCYHJT-DLBZAZTESA-N 2 1 381.521 0.141 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@@H]1C[NH2+]C[C@@H]1CO ZINC001170774673 1205697152 /nfs/dbraw/zinc/69/71/52/1205697152.db2.gz MMYRABWLWJHGRH-NUEKZKHPSA-N 2 1 380.489 0.179 20 0 GCADMP CCN1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC1=O ZINC001172042998 1205712446 /nfs/dbraw/zinc/71/24/46/1205712446.db2.gz ZRGSHQZMGIJPSZ-QGZVFWFLSA-N 2 1 380.533 0.500 20 0 GCADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110503 1205713127 /nfs/dbraw/zinc/71/31/27/1205713127.db2.gz NSRCIVDFZGKPGQ-SBOZNWLOSA-N 2 1 382.505 0.162 20 0 GCADMP COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172110503 1205713130 /nfs/dbraw/zinc/71/31/30/1205713130.db2.gz NSRCIVDFZGKPGQ-SBOZNWLOSA-N 2 1 382.505 0.162 20 0 GCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](N(Cc1cnc3n1CC[NH2+]CC3)S(C)(=O)=O)C2 ZINC001172115041 1205713277 /nfs/dbraw/zinc/71/32/77/1205713277.db2.gz FXWNVVWKYDDJQO-ZSHCYNCHSA-N 2 1 381.546 0.806 20 0 GCADMP COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612624 1205716373 /nfs/dbraw/zinc/71/63/73/1205716373.db2.gz COSAHIPPEQPJLT-BRSBDYLESA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612624 1205716374 /nfs/dbraw/zinc/71/63/74/1205716374.db2.gz COSAHIPPEQPJLT-BRSBDYLESA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@@H]1CCC[C@@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612624 1205716376 /nfs/dbraw/zinc/71/63/76/1205716376.db2.gz COSAHIPPEQPJLT-BRSBDYLESA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)N1CCC([N@@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001172738097 1205716899 /nfs/dbraw/zinc/71/68/99/1205716899.db2.gz RAGRZSYSYTWWIV-UHFFFAOYSA-N 2 1 379.461 0.555 20 0 GCADMP COC(=O)N1CCC([N@H+]2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)CC1 ZINC001172738097 1205716900 /nfs/dbraw/zinc/71/69/00/1205716900.db2.gz RAGRZSYSYTWWIV-UHFFFAOYSA-N 2 1 379.461 0.555 20 0 GCADMP COC(=O)N1CCC([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)CC1 ZINC001172737730 1205717019 /nfs/dbraw/zinc/71/70/19/1205717019.db2.gz MNFVOWCFIWABBU-UHFFFAOYSA-N 2 1 396.532 0.720 20 0 GCADMP COC(=O)N1CCC([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC1 ZINC001172737730 1205717021 /nfs/dbraw/zinc/71/70/21/1205717021.db2.gz MNFVOWCFIWABBU-UHFFFAOYSA-N 2 1 396.532 0.720 20 0 GCADMP CC[N@H+]1CC[C@H](N(C[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363192 1205719953 /nfs/dbraw/zinc/71/99/53/1205719953.db2.gz JOBNSQROQAIGFH-HHXXYDBFSA-N 2 1 379.480 0.911 20 0 GCADMP COC(=O)[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509067 1205722006 /nfs/dbraw/zinc/72/20/06/1205722006.db2.gz QFQKFIXVAYSQJT-ZWKOTPCHSA-N 2 1 377.485 0.737 20 0 GCADMP COC(=O)[C@H]1C[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CCN1C(=O)c1ccccc1 ZINC001173494613 1205722527 /nfs/dbraw/zinc/72/25/27/1205722527.db2.gz BFGGAOANFNNROE-JFIYKMOQSA-N 2 1 386.452 0.764 20 0 GCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[C@H](n3ncnn3)C1)CC2 ZINC001173749972 1205727176 /nfs/dbraw/zinc/72/71/76/1205727176.db2.gz DJAHNQOITLWWSY-ROUUACIJSA-N 2 1 385.516 0.981 20 0 GCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC001177093509 1205762283 /nfs/dbraw/zinc/76/22/83/1205762283.db2.gz FEMJWJKNUKXBJE-AWEZNQCLSA-N 2 1 395.508 0.909 20 0 GCADMP COCCC(=O)N1CCC([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC1 ZINC001178152119 1205783182 /nfs/dbraw/zinc/78/31/82/1205783182.db2.gz HCCIWJDVDDJKFW-UHFFFAOYSA-N 2 1 376.505 0.346 20 0 GCADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]21 ZINC001178949162 1205797575 /nfs/dbraw/zinc/79/75/75/1205797575.db2.gz RABXHDAXRJYDRP-AABGKKOBSA-N 2 1 388.560 0.830 20 0 GCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)CN3CC[NH+](C)CC3)CC[C@@H]21 ZINC001178949162 1205797577 /nfs/dbraw/zinc/79/75/77/1205797577.db2.gz RABXHDAXRJYDRP-AABGKKOBSA-N 2 1 388.560 0.830 20 0 GCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)O1 ZINC001178997523 1205799231 /nfs/dbraw/zinc/79/92/31/1205799231.db2.gz WMXJALJXCWEFOQ-SOAMZJECSA-N 2 1 377.485 0.728 20 0 GCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)O1 ZINC001178997523 1205799232 /nfs/dbraw/zinc/79/92/32/1205799232.db2.gz WMXJALJXCWEFOQ-SOAMZJECSA-N 2 1 377.485 0.728 20 0 GCADMP C[NH+](C)C1CN(C(=O)[C@H]2C[N@@H+](C)CC3(CCN(C(=O)OC(C)(C)C)CC3)O2)C1 ZINC001179150415 1205804126 /nfs/dbraw/zinc/80/41/26/1205804126.db2.gz LHESTNLQTGWHFH-MRXNPFEDSA-N 2 1 396.532 0.859 20 0 GCADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC001180757149 1205830866 /nfs/dbraw/zinc/83/08/66/1205830866.db2.gz CVUKNHBBLOFYFM-YDZRNGNQSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCO3)CC[C@@H]21 ZINC001180757149 1205830869 /nfs/dbraw/zinc/83/08/69/1205830869.db2.gz CVUKNHBBLOFYFM-YDZRNGNQSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCO3)CC[C@@H]21 ZINC001180757149 1205830870 /nfs/dbraw/zinc/83/08/70/1205830870.db2.gz CVUKNHBBLOFYFM-YDZRNGNQSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC[C@@H]21 ZINC001180757149 1205830872 /nfs/dbraw/zinc/83/08/72/1205830872.db2.gz CVUKNHBBLOFYFM-YDZRNGNQSA-N 2 1 375.517 0.914 20 0 GCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)C1 ZINC001181978349 1205852500 /nfs/dbraw/zinc/85/25/00/1205852500.db2.gz OOJQRGPCEDARIG-AWEZNQCLSA-N 2 1 377.489 0.581 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1 ZINC001181987230 1205852835 /nfs/dbraw/zinc/85/28/35/1205852835.db2.gz TZFMWMOZMKORDK-HXUWFJFHSA-N 2 1 380.533 0.405 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C3(C)CC[NH+](C)CC3)C2)C1 ZINC001181987230 1205852837 /nfs/dbraw/zinc/85/28/37/1205852837.db2.gz TZFMWMOZMKORDK-HXUWFJFHSA-N 2 1 380.533 0.405 20 0 GCADMP C[N@H+](CC(=O)NC1(CO)CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816739 1205900480 /nfs/dbraw/zinc/90/04/80/1205900480.db2.gz JZMNJOVUHLEPGJ-INIZCTEOSA-N 2 1 398.548 0.891 20 0 GCADMP C[N@@H+](CC(=O)NC1(CO)CC[NH+](C)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183816739 1205900481 /nfs/dbraw/zinc/90/04/81/1205900481.db2.gz JZMNJOVUHLEPGJ-INIZCTEOSA-N 2 1 398.548 0.891 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccco1 ZINC000774827945 1205916427 /nfs/dbraw/zinc/91/64/27/1205916427.db2.gz SLTGZMQNXUXDSX-SJORKVTESA-N 2 1 392.500 0.758 20 0 GCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001185250001 1205918957 /nfs/dbraw/zinc/91/89/57/1205918957.db2.gz BOILMKQECHXXCL-SIXWZSSISA-N 2 1 377.464 0.321 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001185250001 1205918958 /nfs/dbraw/zinc/91/89/58/1205918958.db2.gz BOILMKQECHXXCL-SIXWZSSISA-N 2 1 377.464 0.321 20 0 GCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[NH+]3CC[C@@H](O)C3)CC[C@@H]21 ZINC001186037091 1205933456 /nfs/dbraw/zinc/93/34/56/1205933456.db2.gz DXXIAQBFTWTZNG-HCXYKTFWSA-N 2 1 375.517 0.650 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](O)C3)CC[C@@H]21 ZINC001186037091 1205933458 /nfs/dbraw/zinc/93/34/58/1205933458.db2.gz DXXIAQBFTWTZNG-HCXYKTFWSA-N 2 1 375.517 0.650 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](O)C3)CC[C@@H]21 ZINC001186037091 1205933459 /nfs/dbraw/zinc/93/34/59/1205933459.db2.gz DXXIAQBFTWTZNG-HCXYKTFWSA-N 2 1 375.517 0.650 20 0 GCADMP CC(C)(C)OC(=O)N1CC[N@@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186047648 1205934052 /nfs/dbraw/zinc/93/40/52/1205934052.db2.gz ATPHQLRAEPVQNB-PMPSAXMXSA-N 2 1 382.505 0.110 20 0 GCADMP CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](CNC(=O)C[NH+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186047648 1205934054 /nfs/dbraw/zinc/93/40/54/1205934054.db2.gz ATPHQLRAEPVQNB-PMPSAXMXSA-N 2 1 382.505 0.110 20 0 GCADMP CC(C)(C)OC(=O)N1CC[NH+]2C[C@@H](CNC(=O)C[N@@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186047648 1205934056 /nfs/dbraw/zinc/93/40/56/1205934056.db2.gz ATPHQLRAEPVQNB-PMPSAXMXSA-N 2 1 382.505 0.110 20 0 GCADMP CC(C)(C)OC(=O)N1CC[NH+]2C[C@@H](CNC(=O)C[N@H+]3CC[C@H](O)C3)C[C@H]2C1 ZINC001186047648 1205934057 /nfs/dbraw/zinc/93/40/57/1205934057.db2.gz ATPHQLRAEPVQNB-PMPSAXMXSA-N 2 1 382.505 0.110 20 0 GCADMP Cc1cnc2c(N(CC[NH3+])C(=O)C[N@@H+]3CC[C@H](O)C3)nc3ccc(C)cc3n12 ZINC001186054967 1205934332 /nfs/dbraw/zinc/93/43/32/1205934332.db2.gz JWNMEMWDMYRHDQ-HNNXBMFYSA-N 2 1 382.468 0.858 20 0 GCADMP Cc1cnc2c(N(CC[NH3+])C(=O)C[N@H+]3CC[C@H](O)C3)nc3ccc(C)cc3n12 ZINC001186054967 1205934334 /nfs/dbraw/zinc/93/43/34/1205934334.db2.gz JWNMEMWDMYRHDQ-HNNXBMFYSA-N 2 1 382.468 0.858 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)N(C)CC(F)(F)F)C[C@H]32)CC[N@H+]1C ZINC001187958005 1205972063 /nfs/dbraw/zinc/97/20/63/1205972063.db2.gz DCRDIWBUJFMRRI-LXTVHRRPSA-N 2 1 390.450 0.880 20 0 GCADMP CC(C)CNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958311 1205972175 /nfs/dbraw/zinc/97/21/75/1205972175.db2.gz PNIOIVVWLSGGCD-YYIAUSFCSA-N 2 1 393.532 0.341 20 0 GCADMP CC(C)CNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958311 1205972177 /nfs/dbraw/zinc/97/21/77/1205972177.db2.gz PNIOIVVWLSGGCD-YYIAUSFCSA-N 2 1 393.532 0.341 20 0 GCADMP CC(C)CNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958311 1205972179 /nfs/dbraw/zinc/97/21/79/1205972179.db2.gz PNIOIVVWLSGGCD-YYIAUSFCSA-N 2 1 393.532 0.341 20 0 GCADMP CC(C)CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958311 1205972180 /nfs/dbraw/zinc/97/21/80/1205972180.db2.gz PNIOIVVWLSGGCD-YYIAUSFCSA-N 2 1 393.532 0.341 20 0 GCADMP CC(C)CNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958311 1205972181 /nfs/dbraw/zinc/97/21/81/1205972181.db2.gz PNIOIVVWLSGGCD-YYIAUSFCSA-N 2 1 393.532 0.341 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCOCCNC(C)=O)C[C@H]32)CC[N@H+]1C ZINC001187971384 1205972677 /nfs/dbraw/zinc/97/26/77/1205972677.db2.gz LFZMMAFAKKRHHI-INDMIFKZSA-N 2 1 380.533 0.402 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCOCCNC(C)=O)C[C@H]32)CC[NH+]1C ZINC001187971384 1205972679 /nfs/dbraw/zinc/97/26/79/1205972679.db2.gz LFZMMAFAKKRHHI-INDMIFKZSA-N 2 1 380.533 0.402 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCOCCNC(C)=O)C[C@H]32)CC[NH+]1C ZINC001187971384 1205972680 /nfs/dbraw/zinc/97/26/80/1205972680.db2.gz LFZMMAFAKKRHHI-INDMIFKZSA-N 2 1 380.533 0.402 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164682674 719704766 /nfs/dbraw/zinc/70/47/66/719704766.db2.gz GJASNSYHGMHIRN-UHFFFAOYSA-N 2 1 378.908 0.957 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737774 720739978 /nfs/dbraw/zinc/73/99/78/720739978.db2.gz CQNKYZCTCRIWHV-ZWKOTPCHSA-N 2 1 381.484 0.623 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]2C1 ZINC001164846340 720832673 /nfs/dbraw/zinc/83/26/73/720832673.db2.gz DOBPGNWRWSYZBH-CZUORRHYSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@@H]2C1 ZINC001164846339 720832845 /nfs/dbraw/zinc/83/28/45/720832845.db2.gz DOBPGNWRWSYZBH-CJNGLKHVSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3nc(Cl)nc4c3C[NH2+]CC4)CC[C@H]2C1 ZINC001164846341 720832954 /nfs/dbraw/zinc/83/29/54/720832954.db2.gz DOBPGNWRWSYZBH-XJKSGUPXSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164848704 720840733 /nfs/dbraw/zinc/84/07/33/720840733.db2.gz AWOCVEMXRKKPIE-IAGOWNOFSA-N 2 1 376.505 0.060 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@@H]2C1 ZINC001164855990 720858829 /nfs/dbraw/zinc/85/88/29/720858829.db2.gz NGLJLJLKXYCJOB-IAGOWNOFSA-N 2 1 376.505 0.060 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164857383 720868503 /nfs/dbraw/zinc/86/85/03/720868503.db2.gz QRPMCTAAMLNSNU-IEBWSBKVSA-N 2 1 375.517 0.665 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762664 721079610 /nfs/dbraw/zinc/07/96/10/721079610.db2.gz FFHBNUDWHSDLMH-MOPGFXCFSA-N 2 1 396.543 0.920 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)C[C@H]3C2)cn1 ZINC001164773648 721143767 /nfs/dbraw/zinc/14/37/67/721143767.db2.gz YNLMYXFQKCKTIV-QZTJIDSGSA-N 2 1 382.516 0.578 20 0 GCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@H]3C2)cn1 ZINC001164762510 721222884 /nfs/dbraw/zinc/22/28/84/721222884.db2.gz CNBVPRSTNZURKX-RTBURBONSA-N 2 1 396.543 0.920 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@H]3C2)cn1 ZINC001164762510 721222891 /nfs/dbraw/zinc/22/28/91/721222891.db2.gz CNBVPRSTNZURKX-RTBURBONSA-N 2 1 396.543 0.920 20 0 GCADMP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164762499 721223040 /nfs/dbraw/zinc/22/30/40/721223040.db2.gz CNBVPRSTNZURKX-MOPGFXCFSA-N 2 1 396.543 0.920 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@@H]3C2)cn1 ZINC001164762499 721223043 /nfs/dbraw/zinc/22/30/43/721223043.db2.gz CNBVPRSTNZURKX-MOPGFXCFSA-N 2 1 396.543 0.920 20 0 GCADMP Cc1cnc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(C[NH3+])c1 ZINC001164875668 721280082 /nfs/dbraw/zinc/28/00/82/721280082.db2.gz ZEYOIGPOVJQIRR-UHFFFAOYSA-N 2 1 375.517 0.856 20 0 GCADMP C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884296 721453341 /nfs/dbraw/zinc/45/33/41/721453341.db2.gz AOZFGKDUFGOFFL-NQIIRXRSSA-N 2 1 386.544 0.929 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264426 945483296 /nfs/dbraw/zinc/48/32/96/945483296.db2.gz OLTHDRTWXISZRA-DOTOQJQBSA-N 2 1 385.472 0.278 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264426 945483300 /nfs/dbraw/zinc/48/33/00/945483300.db2.gz OLTHDRTWXISZRA-DOTOQJQBSA-N 2 1 385.472 0.278 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264724 945491743 /nfs/dbraw/zinc/49/17/43/945491743.db2.gz VCUGJNFLBXBTLP-IAGOWNOFSA-N 2 1 385.472 0.135 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1noc(C)c1-c1nn[nH]n1 ZINC000825450629 947193321 /nfs/dbraw/zinc/19/33/21/947193321.db2.gz BSHLXEWMYLXNAJ-CQSZACIVSA-N 2 1 390.492 0.580 20 0 GCADMP CC(C)(C(=O)N1C[C@@H]2C[C@H]1CN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+]1CCCC1 ZINC001573765954 948931205 /nfs/dbraw/zinc/93/12/05/948931205.db2.gz RITJIDPEIHAZGJ-KBPBESRZSA-N 2 1 382.472 0.926 20 0 GCADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265563 949452136 /nfs/dbraw/zinc/45/21/36/949452136.db2.gz USWCLEBOXGDOGU-RYUDHWBXSA-N 2 1 375.502 0.816 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574955774 949570509 /nfs/dbraw/zinc/57/05/09/949570509.db2.gz DYYCFABMLCBKGE-YRGRVCCFSA-N 2 1 375.452 0.940 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574957497 949620190 /nfs/dbraw/zinc/62/01/90/949620190.db2.gz ZHIIKSFYPFLUPP-LALPHHSUSA-N 2 1 375.452 0.940 20 0 GCADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573855530 950379492 /nfs/dbraw/zinc/37/94/92/950379492.db2.gz XJGGICGFAVXMND-GOSISDBHSA-N 2 1 390.467 0.814 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C(C)(C)C2)C1 ZINC001576197400 950392408 /nfs/dbraw/zinc/39/24/08/950392408.db2.gz MZUOBHHWPVHILT-XJKSGUPXSA-N 2 1 384.488 0.674 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001576205403 950511971 /nfs/dbraw/zinc/51/19/71/950511971.db2.gz INIBTVZLCRHFGM-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576208024 950603967 /nfs/dbraw/zinc/60/39/67/950603967.db2.gz LETSBZNJEJUSSQ-SOUVJXGZSA-N 2 1 384.488 0.722 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208357 950610089 /nfs/dbraw/zinc/61/00/89/950610089.db2.gz OHYQMNWNTQUHDC-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574774544 951008673 /nfs/dbraw/zinc/00/86/73/951008673.db2.gz CZIDFOMTJJLJDS-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574774544 951008689 /nfs/dbraw/zinc/00/86/89/951008689.db2.gz CZIDFOMTJJLJDS-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574774544 951008711 /nfs/dbraw/zinc/00/87/11/951008711.db2.gz CZIDFOMTJJLJDS-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575080712 951715074 /nfs/dbraw/zinc/71/50/74/951715074.db2.gz NDCZKKFJZIAWRB-QWHCGFSZSA-N 2 1 375.452 0.894 20 0 GCADMP Cc1c[nH+]cn1CC(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001571189335 952928553 /nfs/dbraw/zinc/92/85/53/952928553.db2.gz VELKMMOWNSHSMA-CQSZACIVSA-N 2 1 381.444 0.458 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001571190795 952944843 /nfs/dbraw/zinc/94/48/43/952944843.db2.gz MDGONZMPGOBHCG-RHSMWYFYSA-N 2 1 381.484 0.899 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191659 952946803 /nfs/dbraw/zinc/94/68/03/952946803.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 2 1 381.484 0.853 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191659 952946808 /nfs/dbraw/zinc/94/68/08/952946808.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 2 1 381.484 0.853 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](Cc2ccc(-c4nn[nH]n4)cc2)C3)C1 ZINC001571191659 952946812 /nfs/dbraw/zinc/94/68/12/952946812.db2.gz QAISUQVHYVAQKH-QGZVFWFLSA-N 2 1 381.484 0.853 20 0 GCADMP O=C(N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)C12CCC[NH+]1CCC2 ZINC001571216899 953104649 /nfs/dbraw/zinc/10/46/49/953104649.db2.gz BTTPZVOEUZUKQA-CQSZACIVSA-N 2 1 382.472 0.975 20 0 GCADMP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217653 953110026 /nfs/dbraw/zinc/11/00/26/953110026.db2.gz GXTDNAMKTFWFOV-PBHICJAKSA-N 2 1 382.472 0.927 20 0 GCADMP O=C([C@@H]1CCC[C@@H]2CCC[N@H+]21)N1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571217653 953110033 /nfs/dbraw/zinc/11/00/33/953110033.db2.gz GXTDNAMKTFWFOV-PBHICJAKSA-N 2 1 382.472 0.927 20 0 GCADMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001571242051 953252378 /nfs/dbraw/zinc/25/23/78/953252378.db2.gz USZSZCDYMGIKDH-GASCZTMLSA-N 2 1 384.419 0.948 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571251536 953319140 /nfs/dbraw/zinc/31/91/40/953319140.db2.gz ZLUBNABETQSSRP-AWEZNQCLSA-N 2 1 384.488 0.676 20 0 GCADMP Cc1cc(N[C@H]2CCCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252242 953325137 /nfs/dbraw/zinc/32/51/37/953325137.db2.gz IPHUUGAMYXSIGN-GJZGRUSLSA-N 2 1 384.488 0.737 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571252524 953329326 /nfs/dbraw/zinc/32/93/26/953329326.db2.gz OLWJGPQTTUPJKB-QLFBSQMISA-N 2 1 384.488 0.674 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261810412 530130629 /nfs/dbraw/zinc/13/06/29/530130629.db2.gz RUMJRPHQHVBYPY-KRWDZBQOSA-N 2 1 397.317 0.903 20 0 GCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CCN2C1=O ZINC000594880153 530442809 /nfs/dbraw/zinc/44/28/09/530442809.db2.gz TZGIYMVNEBPNCW-IONNQARKSA-N 2 1 385.287 0.498 20 0 GCADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638553301 530459661 /nfs/dbraw/zinc/45/96/61/530459661.db2.gz SAXUSSMBVNFPRY-UHFFFAOYSA-N 2 1 381.278 0.746 20 0 GCADMP C[C@H]1C[N@@H+](C2CCOCC2)CCN1S(=O)(=O)CCCN1CCOCC1 ZINC000365971520 530515108 /nfs/dbraw/zinc/51/51/08/530515108.db2.gz TWLXHEZFNWJJHN-INIZCTEOSA-N 2 1 375.535 0.224 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1S(=O)(=O)CCCN1CCOCC1 ZINC000365971520 530515109 /nfs/dbraw/zinc/51/51/09/530515109.db2.gz TWLXHEZFNWJJHN-INIZCTEOSA-N 2 1 375.535 0.224 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC(OC)CC1 ZINC000656892111 530857480 /nfs/dbraw/zinc/85/74/80/530857480.db2.gz WZSUBROTRGOSGC-MRXNPFEDSA-N 2 1 376.567 0.690 20 0 GCADMP C[NH+](C)CCCS(=O)(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000632079360 530958116 /nfs/dbraw/zinc/95/81/16/530958116.db2.gz QDRQMSNXIMRVJC-UHFFFAOYSA-N 2 1 376.567 0.484 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000521465009 530939644 /nfs/dbraw/zinc/93/96/44/530939644.db2.gz KUEIMUKMJBIWEC-CYBMUJFWSA-N 2 1 388.559 0.884 20 0 GCADMP COCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000192767491 530972973 /nfs/dbraw/zinc/97/29/73/530972973.db2.gz NJARSYAAOLWXIY-GOSISDBHSA-N 2 1 375.579 0.928 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662406321 531020983 /nfs/dbraw/zinc/02/09/83/531020983.db2.gz XFSCQJZCFNYTEI-RISCZKNCSA-N 2 1 383.290 0.762 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662406320 531021216 /nfs/dbraw/zinc/02/12/16/531021216.db2.gz XFSCQJZCFNYTEI-FZMZJTMJSA-N 2 1 383.290 0.762 20 0 GCADMP C[C@H]([NH3+])CNC(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000642381269 531065427 /nfs/dbraw/zinc/06/54/27/531065427.db2.gz VXHVHNJNIYKKIB-LBPRGKRZSA-N 2 1 397.317 0.993 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)ccn1 ZINC000359898967 206269006 /nfs/dbraw/zinc/26/90/06/206269006.db2.gz NOCYPYGGODRZEU-QGZVFWFLSA-N 2 1 389.500 0.576 20 0 GCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736859272 599080197 /nfs/dbraw/zinc/08/01/97/599080197.db2.gz YIAWIQTVOIHSTF-INIZCTEOSA-N 2 1 398.515 0.907 20 0 GCADMP COCCS(=O)(=O)CCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000761123461 640587655 /nfs/dbraw/zinc/58/76/55/640587655.db2.gz ODRFCUSHRJLBFB-UHFFFAOYSA-N 2 1 375.579 0.928 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849359 641659227 /nfs/dbraw/zinc/65/92/27/641659227.db2.gz PCCHOKCATMQHMI-LFVRLGFBSA-N 2 1 383.584 0.154 20 0 GCADMP Cn1nnc(Br)c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000811891954 641763481 /nfs/dbraw/zinc/76/34/81/641763481.db2.gz YWNGYIHMEWVBTK-UHFFFAOYSA-N 2 1 380.250 0.977 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CCSC1 ZINC000929464935 641959366 /nfs/dbraw/zinc/95/93/66/641959366.db2.gz RAUBUBBBYZDAKU-CPUCHLNUSA-N 2 1 386.587 0.236 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCSC[C@H]23)CCSC1 ZINC000929464935 641959370 /nfs/dbraw/zinc/95/93/70/641959370.db2.gz RAUBUBBBYZDAKU-CPUCHLNUSA-N 2 1 386.587 0.236 20 0 GCADMP CS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC000800467381 642082580 /nfs/dbraw/zinc/08/25/80/642082580.db2.gz XVKWJYKNNWLPBM-HZPDHXFCSA-N 2 1 380.576 0.785 20 0 GCADMP C[C@H](C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CC[NH+](C)CC1 ZINC000663020411 1192186904 /nfs/dbraw/zinc/18/69/04/1192186904.db2.gz WZGRHGRMLJIQJG-SJORKVTESA-N 2 1 389.548 0.161 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351170 1192202236 /nfs/dbraw/zinc/20/22/36/1192202236.db2.gz JCXSIXDLEHFNNC-QOKNQOGYSA-N 2 1 394.541 0.442 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351170 1192202237 /nfs/dbraw/zinc/20/22/37/1192202237.db2.gz JCXSIXDLEHFNNC-QOKNQOGYSA-N 2 1 394.541 0.442 20 0 GCADMP C[C@H]1CCC[N@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652353490 1192202398 /nfs/dbraw/zinc/20/23/98/1192202398.db2.gz LRBVBDJDLJKJDZ-YOEHRIQHSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H]1CCC[N@@H+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000652353490 1192202401 /nfs/dbraw/zinc/20/24/01/1192202401.db2.gz LRBVBDJDLJKJDZ-YOEHRIQHSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354151 1192202967 /nfs/dbraw/zinc/20/29/67/1192202967.db2.gz OGGJUDAFDCRRBQ-CRAIPNDOSA-N 2 1 396.557 0.832 20 0 GCADMP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000652433142 1192221662 /nfs/dbraw/zinc/22/16/62/1192221662.db2.gz TZWWPTSKCMRNAD-VQIMIIECSA-N 2 1 394.560 0.480 20 0 GCADMP C[C@H](CO)C1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000652433142 1192221665 /nfs/dbraw/zinc/22/16/65/1192221665.db2.gz TZWWPTSKCMRNAD-VQIMIIECSA-N 2 1 394.560 0.480 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652460506 1192228353 /nfs/dbraw/zinc/22/83/53/1192228353.db2.gz XZQIRBPSCOCUNI-QGZVFWFLSA-N 2 1 380.533 0.642 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000978971928 1192243729 /nfs/dbraw/zinc/24/37/29/1192243729.db2.gz VAPIHAOEGGXOTB-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000978971928 1192243731 /nfs/dbraw/zinc/24/37/31/1192243731.db2.gz VAPIHAOEGGXOTB-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978971928 1192243735 /nfs/dbraw/zinc/24/37/35/1192243735.db2.gz VAPIHAOEGGXOTB-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000978971928 1192243737 /nfs/dbraw/zinc/24/37/37/1192243737.db2.gz VAPIHAOEGGXOTB-GVLSGGHMSA-N 2 1 380.533 0.447 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)O1 ZINC000978964485 1192243750 /nfs/dbraw/zinc/24/37/50/1192243750.db2.gz DQIRTKIDZQOKSY-CQSHOCRRSA-N 2 1 389.500 0.254 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cncn3C)C2)O1 ZINC000978964485 1192243753 /nfs/dbraw/zinc/24/37/53/1192243753.db2.gz DQIRTKIDZQOKSY-CQSHOCRRSA-N 2 1 389.500 0.254 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676512 1192256754 /nfs/dbraw/zinc/25/67/54/1192256754.db2.gz JHRKSUQHXDATOC-OALUTQOASA-N 2 1 388.512 0.522 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676670 1192257566 /nfs/dbraw/zinc/25/75/66/1192257566.db2.gz JHRKSUQHXDATOC-RTBURBONSA-N 2 1 388.512 0.522 20 0 GCADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000652628209 1192258895 /nfs/dbraw/zinc/25/88/95/1192258895.db2.gz SEPPCBMLKZNQNI-ZMSDIMECSA-N 2 1 398.467 0.951 20 0 GCADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[N@H+](C)CCN3C)C2)cc1 ZINC000636702840 1192272340 /nfs/dbraw/zinc/27/23/40/1192272340.db2.gz ZUBPGDSTGAIDTN-OALUTQOASA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702840 1192272343 /nfs/dbraw/zinc/27/23/43/1192272343.db2.gz ZUBPGDSTGAIDTN-OALUTQOASA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702840 1192272346 /nfs/dbraw/zinc/27/23/46/1192272346.db2.gz ZUBPGDSTGAIDTN-OALUTQOASA-N 2 1 387.528 0.048 20 0 GCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000662263537 1192273047 /nfs/dbraw/zinc/27/30/47/1192273047.db2.gz CCIUKFJRAGEGCG-FUHWJXTLSA-N 2 1 394.541 0.675 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@@H](C)O1 ZINC000662336582 1192285430 /nfs/dbraw/zinc/28/54/30/1192285430.db2.gz ZYWSCEFMBABYOY-ZACQAIPSSA-N 2 1 390.532 0.635 20 0 GCADMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C[C@@H](C)O1 ZINC000662336582 1192285431 /nfs/dbraw/zinc/28/54/31/1192285431.db2.gz ZYWSCEFMBABYOY-ZACQAIPSSA-N 2 1 390.532 0.635 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)CCO1 ZINC000511981612 1192331642 /nfs/dbraw/zinc/33/16/42/1192331642.db2.gz ITFBMEQQPLNYGF-LRYGQEGESA-N 2 1 392.544 0.831 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000663451226 1192343072 /nfs/dbraw/zinc/34/30/72/1192343072.db2.gz APPVWUFGZWUFHC-GOSISDBHSA-N 2 1 375.517 0.922 20 0 GCADMP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085158 1192381928 /nfs/dbraw/zinc/38/19/28/1192381928.db2.gz ALXJJPGSJURECX-ROUUACIJSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)NC[C@H]1CSCC[NH+]1Cc1ccccc1 ZINC000637085158 1192381932 /nfs/dbraw/zinc/38/19/32/1192381932.db2.gz ALXJJPGSJURECX-ROUUACIJSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000637085158 1192381936 /nfs/dbraw/zinc/38/19/36/1192381936.db2.gz ALXJJPGSJURECX-ROUUACIJSA-N 2 1 378.542 0.970 20 0 GCADMP O=C(NCC[NH+]1CC[C@H](O)C1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000637085158 1192381938 /nfs/dbraw/zinc/38/19/38/1192381938.db2.gz ALXJJPGSJURECX-ROUUACIJSA-N 2 1 378.542 0.970 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041825627 1192388214 /nfs/dbraw/zinc/38/82/14/1192388214.db2.gz DDJITXGLGHLUQN-UHFFFAOYSA-N 2 1 375.473 0.013 20 0 GCADMP CC(C)[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000663562303 1192390794 /nfs/dbraw/zinc/39/07/94/1192390794.db2.gz YULPGQPDXAYSCE-RBUKOAKNSA-N 2 1 381.565 0.811 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@H](C)C3)C2)CC1 ZINC000585716554 1192396108 /nfs/dbraw/zinc/39/61/08/1192396108.db2.gz IBTJTQLIHSMFCR-OALUTQOASA-N 2 1 393.576 0.461 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)CC1 ZINC000585725333 1192398468 /nfs/dbraw/zinc/39/84/68/1192398468.db2.gz MSTFKHSQVGTDCT-CEXWTWQISA-N 2 1 391.560 0.356 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663585210 1192404238 /nfs/dbraw/zinc/40/42/38/1192404238.db2.gz DPAUMNRWJXMVJG-LJQANCHMSA-N 2 1 375.473 0.956 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000663624227 1192424508 /nfs/dbraw/zinc/42/45/08/1192424508.db2.gz MLNXXHCVIGNYRL-UHFFFAOYSA-N 2 1 375.517 0.706 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H](c2ccccc2)C1 ZINC000663646351 1192444668 /nfs/dbraw/zinc/44/46/68/1192444668.db2.gz LGOZTWKFLRBVKN-AABGKKOBSA-N 2 1 389.544 0.682 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1O ZINC000663646351 1192444670 /nfs/dbraw/zinc/44/46/70/1192444670.db2.gz LGOZTWKFLRBVKN-AABGKKOBSA-N 2 1 389.544 0.682 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)C[C@@H]1O ZINC000663646351 1192444672 /nfs/dbraw/zinc/44/46/72/1192444672.db2.gz LGOZTWKFLRBVKN-AABGKKOBSA-N 2 1 389.544 0.682 20 0 GCADMP C[C@@H](NC(=O)COCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)C1=CC[NH+](C)CC1 ZINC000512136148 1192469064 /nfs/dbraw/zinc/46/90/64/1192469064.db2.gz BYQZKZZEFLMCOG-HZPDHXFCSA-N 2 1 378.517 0.536 20 0 GCADMP CN(C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000637375549 1192519162 /nfs/dbraw/zinc/51/91/62/1192519162.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 2 1 394.564 0.136 20 0 GCADMP CN(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000637375549 1192519167 /nfs/dbraw/zinc/51/91/67/1192519167.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 2 1 394.564 0.136 20 0 GCADMP CN(C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000637375549 1192519175 /nfs/dbraw/zinc/51/91/75/1192519175.db2.gz MSMQNINXGTZTLH-ROUUACIJSA-N 3 1 394.564 0.136 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000509735510 1192530839 /nfs/dbraw/zinc/53/08/39/1192530839.db2.gz GDMMVFVYGFKGQB-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000509735510 1192530841 /nfs/dbraw/zinc/53/08/41/1192530841.db2.gz GDMMVFVYGFKGQB-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC[NH+](C)CCNC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000509735510 1192530845 /nfs/dbraw/zinc/53/08/45/1192530845.db2.gz GDMMVFVYGFKGQB-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000663779742 1192576726 /nfs/dbraw/zinc/57/67/26/1192576726.db2.gz AQHQBLDRXIIHFF-UHFFFAOYSA-N 2 1 381.546 0.768 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000663779742 1192576730 /nfs/dbraw/zinc/57/67/30/1192576730.db2.gz AQHQBLDRXIIHFF-UHFFFAOYSA-N 2 1 381.546 0.768 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000512343255 1192616620 /nfs/dbraw/zinc/61/66/20/1192616620.db2.gz ONXISJRIOPSBMH-CQSZACIVSA-N 2 1 385.534 0.161 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418754828 1192639869 /nfs/dbraw/zinc/63/98/69/1192639869.db2.gz FGQYRJSPQGKVJH-GBESFXJTSA-N 2 1 376.501 0.547 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1)Cc1ccccc1 ZINC000418794155 1192645939 /nfs/dbraw/zinc/64/59/39/1192645939.db2.gz QYAIIWRUZJUMII-HXUWFJFHSA-N 2 1 389.544 0.824 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000418827315 1192657306 /nfs/dbraw/zinc/65/73/06/1192657306.db2.gz DNPWHBJJYKSCKE-RRFJBIMHSA-N 2 1 378.473 0.762 20 0 GCADMP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822142 1192658368 /nfs/dbraw/zinc/65/83/68/1192658368.db2.gz AIOQHABCUWYECU-SJORKVTESA-N 2 1 380.533 0.771 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418829404 1192658812 /nfs/dbraw/zinc/65/88/12/1192658812.db2.gz ITMPZRLNOPFGAH-KZNAEPCWSA-N 2 1 392.544 0.642 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@H]1C[NH3+] ZINC000418830752 1192658844 /nfs/dbraw/zinc/65/88/44/1192658844.db2.gz JZGVWEZLXDCFKG-SJORKVTESA-N 2 1 380.533 0.724 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCCC1 ZINC000418831233 1192658865 /nfs/dbraw/zinc/65/88/65/1192658865.db2.gz KOXMOEVLPKSLFW-UHFFFAOYSA-N 2 1 380.533 0.916 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418832383 1192660236 /nfs/dbraw/zinc/66/02/36/1192660236.db2.gz HDMLFDWCUOIOTF-UXLLHSPISA-N 2 1 376.501 0.918 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418834616 1192660460 /nfs/dbraw/zinc/66/04/60/1192660460.db2.gz OWQPKLMSJWTPCG-IAGOWNOFSA-N 2 1 380.533 0.866 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418835462 1192661483 /nfs/dbraw/zinc/66/14/83/1192661483.db2.gz PPEBMYTXPZQCOE-DLBZAZTESA-N 2 1 380.533 0.724 20 0 GCADMP C[C@@]1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC[NH2+]C1 ZINC000418840533 1192663594 /nfs/dbraw/zinc/66/35/94/1192663594.db2.gz XXNOBQWKROEFOV-LJQANCHMSA-N 2 1 380.533 0.644 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])[NH+](C)C ZINC000418853965 1192666953 /nfs/dbraw/zinc/66/69/53/1192666953.db2.gz STHHPTLQXMXIFO-ZOBUZTSGSA-N 2 1 392.500 0.379 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418856959 1192668836 /nfs/dbraw/zinc/66/88/36/1192668836.db2.gz XYJJCLVSMONQDE-RDJZCZTQSA-N 2 1 376.501 0.920 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000418856575 1192669005 /nfs/dbraw/zinc/66/90/05/1192669005.db2.gz PNJLHIPJYMIYMP-OAHLLOKOSA-N 2 1 393.557 0.902 20 0 GCADMP [NH3+]CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418865361 1192669416 /nfs/dbraw/zinc/66/94/16/1192669416.db2.gz RPGTZTVGYYASIZ-GOSISDBHSA-N 2 1 388.512 0.734 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)cs1 ZINC000418859169 1192670160 /nfs/dbraw/zinc/67/01/60/1192670160.db2.gz XLGPJMJYCBRABS-HNNXBMFYSA-N 2 1 393.557 0.983 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CCCO1 ZINC000418879410 1192677824 /nfs/dbraw/zinc/67/78/24/1192677824.db2.gz NIFRGLRJXRGYEG-GOSISDBHSA-N 2 1 390.528 0.981 20 0 GCADMP C[C@]1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000418880477 1192677996 /nfs/dbraw/zinc/67/79/96/1192677996.db2.gz PJSAEZIAISAONB-NQIIRXRSSA-N 2 1 388.512 0.375 20 0 GCADMP C[C@@]1(CNC(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCC[NH2+]C1 ZINC000418880479 1192678244 /nfs/dbraw/zinc/67/82/44/1192678244.db2.gz PJSAEZIAISAONB-WIYYLYMNSA-N 2 1 388.512 0.375 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CCCO1 ZINC000418883608 1192679168 /nfs/dbraw/zinc/67/91/68/1192679168.db2.gz VGZZCEPLNQWPLB-FUHWJXTLSA-N 2 1 380.533 0.594 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418875657 1192675379 /nfs/dbraw/zinc/67/53/79/1192675379.db2.gz DRXGNLNWNHZEHW-ZYSHUDEJSA-N 2 1 388.512 0.503 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418876865 1192675927 /nfs/dbraw/zinc/67/59/27/1192675927.db2.gz HCZHOLILQUNMAS-QRVBRYPASA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)CCCO1 ZINC000418876864 1192676278 /nfs/dbraw/zinc/67/62/78/1192676278.db2.gz HCZHOLILQUNMAS-GUDVDZBRSA-N 2 1 394.560 0.984 20 0 GCADMP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000418944088 1192696803 /nfs/dbraw/zinc/69/68/03/1192696803.db2.gz ZUJAKNLNDXLFAF-QGZVFWFLSA-N 2 1 395.548 0.038 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000418944039 1192696847 /nfs/dbraw/zinc/69/68/47/1192696847.db2.gz JKWUPQQBJRNPOI-QGZVFWFLSA-N 2 1 390.528 0.980 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943460 1192697433 /nfs/dbraw/zinc/69/74/33/1192697433.db2.gz BXEHMJHKYPQLBH-INIZCTEOSA-N 2 1 392.500 0.462 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943460 1192697438 /nfs/dbraw/zinc/69/74/38/1192697438.db2.gz BXEHMJHKYPQLBH-INIZCTEOSA-N 2 1 392.500 0.462 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958569 1192700488 /nfs/dbraw/zinc/70/04/88/1192700488.db2.gz GPNZSHZQGBRHAL-ZFWWWQNUSA-N 2 1 378.473 0.105 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418962610 1192702966 /nfs/dbraw/zinc/70/29/66/1192702966.db2.gz KVFNDDXERNSEHS-OAHLLOKOSA-N 2 1 378.473 0.120 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418962610 1192702970 /nfs/dbraw/zinc/70/29/70/1192702970.db2.gz KVFNDDXERNSEHS-OAHLLOKOSA-N 2 1 378.473 0.120 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966284 1192704460 /nfs/dbraw/zinc/70/44/60/1192704460.db2.gz QIFDQCOSMDVCCL-GDBMZVCRSA-N 2 1 390.484 0.202 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000418966284 1192704464 /nfs/dbraw/zinc/70/44/64/1192704464.db2.gz QIFDQCOSMDVCCL-GDBMZVCRSA-N 2 1 390.484 0.202 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958569 1192700486 /nfs/dbraw/zinc/70/04/86/1192700486.db2.gz GPNZSHZQGBRHAL-ZFWWWQNUSA-N 2 1 378.473 0.105 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034610 1192733668 /nfs/dbraw/zinc/73/36/68/1192733668.db2.gz FXBJCNJGNBVPNU-MOPGFXCFSA-N 2 1 383.496 0.318 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@H](C)C1 ZINC000419038203 1192735738 /nfs/dbraw/zinc/73/57/38/1192735738.db2.gz JIAJEAQUGQTHAR-NJAFHUGGSA-N 2 1 382.549 0.873 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000419038207 1192735859 /nfs/dbraw/zinc/73/58/59/1192735859.db2.gz JIAJEAQUGQTHAR-SZMVWBNQSA-N 2 1 382.549 0.873 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419041561 1192740163 /nfs/dbraw/zinc/74/01/63/1192740163.db2.gz NPGXSWYAYFIQAW-DOTOQJQBSA-N 2 1 388.516 0.812 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)nc(C)[nH+]1 ZINC000419045582 1192742177 /nfs/dbraw/zinc/74/21/77/1192742177.db2.gz WOVQPRNEVCOKMY-CJNGLKHVSA-N 2 1 388.516 0.622 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419051134 1192748824 /nfs/dbraw/zinc/74/88/24/1192748824.db2.gz AVMJMPAYKVTESR-CEXWTWQISA-N 2 1 388.512 0.508 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000419059054 1192755499 /nfs/dbraw/zinc/75/54/99/1192755499.db2.gz CPWMILADTZSTMZ-OWCLPIDISA-N 2 1 382.549 0.885 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000419059054 1192755502 /nfs/dbraw/zinc/75/55/02/1192755502.db2.gz CPWMILADTZSTMZ-OWCLPIDISA-N 2 1 382.549 0.885 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000419059052 1192755826 /nfs/dbraw/zinc/75/58/26/1192755826.db2.gz CPWMILADTZSTMZ-BZUAXINKSA-N 2 1 382.549 0.885 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c2)CCO1 ZINC000419066493 1192759429 /nfs/dbraw/zinc/75/94/29/1192759429.db2.gz FDDSYNBQSICVCT-INIZCTEOSA-N 2 1 390.528 0.967 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c2)CCO1 ZINC000419066493 1192759432 /nfs/dbraw/zinc/75/94/32/1192759432.db2.gz FDDSYNBQSICVCT-INIZCTEOSA-N 2 1 390.528 0.967 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419065928 1192760443 /nfs/dbraw/zinc/76/04/43/1192760443.db2.gz ZZYWFIYZQNGLKB-KBAYOESNSA-N 2 1 376.501 0.493 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419064872 1192761269 /nfs/dbraw/zinc/76/12/69/1192761269.db2.gz CQLQJBIUPHYTMN-HOTGVXAUSA-N 2 1 376.501 0.495 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419064872 1192761274 /nfs/dbraw/zinc/76/12/74/1192761274.db2.gz CQLQJBIUPHYTMN-HOTGVXAUSA-N 2 1 376.501 0.495 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000419065078 1192761345 /nfs/dbraw/zinc/76/13/45/1192761345.db2.gz YWKJKVFKZKWEFS-GUDVDZBRSA-N 2 1 388.512 0.493 20 0 GCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419067857 1192763962 /nfs/dbraw/zinc/76/39/62/1192763962.db2.gz GYXLEOLHCVWEGY-CQSZACIVSA-N 2 1 381.908 0.432 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419070418 1192766850 /nfs/dbraw/zinc/76/68/50/1192766850.db2.gz JZVJSEKLSDRLFJ-FRQCXROJSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419070418 1192766853 /nfs/dbraw/zinc/76/68/53/1192766853.db2.gz JZVJSEKLSDRLFJ-FRQCXROJSA-N 2 1 388.512 0.719 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000410626365 1192770758 /nfs/dbraw/zinc/77/07/58/1192770758.db2.gz ZEAHWXIQFKXEFG-YQVWRLOYSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000410626365 1192770760 /nfs/dbraw/zinc/77/07/60/1192770760.db2.gz ZEAHWXIQFKXEFG-YQVWRLOYSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000410626365 1192770761 /nfs/dbraw/zinc/77/07/61/1192770761.db2.gz ZEAHWXIQFKXEFG-YQVWRLOYSA-N 2 1 392.544 0.783 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419074226 1192771609 /nfs/dbraw/zinc/77/16/09/1192771609.db2.gz NJQJPJQWAUOHJX-CRAIPNDOSA-N 2 1 376.501 0.623 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419074226 1192771612 /nfs/dbraw/zinc/77/16/12/1192771612.db2.gz NJQJPJQWAUOHJX-CRAIPNDOSA-N 2 1 376.501 0.623 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419079304 1192775899 /nfs/dbraw/zinc/77/58/99/1192775899.db2.gz UPKCSDOZGWOUSI-QFBILLFUSA-N 2 1 388.512 0.591 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C1 ZINC000419079304 1192775903 /nfs/dbraw/zinc/77/59/03/1192775903.db2.gz UPKCSDOZGWOUSI-QFBILLFUSA-N 2 1 388.512 0.591 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419079279 1192776038 /nfs/dbraw/zinc/77/60/38/1192776038.db2.gz UMKIYGMJNSZNBV-LPHOPBHVSA-N 2 1 388.512 0.734 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419079279 1192776042 /nfs/dbraw/zinc/77/60/42/1192776042.db2.gz UMKIYGMJNSZNBV-LPHOPBHVSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079082 1192776397 /nfs/dbraw/zinc/77/63/97/1192776397.db2.gz UJGSJRJBHVDMLR-IIBYNOLFSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079082 1192776399 /nfs/dbraw/zinc/77/63/99/1192776399.db2.gz UJGSJRJBHVDMLR-IIBYNOLFSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079080 1192776950 /nfs/dbraw/zinc/77/69/50/1192776950.db2.gz UJGSJRJBHVDMLR-IERDGZPVSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079080 1192776953 /nfs/dbraw/zinc/77/69/53/1192776953.db2.gz UJGSJRJBHVDMLR-IERDGZPVSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000419088276 1192779689 /nfs/dbraw/zinc/77/96/89/1192779689.db2.gz QTMNIAPCQINOFA-OVYGPGRDSA-N 2 1 380.533 0.495 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419089474 1192780840 /nfs/dbraw/zinc/78/08/40/1192780840.db2.gz SWZOBVNIQPCMMU-IYBDPMFKSA-N 2 1 382.549 0.839 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419089474 1192780843 /nfs/dbraw/zinc/78/08/43/1192780843.db2.gz SWZOBVNIQPCMMU-IYBDPMFKSA-N 2 1 382.549 0.839 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000728925890 1192783677 /nfs/dbraw/zinc/78/36/77/1192783677.db2.gz PMVRJRCSTLFKAG-UHFFFAOYSA-N 2 1 388.472 0.597 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098727 1192785724 /nfs/dbraw/zinc/78/57/24/1192785724.db2.gz HGSKJJLCZGVBRI-YOEHRIQHSA-N 2 1 380.439 0.737 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098726 1192785914 /nfs/dbraw/zinc/78/59/14/1192785914.db2.gz HGSKJJLCZGVBRI-WMLDXEAASA-N 2 1 380.439 0.737 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419094425 1192787461 /nfs/dbraw/zinc/78/74/61/1192787461.db2.gz ZNYQXVVVPGQENY-SOLBZPMBSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419094425 1192787465 /nfs/dbraw/zinc/78/74/65/1192787465.db2.gz ZNYQXVVVPGQENY-SOLBZPMBSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419094423 1192787686 /nfs/dbraw/zinc/78/76/86/1192787686.db2.gz ZNYQXVVVPGQENY-JZXOWHBKSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419094423 1192787689 /nfs/dbraw/zinc/78/76/89/1192787689.db2.gz ZNYQXVVVPGQENY-JZXOWHBKSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000419094424 1192787728 /nfs/dbraw/zinc/78/77/28/1192787728.db2.gz ZNYQXVVVPGQENY-NUJGCVRESA-N 2 1 394.560 0.981 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109327 1192789848 /nfs/dbraw/zinc/78/98/48/1192789848.db2.gz ATJCFYRRSOWDDN-SZMVWBNQSA-N 2 1 382.549 0.825 20 0 GCADMP c1c[nH+]c(N2CCN(c3cnc(N4CCN(c5[nH]cc[nH+]5)CC4)cn3)CC2)[nH]1 ZINC000663844349 1192791599 /nfs/dbraw/zinc/79/15/99/1192791599.db2.gz KGEPGAHQPBRKJN-UHFFFAOYSA-N 2 1 380.460 0.576 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000419120188 1192793763 /nfs/dbraw/zinc/79/37/63/1192793763.db2.gz PVBRQJQIUXQVLT-HCXYKTFWSA-N 2 1 394.560 0.744 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419119865 1192794222 /nfs/dbraw/zinc/79/42/22/1192794222.db2.gz PPEVRAFJSLAZMT-SZMVWBNQSA-N 2 1 382.549 0.744 20 0 GCADMP CCCN(C(=O)C(=O)NC[C@@H](C(CC)CC)[NH+]1CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000419123055 1192795296 /nfs/dbraw/zinc/79/52/96/1192795296.db2.gz UYDLUCGPFRHLKM-MSOLQXFVSA-N 2 1 382.549 0.840 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419114023 1192800142 /nfs/dbraw/zinc/80/01/42/1192800142.db2.gz HKONOVGDRMTHPP-FUHWJXTLSA-N 2 1 382.549 0.698 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419114012 1192800222 /nfs/dbraw/zinc/80/02/22/1192800222.db2.gz HKONOVGDRMTHPP-AEFFLSMTSA-N 2 1 382.549 0.698 20 0 GCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419131562 1192805890 /nfs/dbraw/zinc/80/58/90/1192805890.db2.gz ALFMJVNBUDNZQC-MOPGFXCFSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132082 1192806468 /nfs/dbraw/zinc/80/64/68/1192806468.db2.gz AUTIEKPNBYHNJJ-WIYYLYMNSA-N 2 1 388.512 0.591 20 0 GCADMP O=C(NCCC[NH2+]C1CC1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419132935 1192807117 /nfs/dbraw/zinc/80/71/17/1192807117.db2.gz CECWFXRHCWQBLJ-LJQANCHMSA-N 2 1 388.512 0.652 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[NH+](C)CC2)cc1 ZINC000432852224 1192814493 /nfs/dbraw/zinc/81/44/93/1192814493.db2.gz QNXHBOPXYOMFNA-SFHVURJKSA-N 2 1 394.541 0.675 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161877 1192821047 /nfs/dbraw/zinc/82/10/47/1192821047.db2.gz FLYOSSSQSQOQRU-BHIYHBOVSA-N 2 1 388.512 0.650 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419166955 1192823663 /nfs/dbraw/zinc/82/36/63/1192823663.db2.gz IFMGXXTWNLIYFP-SLFFLAALSA-N 2 1 384.524 0.735 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167284 1192823675 /nfs/dbraw/zinc/82/36/75/1192823675.db2.gz QKJRVEMHRKLNBB-MOPGFXCFSA-N 2 1 388.512 0.462 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419172297 1192825863 /nfs/dbraw/zinc/82/58/63/1192825863.db2.gz YWVNAYOBWTZETP-RTBURBONSA-N 2 1 390.528 0.883 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(=O)N(CC[NH3+])CCO)cc1 ZINC000419184078 1192835492 /nfs/dbraw/zinc/83/54/92/1192835492.db2.gz FNUBVJDJLCSIGF-INIZCTEOSA-N 2 1 376.501 0.457 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000419197733 1192837915 /nfs/dbraw/zinc/83/79/15/1192837915.db2.gz CAMZGXQPCWDPPB-FCEWJHQRSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419203910 1192849880 /nfs/dbraw/zinc/84/98/80/1192849880.db2.gz OLGSCFGXWTZMEG-AEFFLSMTSA-N 2 1 376.501 0.589 20 0 GCADMP CN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@@H+](C)CC1 ZINC000893740871 1192847689 /nfs/dbraw/zinc/84/76/89/1192847689.db2.gz MHPIDIATJWGCES-RTBURBONSA-N 2 1 381.565 0.643 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549798484 1192884346 /nfs/dbraw/zinc/88/43/46/1192884346.db2.gz PONAVSGQWCGSPB-CVEARBPZSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419213495 1192901717 /nfs/dbraw/zinc/90/17/17/1192901717.db2.gz LJPIVFMTFPOEDK-OAGGEKHMSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512584410 1192911573 /nfs/dbraw/zinc/91/15/73/1192911573.db2.gz XYJAGVOFZNUGMU-RTBURBONSA-N 2 1 383.581 0.939 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CC[C@H]21 ZINC000410952946 1192919573 /nfs/dbraw/zinc/91/95/73/1192919573.db2.gz JUZUDCZHURWZNI-GBESFXJTSA-N 2 1 392.544 0.500 20 0 GCADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600132644 1184084720 /nfs/dbraw/zinc/08/47/20/1184084720.db2.gz XLUFEQLJRIOXDL-ZWKOTPCHSA-N 2 1 380.533 0.642 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000579691376 1184089937 /nfs/dbraw/zinc/08/99/37/1184089937.db2.gz OQJKMYKGYXEAOS-FQEVSTJZSA-N 2 1 399.539 0.898 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)NC)nc1 ZINC000274557694 1184098589 /nfs/dbraw/zinc/09/85/89/1184098589.db2.gz ZICONMXFFSWJGY-INIZCTEOSA-N 2 1 397.545 0.478 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000579714607 1184103076 /nfs/dbraw/zinc/10/30/76/1184103076.db2.gz HBKPYJQSKAUMAO-CABCVRRESA-N 2 1 380.514 0.984 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000579714611 1184103442 /nfs/dbraw/zinc/10/34/42/1184103442.db2.gz HBKPYJQSKAUMAO-LSDHHAIUSA-N 2 1 380.514 0.984 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274634270 1184132065 /nfs/dbraw/zinc/13/20/65/1184132065.db2.gz IQVTZLSAAIMORQ-UHFFFAOYSA-N 3 1 378.521 0.207 20 0 GCADMP CC[N@H+](CCO)CCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000274634270 1184132069 /nfs/dbraw/zinc/13/20/69/1184132069.db2.gz IQVTZLSAAIMORQ-UHFFFAOYSA-N 2 1 378.521 0.207 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000274634270 1184132074 /nfs/dbraw/zinc/13/20/74/1184132074.db2.gz IQVTZLSAAIMORQ-UHFFFAOYSA-N 2 1 378.521 0.207 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643545784 1184164379 /nfs/dbraw/zinc/16/43/79/1184164379.db2.gz CHVUCRJSDOUBHI-FGTMMUONSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643545784 1184164383 /nfs/dbraw/zinc/16/43/83/1184164383.db2.gz CHVUCRJSDOUBHI-FGTMMUONSA-N 2 1 394.560 0.528 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1C ZINC000969302794 1184247213 /nfs/dbraw/zinc/24/72/13/1184247213.db2.gz GBIGAGJJVNPCKZ-RCFCFVIZSA-N 2 1 392.544 0.638 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1C ZINC000969302794 1184247219 /nfs/dbraw/zinc/24/72/19/1184247219.db2.gz GBIGAGJJVNPCKZ-RCFCFVIZSA-N 2 1 392.544 0.638 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1C ZINC000969302794 1184247223 /nfs/dbraw/zinc/24/72/23/1184247223.db2.gz GBIGAGJJVNPCKZ-RCFCFVIZSA-N 2 1 392.544 0.638 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)N3C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1C ZINC000969302794 1184247229 /nfs/dbraw/zinc/24/72/29/1184247229.db2.gz GBIGAGJJVNPCKZ-RCFCFVIZSA-N 2 1 392.544 0.638 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000579843754 1184316189 /nfs/dbraw/zinc/31/61/89/1184316189.db2.gz UBYLPAHTUYFHSP-SFHVURJKSA-N 2 1 395.935 0.678 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c2C1 ZINC000579854434 1184341565 /nfs/dbraw/zinc/34/15/65/1184341565.db2.gz YXCGCTYBCOOBEJ-GOEBONIOSA-N 2 1 385.468 0.121 20 0 GCADMP C[C@H](C(=O)NC(N)=O)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471235111 1184491325 /nfs/dbraw/zinc/49/13/25/1184491325.db2.gz NRGIQCHSOGUZIZ-OAHLLOKOSA-N 2 1 389.500 0.530 20 0 GCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171791 1184572084 /nfs/dbraw/zinc/57/20/84/1184572084.db2.gz YFYYHOPCOBYFFD-CEXWTWQISA-N 2 1 388.512 0.780 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557263 1184573656 /nfs/dbraw/zinc/57/36/56/1184573656.db2.gz UATBXRLEXYWPOU-ICSRJNTNSA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557263 1184573662 /nfs/dbraw/zinc/57/36/62/1184573662.db2.gz UATBXRLEXYWPOU-ICSRJNTNSA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@]2(CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557263 1184573666 /nfs/dbraw/zinc/57/36/66/1184573666.db2.gz UATBXRLEXYWPOU-ICSRJNTNSA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000275380232 1184644153 /nfs/dbraw/zinc/64/41/53/1184644153.db2.gz ASVUZVKYNNLJHP-KRWDZBQOSA-N 2 1 389.500 0.185 20 0 GCADMP C[NH+](C)CC[C@H](N)C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000653109735 1184649977 /nfs/dbraw/zinc/64/99/77/1184649977.db2.gz LAFALZOBXCINLA-SFHVURJKSA-N 2 1 391.516 0.243 20 0 GCADMP Cc1nnc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001707870651 1184660465 /nfs/dbraw/zinc/66/04/65/1184660465.db2.gz KUODQLYEYJOLOH-APWZRJJASA-N 2 1 392.548 0.590 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000275434561 1184666636 /nfs/dbraw/zinc/66/66/36/1184666636.db2.gz JHIZELHXHYGGSA-UHFFFAOYSA-N 2 1 389.500 0.010 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642729108 1184756135 /nfs/dbraw/zinc/75/61/35/1184756135.db2.gz JVGBCDUZWTVKIZ-QZTJIDSGSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642729108 1184756139 /nfs/dbraw/zinc/75/61/39/1184756139.db2.gz JVGBCDUZWTVKIZ-QZTJIDSGSA-N 2 1 390.553 0.979 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744864 1184858294 /nfs/dbraw/zinc/85/82/94/1184858294.db2.gz HSFDDPNXYXDSDJ-XYJFISCASA-N 2 1 376.501 0.364 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744864 1184858299 /nfs/dbraw/zinc/85/82/99/1184858299.db2.gz HSFDDPNXYXDSDJ-XYJFISCASA-N 2 1 376.501 0.364 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744865 1184858869 /nfs/dbraw/zinc/85/88/69/1184858869.db2.gz IEDSXEUXGJQOFB-AEFFLSMTSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C)([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744865 1184858875 /nfs/dbraw/zinc/85/88/75/1184858875.db2.gz IEDSXEUXGJQOFB-AEFFLSMTSA-N 2 1 388.512 0.732 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000655974153 1184909806 /nfs/dbraw/zinc/90/98/06/1184909806.db2.gz NGQNQVONOMGDHV-KURKYZTESA-N 2 1 377.533 0.857 20 0 GCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)nn1 ZINC000656029037 1184964656 /nfs/dbraw/zinc/96/46/56/1184964656.db2.gz URYUWVKHDWOGCK-BRWVUGGUSA-N 2 1 389.504 0.033 20 0 GCADMP C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)cc2)CC1 ZINC000188736449 1184972115 /nfs/dbraw/zinc/97/21/15/1184972115.db2.gz QAUNKRSIKPUSCF-UHFFFAOYSA-N 2 1 382.468 0.624 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580172930 1185104445 /nfs/dbraw/zinc/10/44/45/1185104445.db2.gz MQMONIICODGBLH-MOPGFXCFSA-N 2 1 375.517 0.480 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)CNC(=O)[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000580187911 1185109095 /nfs/dbraw/zinc/10/90/95/1185109095.db2.gz IPTIERVQWKNJDN-MRXNPFEDSA-N 2 1 377.489 0.488 20 0 GCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000580184558 1185109875 /nfs/dbraw/zinc/10/98/75/1185109875.db2.gz HHDIHEAOYGUJBA-VNTMZGSJSA-N 2 1 382.508 0.787 20 0 GCADMP CN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000580241388 1185127492 /nfs/dbraw/zinc/12/74/92/1185127492.db2.gz NHUMPBTYPVJICU-LJQANCHMSA-N 2 1 390.528 0.804 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000580301702 1185144253 /nfs/dbraw/zinc/14/42/53/1185144253.db2.gz POUSKUMSHOVBSB-ZWKOTPCHSA-N 2 1 387.528 0.511 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308083 1185148511 /nfs/dbraw/zinc/14/85/11/1185148511.db2.gz SBPBCZLWUZQZDR-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308083 1185148519 /nfs/dbraw/zinc/14/85/19/1185148519.db2.gz SBPBCZLWUZQZDR-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000580308083 1185148523 /nfs/dbraw/zinc/14/85/23/1185148523.db2.gz SBPBCZLWUZQZDR-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308084 1185148607 /nfs/dbraw/zinc/14/86/07/1185148607.db2.gz SBPBCZLWUZQZDR-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308084 1185148613 /nfs/dbraw/zinc/14/86/13/1185148613.db2.gz SBPBCZLWUZQZDR-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000580308084 1185148622 /nfs/dbraw/zinc/14/86/22/1185148622.db2.gz SBPBCZLWUZQZDR-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C(N)=O)c1 ZINC000275818903 1185149895 /nfs/dbraw/zinc/14/98/95/1185149895.db2.gz FJRMVVWCNDEHOG-QGZVFWFLSA-N 2 1 389.500 0.599 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000580336548 1185176278 /nfs/dbraw/zinc/17/62/78/1185176278.db2.gz RJISZSYICHMERF-KRWDZBQOSA-N 2 1 390.528 0.586 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000580336548 1185176281 /nfs/dbraw/zinc/17/62/81/1185176281.db2.gz RJISZSYICHMERF-KRWDZBQOSA-N 2 1 390.528 0.586 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC000580366593 1185204327 /nfs/dbraw/zinc/20/43/27/1185204327.db2.gz IXVXPMDBCGKEOE-RTBURBONSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000668432135 1185290479 /nfs/dbraw/zinc/29/04/79/1185290479.db2.gz MFRWLOMPVZVOSS-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(CC)CC)[NH+]2CCOCC2)C1 ZINC000668432135 1185290485 /nfs/dbraw/zinc/29/04/85/1185290485.db2.gz MFRWLOMPVZVOSS-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000580634323 1185293371 /nfs/dbraw/zinc/29/33/71/1185293371.db2.gz LOLXZHUTPCHFOE-KSZLIROESA-N 2 1 392.544 0.545 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656284846 1185321136 /nfs/dbraw/zinc/32/11/36/1185321136.db2.gz AHQUAVRGIVHVRA-KZNAEPCWSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656284846 1185321142 /nfs/dbraw/zinc/32/11/42/1185321142.db2.gz AHQUAVRGIVHVRA-KZNAEPCWSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656284846 1185321150 /nfs/dbraw/zinc/32/11/50/1185321150.db2.gz AHQUAVRGIVHVRA-KZNAEPCWSA-N 2 1 380.533 0.593 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656293610 1185352582 /nfs/dbraw/zinc/35/25/82/1185352582.db2.gz KZVOOJZMDNCZDA-ZWKOTPCHSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656293610 1185352587 /nfs/dbraw/zinc/35/25/87/1185352587.db2.gz KZVOOJZMDNCZDA-ZWKOTPCHSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656293610 1185352591 /nfs/dbraw/zinc/35/25/91/1185352591.db2.gz KZVOOJZMDNCZDA-ZWKOTPCHSA-N 2 1 379.549 0.262 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C[C@@H]21 ZINC000580775413 1185354624 /nfs/dbraw/zinc/35/46/24/1185354624.db2.gz VHBJPQZWPFHKOA-XMTFNYHQSA-N 2 1 378.517 0.286 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000413402787 1185358972 /nfs/dbraw/zinc/35/89/72/1185358972.db2.gz VWSGCZURXNAMFE-OALUTQOASA-N 2 1 398.548 0.353 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000580830965 1185390088 /nfs/dbraw/zinc/39/00/88/1185390088.db2.gz WMNHGTRPMIQIAQ-NVXWUHKLSA-N 2 1 387.484 0.191 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400808 /nfs/dbraw/zinc/40/08/08/1185400808.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400818 /nfs/dbraw/zinc/40/08/18/1185400818.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400824 /nfs/dbraw/zinc/40/08/24/1185400824.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400830 /nfs/dbraw/zinc/40/08/30/1185400830.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315952 1185400839 /nfs/dbraw/zinc/40/08/39/1185400839.db2.gz NRIJLPWRGCTUAC-UHOSZYNNSA-N 2 1 391.560 0.404 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1CC(C)(C)O ZINC000656355727 1185454993 /nfs/dbraw/zinc/45/49/93/1185454993.db2.gz NLAXBGAVWUCLSV-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)CC[N@H+]1CC(C)(C)O ZINC000656355727 1185454997 /nfs/dbraw/zinc/45/49/97/1185454997.db2.gz NLAXBGAVWUCLSV-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000656355727 1185455001 /nfs/dbraw/zinc/45/50/01/1185455001.db2.gz NLAXBGAVWUCLSV-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC[NH+]1CC(C)(C)O ZINC000656355727 1185455003 /nfs/dbraw/zinc/45/50/03/1185455003.db2.gz NLAXBGAVWUCLSV-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356458 1185457333 /nfs/dbraw/zinc/45/73/33/1185457333.db2.gz DMTIKFPNOMEVQD-QRQLOZEOSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356458 1185457337 /nfs/dbraw/zinc/45/73/37/1185457337.db2.gz DMTIKFPNOMEVQD-QRQLOZEOSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356458 1185457343 /nfs/dbraw/zinc/45/73/43/1185457343.db2.gz DMTIKFPNOMEVQD-QRQLOZEOSA-N 2 1 392.544 0.831 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N3CCC[N@H+](C4CCCC4)CC3)C[C@H]2[NH3+])cn1 ZINC000581006856 1185468082 /nfs/dbraw/zinc/46/80/82/1185468082.db2.gz SRZLTQSTRUKIBN-ZWKOTPCHSA-N 2 1 388.516 0.150 20 0 GCADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000581090749 1185493905 /nfs/dbraw/zinc/49/39/05/1185493905.db2.gz USCRDVDRMPRGAG-CVEARBPZSA-N 2 1 376.505 1.062 20 0 GCADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000581090749 1185493910 /nfs/dbraw/zinc/49/39/10/1185493910.db2.gz USCRDVDRMPRGAG-CVEARBPZSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000581090749 1185493911 /nfs/dbraw/zinc/49/39/11/1185493911.db2.gz USCRDVDRMPRGAG-CVEARBPZSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000581090749 1185493916 /nfs/dbraw/zinc/49/39/16/1185493916.db2.gz USCRDVDRMPRGAG-CVEARBPZSA-N 2 1 376.505 1.062 20 0 GCADMP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000581090753 1185494018 /nfs/dbraw/zinc/49/40/18/1185494018.db2.gz USCRDVDRMPRGAG-JKSUJKDBSA-N 2 1 376.505 1.062 20 0 GCADMP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000581090753 1185494022 /nfs/dbraw/zinc/49/40/22/1185494022.db2.gz USCRDVDRMPRGAG-JKSUJKDBSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000581090753 1185494024 /nfs/dbraw/zinc/49/40/24/1185494024.db2.gz USCRDVDRMPRGAG-JKSUJKDBSA-N 2 1 376.505 1.062 20 0 GCADMP C[NH+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000581090753 1185494027 /nfs/dbraw/zinc/49/40/27/1185494027.db2.gz USCRDVDRMPRGAG-JKSUJKDBSA-N 2 1 376.505 1.062 20 0 GCADMP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152526 1185503604 /nfs/dbraw/zinc/50/36/04/1185503604.db2.gz XLIRICSGHSPCMM-KRWDZBQOSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000648152429 1185504204 /nfs/dbraw/zinc/50/42/04/1185504204.db2.gz DITWWIKPHURCRX-SFHVURJKSA-N 2 1 395.592 0.707 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133160 1185509492 /nfs/dbraw/zinc/50/94/92/1185509492.db2.gz ZDEHFEBDGNRYBH-MSOLQXFVSA-N 3 1 375.517 0.192 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133160 1185509498 /nfs/dbraw/zinc/50/94/98/1185509498.db2.gz ZDEHFEBDGNRYBH-MSOLQXFVSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000581183035 1185525904 /nfs/dbraw/zinc/52/59/04/1185525904.db2.gz NWNPDQVSRGAGBS-XFKAJCMBSA-N 2 1 378.517 0.079 20 0 GCADMP CC(C)Nc1nc(N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nc(NCCO)[nH+]1 ZINC000581208629 1185530719 /nfs/dbraw/zinc/53/07/19/1185530719.db2.gz UGDOWNAJUAQWIK-OWCLPIDISA-N 2 1 377.537 0.782 20 0 GCADMP CC(C)Nc1nc(N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(NCCO)[nH+]1 ZINC000581208629 1185530725 /nfs/dbraw/zinc/53/07/25/1185530725.db2.gz UGDOWNAJUAQWIK-OWCLPIDISA-N 2 1 377.537 0.782 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1OC ZINC000276084300 1185556824 /nfs/dbraw/zinc/55/68/24/1185556824.db2.gz USXGDOYHZIFSDL-CQSZACIVSA-N 2 1 378.477 0.298 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562067 1185607809 /nfs/dbraw/zinc/60/78/09/1185607809.db2.gz CHSZLABHLAQITL-CABCVRRESA-N 2 1 386.504 0.071 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562067 1185607816 /nfs/dbraw/zinc/60/78/16/1185607816.db2.gz CHSZLABHLAQITL-CABCVRRESA-N 2 1 386.504 0.071 20 0 GCADMP CCc1nc(CNCC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)no1 ZINC001104345589 1185611872 /nfs/dbraw/zinc/61/18/72/1185611872.db2.gz JKARIYAJLAUXLE-KLHDSHLOSA-N 2 1 379.505 0.925 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000581361283 1185615850 /nfs/dbraw/zinc/61/58/50/1185615850.db2.gz SWPRJZQUBNZPJI-KRWDZBQOSA-N 2 1 398.548 0.077 20 0 GCADMP NC(=O)CCN(C(=O)C[NH+]1CCC(OCCC[NH3+])CC1)c1ccc(F)cc1 ZINC000430573063 1185625093 /nfs/dbraw/zinc/62/50/93/1185625093.db2.gz QTDPQIXZKHPBQZ-UHFFFAOYSA-N 2 1 380.464 0.864 20 0 GCADMP CCN(CCC[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000276167189 1185643306 /nfs/dbraw/zinc/64/33/06/1185643306.db2.gz UKNZLMGDZTZBRC-UHFFFAOYSA-N 2 1 377.537 0.972 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000471648980 1185647359 /nfs/dbraw/zinc/64/73/59/1185647359.db2.gz WXRITBBXQBWAAV-RTBURBONSA-N 2 1 378.517 0.747 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590207 1185651037 /nfs/dbraw/zinc/65/10/37/1185651037.db2.gz BSVUJTRRJSZHNU-IRXDYDNUSA-N 2 1 394.541 0.579 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590207 1185651042 /nfs/dbraw/zinc/65/10/42/1185651042.db2.gz BSVUJTRRJSZHNU-IRXDYDNUSA-N 2 1 394.541 0.579 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590206 1185651407 /nfs/dbraw/zinc/65/14/07/1185651407.db2.gz BSVUJTRRJSZHNU-IAGOWNOFSA-N 2 1 394.541 0.579 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590206 1185651412 /nfs/dbraw/zinc/65/14/12/1185651412.db2.gz BSVUJTRRJSZHNU-IAGOWNOFSA-N 2 1 394.541 0.579 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471652646 1185665993 /nfs/dbraw/zinc/66/59/93/1185665993.db2.gz KTPLFSWMDLVMSW-UHFFFAOYSA-N 2 1 397.564 0.540 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000581419027 1185666076 /nfs/dbraw/zinc/66/60/76/1185666076.db2.gz XOUYFHRUVMIQGU-KSZLIROESA-N 2 1 395.548 0.659 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418843 1185666287 /nfs/dbraw/zinc/66/62/87/1185666287.db2.gz FFGSZYIBAXKWAF-YJBOKZPZSA-N 2 1 378.473 0.647 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@@H](C[NH3+])C3)C2)cc(OC)c1 ZINC000581418843 1185666289 /nfs/dbraw/zinc/66/62/89/1185666289.db2.gz FFGSZYIBAXKWAF-YJBOKZPZSA-N 2 1 378.473 0.647 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000581420008 1185668634 /nfs/dbraw/zinc/66/86/34/1185668634.db2.gz MJLRGXVSBFJQDC-MTNOOBJLSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000581420008 1185668645 /nfs/dbraw/zinc/66/86/45/1185668645.db2.gz MJLRGXVSBFJQDC-MTNOOBJLSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487030 1185670785 /nfs/dbraw/zinc/67/07/85/1185670785.db2.gz ARVNHWZNBMMSLC-KURKYZTESA-N 2 1 387.528 0.699 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430598345 1185677313 /nfs/dbraw/zinc/67/73/13/1185677313.db2.gz CTROUHJSVSBUIS-MSOLQXFVSA-N 2 1 387.528 0.511 20 0 GCADMP C[NH+](C)CCOCCNC(=O)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000471655976 1185680420 /nfs/dbraw/zinc/68/04/20/1185680420.db2.gz ZVJGUAYVZRBGMF-UHFFFAOYSA-N 2 1 381.496 0.825 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000072067274 1185699220 /nfs/dbraw/zinc/69/92/20/1185699220.db2.gz PZTZCJCUKPURAD-MRXNPFEDSA-N 2 1 382.530 0.822 20 0 GCADMP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606006 1185700203 /nfs/dbraw/zinc/70/02/03/1185700203.db2.gz VEVDTSRTINSEKG-GOEBONIOSA-N 2 1 394.491 0.968 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430606106 1185723842 /nfs/dbraw/zinc/72/38/42/1185723842.db2.gz UFUQHVPWNXTRJG-OAHLLOKOSA-N 2 1 387.484 0.304 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000430606106 1185723844 /nfs/dbraw/zinc/72/38/44/1185723844.db2.gz UFUQHVPWNXTRJG-OAHLLOKOSA-N 2 1 387.484 0.304 20 0 GCADMP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608045 1185723870 /nfs/dbraw/zinc/72/38/70/1185723870.db2.gz DIMGHDNVDFXABI-QGZVFWFLSA-N 2 1 376.501 0.701 20 0 GCADMP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607461 1185731290 /nfs/dbraw/zinc/73/12/90/1185731290.db2.gz CFXJUAFYDBKLIT-JKSUJKDBSA-N 2 1 393.532 0.677 20 0 GCADMP O=C([C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1)N1CC[NH2+]CC1 ZINC000430608748 1185738083 /nfs/dbraw/zinc/73/80/83/1185738083.db2.gz FZDAFOJWUGUQDF-CQSZACIVSA-N 2 1 389.887 0.992 20 0 GCADMP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609593 1185752545 /nfs/dbraw/zinc/75/25/45/1185752545.db2.gz HQJLIQNYECLHTO-QWHCGFSZSA-N 2 1 379.436 0.649 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)O1 ZINC001022017642 1185770940 /nfs/dbraw/zinc/77/09/40/1185770940.db2.gz OBHVPMCUDNRYNQ-BZZMCLGOSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C4CC[NH+](C)CC4)C[C@H]32)O1 ZINC001022017642 1185770945 /nfs/dbraw/zinc/77/09/45/1185770945.db2.gz OBHVPMCUDNRYNQ-BZZMCLGOSA-N 2 1 378.517 0.107 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)O1 ZINC001022018179 1185772510 /nfs/dbraw/zinc/77/25/10/1185772510.db2.gz YSRLWLNJJURAEH-XMTFNYHQSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)O1 ZINC001022018179 1185772517 /nfs/dbraw/zinc/77/25/17/1185772517.db2.gz YSRLWLNJJURAEH-XMTFNYHQSA-N 2 1 392.544 0.639 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430620154 1185796549 /nfs/dbraw/zinc/79/65/49/1185796549.db2.gz HIQVDLLLOXSWIT-HNNXBMFYSA-N 2 1 387.484 0.539 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430620154 1185796555 /nfs/dbraw/zinc/79/65/55/1185796555.db2.gz HIQVDLLLOXSWIT-HNNXBMFYSA-N 2 1 387.484 0.539 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430620158 1185796935 /nfs/dbraw/zinc/79/69/35/1185796935.db2.gz HIQVDLLLOXSWIT-OAHLLOKOSA-N 2 1 387.484 0.539 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000430620158 1185796938 /nfs/dbraw/zinc/79/69/38/1185796938.db2.gz HIQVDLLLOXSWIT-OAHLLOKOSA-N 2 1 387.484 0.539 20 0 GCADMP C[N@@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)CC(=O)N1CC[NH2+]CC1 ZINC000430622038 1185797801 /nfs/dbraw/zinc/79/78/01/1185797801.db2.gz FCVNLUGSPPSCHU-UHFFFAOYSA-N 2 1 391.491 0.228 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCC[C@H](C(F)(F)F)C1 ZINC000430621792 1185797858 /nfs/dbraw/zinc/79/78/58/1185797858.db2.gz KEMQXTVIWPNIOB-GJZGRUSLSA-N 2 1 390.450 0.931 20 0 GCADMP COc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623849 1185805187 /nfs/dbraw/zinc/80/51/87/1185805187.db2.gz NOJAHKDQNDNFGO-KBPBESRZSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623849 1185805193 /nfs/dbraw/zinc/80/51/93/1185805193.db2.gz NOJAHKDQNDNFGO-KBPBESRZSA-N 2 1 378.473 0.818 20 0 GCADMP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430623192 1185805578 /nfs/dbraw/zinc/80/55/78/1185805578.db2.gz HEWJXBWFEPAMSX-IAGOWNOFSA-N 2 1 376.501 0.665 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000430625430 1185809909 /nfs/dbraw/zinc/80/99/09/1185809909.db2.gz JHYRZEIFXDRFNW-AWEZNQCLSA-N 2 1 384.427 0.691 20 0 GCADMP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430625927 1185810342 /nfs/dbraw/zinc/81/03/42/1185810342.db2.gz KEXSRURXOJRDHW-HOCLYGCPSA-N 2 1 375.473 0.188 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1cc(F)cc(F)c1 ZINC000430626618 1185811046 /nfs/dbraw/zinc/81/10/46/1185811046.db2.gz RTBPEAIKRLMXFM-OAHLLOKOSA-N 2 1 380.439 0.725 20 0 GCADMP CCCOc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430628677 1185815222 /nfs/dbraw/zinc/81/52/22/1185815222.db2.gz PAZLMFMFIKVMHA-KRWDZBQOSA-N 2 1 376.501 0.879 20 0 GCADMP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633003 1185822426 /nfs/dbraw/zinc/82/24/26/1185822426.db2.gz ZTPLXYKSEWZCHR-OWCLPIDISA-N 2 1 390.484 0.118 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)CC[N@@H+]1C ZINC001022056671 1185824484 /nfs/dbraw/zinc/82/44/84/1185824484.db2.gz SRQGEQJLAIRZTH-CXHZTBPHSA-N 2 1 389.500 0.749 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)[C@@H]3C2)CC[N@H+]1C ZINC001022056671 1185824490 /nfs/dbraw/zinc/82/44/90/1185824490.db2.gz SRQGEQJLAIRZTH-CXHZTBPHSA-N 2 1 389.500 0.749 20 0 GCADMP COc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430637052 1185831405 /nfs/dbraw/zinc/83/14/05/1185831405.db2.gz APLNYFHSVXHAHH-MRXNPFEDSA-N 2 1 392.500 0.149 20 0 GCADMP C[C@@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637592 1185839603 /nfs/dbraw/zinc/83/96/03/1185839603.db2.gz CSCQXPFLKFFHPC-HOTGVXAUSA-N 2 1 378.542 0.939 20 0 GCADMP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000430640704 1185843990 /nfs/dbraw/zinc/84/39/90/1185843990.db2.gz HQZKQNBBMUCWGA-HNNXBMFYSA-N 2 1 375.473 0.738 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641129 1185852324 /nfs/dbraw/zinc/85/23/24/1185852324.db2.gz SJECBNUCJOZRJN-CVEARBPZSA-N 2 1 376.505 0.508 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641129 1185852333 /nfs/dbraw/zinc/85/23/33/1185852333.db2.gz SJECBNUCJOZRJN-CVEARBPZSA-N 2 1 376.505 0.508 20 0 GCADMP O=C([C@@H]1CCC[N@H+](CCCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430644834 1185857847 /nfs/dbraw/zinc/85/78/47/1185857847.db2.gz ZIFDNYANNDCWCU-QGZVFWFLSA-N 2 1 379.526 0.994 20 0 GCADMP O=C([C@@H]1CCC[N@@H+](CCCS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430644834 1185857853 /nfs/dbraw/zinc/85/78/53/1185857853.db2.gz ZIFDNYANNDCWCU-QGZVFWFLSA-N 2 1 379.526 0.994 20 0 GCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430648126 1185865573 /nfs/dbraw/zinc/86/55/73/1185865573.db2.gz YZQIPURJVQLUOI-KGLIPLIRSA-N 2 1 382.455 0.799 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430653343 1185877503 /nfs/dbraw/zinc/87/75/03/1185877503.db2.gz YWVNBRNHRAOVLO-MRXNPFEDSA-N 2 1 387.484 0.727 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430653343 1185877507 /nfs/dbraw/zinc/87/75/07/1185877507.db2.gz YWVNBRNHRAOVLO-MRXNPFEDSA-N 2 1 387.484 0.727 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000430658397 1185899913 /nfs/dbraw/zinc/89/99/13/1185899913.db2.gz XKJASKGXNHGVAJ-ROUUACIJSA-N 2 1 387.528 0.416 20 0 GCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519411 1185903235 /nfs/dbraw/zinc/90/32/35/1185903235.db2.gz XSOJANOQMQNVIZ-HZMVEIRTSA-N 2 1 379.505 0.683 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891536046 1185908190 /nfs/dbraw/zinc/90/81/90/1185908190.db2.gz BMICXTRDYYVJKN-YPMHNXCESA-N 2 1 379.427 0.318 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578909 1185925020 /nfs/dbraw/zinc/92/50/20/1185925020.db2.gz COFAWAPZNNRCSR-TWMKSMIVSA-N 2 1 379.505 0.827 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419891210 1185977214 /nfs/dbraw/zinc/97/72/14/1185977214.db2.gz IIXHZFJKFIFMBI-ZWKOTPCHSA-N 2 1 382.549 0.970 20 0 GCADMP CN1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC[N@@H+](C)CC1 ZINC000891714863 1185993633 /nfs/dbraw/zinc/99/36/33/1185993633.db2.gz YDNKFJBRJCCHRP-UHFFFAOYSA-N 2 1 389.548 0.222 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000581933920 1185994806 /nfs/dbraw/zinc/99/48/06/1185994806.db2.gz HRHYJICMNYONJQ-WMZOPIPTSA-N 2 1 390.528 0.835 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000581933920 1185994810 /nfs/dbraw/zinc/99/48/10/1185994810.db2.gz HRHYJICMNYONJQ-WMZOPIPTSA-N 2 1 390.528 0.835 20 0 GCADMP [NH3+]Cc1ccc(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)cc1 ZINC000581942315 1185999513 /nfs/dbraw/zinc/99/95/13/1185999513.db2.gz KCRNWDSTPKSMTR-UHFFFAOYSA-N 2 1 383.500 0.947 20 0 GCADMP COCC[C@]1(C(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC[NH2+]C1 ZINC000430701184 1186005708 /nfs/dbraw/zinc/00/57/08/1186005708.db2.gz UZPIXBBPUVRHDN-HXUWFJFHSA-N 2 1 380.533 0.405 20 0 GCADMP CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000891762004 1186014842 /nfs/dbraw/zinc/01/48/42/1186014842.db2.gz KRDCGFJWUYQQRK-QGZVFWFLSA-N 2 1 375.521 0.724 20 0 GCADMP CN(C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000891762004 1186014849 /nfs/dbraw/zinc/01/48/49/1186014849.db2.gz KRDCGFJWUYQQRK-QGZVFWFLSA-N 2 1 375.521 0.724 20 0 GCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cn2)CC1 ZINC000430866920 1186043705 /nfs/dbraw/zinc/04/37/05/1186043705.db2.gz QXCXNLRUEKUKBJ-IAGOWNOFSA-N 2 1 376.505 0.893 20 0 GCADMP Cc1c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)nnn1C1CC[NH2+]CC1 ZINC000430873754 1186044792 /nfs/dbraw/zinc/04/47/92/1186044792.db2.gz WODYUYRGPKHAED-INIZCTEOSA-N 2 1 391.520 0.184 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000430959150 1186067597 /nfs/dbraw/zinc/06/75/97/1186067597.db2.gz WTRSVFUTPGPLQX-SJORKVTESA-N 2 1 394.541 0.497 20 0 GCADMP Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000430959150 1186067604 /nfs/dbraw/zinc/06/76/04/1186067604.db2.gz WTRSVFUTPGPLQX-SJORKVTESA-N 2 1 394.541 0.497 20 0 GCADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960686 1186070428 /nfs/dbraw/zinc/07/04/28/1186070428.db2.gz KYUJYKMIYFZRFC-MRXNPFEDSA-N 2 1 383.514 0.628 20 0 GCADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430960686 1186070433 /nfs/dbraw/zinc/07/04/33/1186070433.db2.gz KYUJYKMIYFZRFC-MRXNPFEDSA-N 2 1 383.514 0.628 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854052 1186093988 /nfs/dbraw/zinc/09/39/88/1186093988.db2.gz ADKZPGOLDJCAPZ-HZMVEIRTSA-N 2 1 395.504 0.064 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001691279896 1186111485 /nfs/dbraw/zinc/11/14/85/1186111485.db2.gz GAEBZEPBHKMCDO-WNRNVDISSA-N 2 1 390.532 0.123 20 0 GCADMP Cc1c(C(=O)NCC2CCN(CC[NH+](C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000431061523 1186116212 /nfs/dbraw/zinc/11/62/12/1186116212.db2.gz LAVRRYSMDSQRIT-UHFFFAOYSA-N 2 1 377.537 0.514 20 0 GCADMP [NH3+]C[C@@H](NC(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1)C1CCCCC1 ZINC000892007922 1186305881 /nfs/dbraw/zinc/30/58/81/1186305881.db2.gz COEVSJYGEVUDMF-RBUKOAKNSA-N 2 1 381.565 0.990 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)CC1 ZINC000236935134 1186356222 /nfs/dbraw/zinc/35/62/22/1186356222.db2.gz CXDTUCAFMYYATI-KRWDZBQOSA-N 2 1 382.574 0.874 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)CC1 ZINC000236935008 1186356288 /nfs/dbraw/zinc/35/62/88/1186356288.db2.gz CXDTUCAFMYYATI-QGZVFWFLSA-N 2 1 382.574 0.874 20 0 GCADMP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431326958 1186360651 /nfs/dbraw/zinc/36/06/51/1186360651.db2.gz PIMNCIYBNNHWBK-IBGZPJMESA-N 2 1 394.560 0.938 20 0 GCADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000431326958 1186360657 /nfs/dbraw/zinc/36/06/57/1186360657.db2.gz PIMNCIYBNNHWBK-IBGZPJMESA-N 2 1 394.560 0.938 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NC2CCC([NH+]3CCNCC3)CC2)C[C@H]1C(F)(F)F ZINC000892132664 1186363943 /nfs/dbraw/zinc/36/39/43/1186363943.db2.gz QXLULFXXRFERPA-VXGQWTEUSA-N 2 1 377.455 0.981 20 0 GCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000582017265 1186372636 /nfs/dbraw/zinc/37/26/36/1186372636.db2.gz ISYKSDBHISFYKB-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000582017265 1186372638 /nfs/dbraw/zinc/37/26/38/1186372638.db2.gz ISYKSDBHISFYKB-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000582017265 1186372641 /nfs/dbraw/zinc/37/26/41/1186372641.db2.gz ISYKSDBHISFYKB-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000582017042 1186372997 /nfs/dbraw/zinc/37/29/97/1186372997.db2.gz XJGCZYLKVJSZKQ-UHFFFAOYSA-N 2 1 395.548 0.036 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892187834 1186419612 /nfs/dbraw/zinc/41/96/12/1186419612.db2.gz NJLZWAITSYOGBB-HCXYKTFWSA-N 2 1 379.549 0.470 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+]1CCOC ZINC000582137083 1186432707 /nfs/dbraw/zinc/43/27/07/1186432707.db2.gz USPHZRIHFTWGGK-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@H+]1CCOC ZINC000582137083 1186432709 /nfs/dbraw/zinc/43/27/09/1186432709.db2.gz USPHZRIHFTWGGK-LJQANCHMSA-N 2 1 394.560 0.936 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000582231967 1186470966 /nfs/dbraw/zinc/47/09/66/1186470966.db2.gz VYJUVZMBIWNWBR-UHFFFAOYSA-N 2 1 387.528 0.383 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000582256240 1186476866 /nfs/dbraw/zinc/47/68/66/1186476866.db2.gz KCKFZCPLHZQPTQ-RBUKOAKNSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000582256240 1186476870 /nfs/dbraw/zinc/47/68/70/1186476870.db2.gz KCKFZCPLHZQPTQ-RBUKOAKNSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H](C)CN1CC[NH+](C)CC1 ZINC000582256240 1186476873 /nfs/dbraw/zinc/47/68/73/1186476873.db2.gz KCKFZCPLHZQPTQ-RBUKOAKNSA-N 2 1 395.592 0.613 20 0 GCADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000582252537 1186478155 /nfs/dbraw/zinc/47/81/55/1186478155.db2.gz KFBVXPMNEPSPKQ-QZTJIDSGSA-N 2 1 385.512 0.995 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000582315901 1186492825 /nfs/dbraw/zinc/49/28/25/1186492825.db2.gz NNHITOURUSDOLL-OALUTQOASA-N 2 1 391.560 0.404 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000582360840 1186503602 /nfs/dbraw/zinc/50/36/02/1186503602.db2.gz UGINYCKWRGDATH-IAGOWNOFSA-N 2 1 394.541 0.314 20 0 GCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC001022723336 1186509533 /nfs/dbraw/zinc/50/95/33/1186509533.db2.gz QNTXDUSUYNBYEH-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[NH+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC001022723336 1186509536 /nfs/dbraw/zinc/50/95/36/1186509536.db2.gz QNTXDUSUYNBYEH-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@@H+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC001022723336 1186509541 /nfs/dbraw/zinc/50/95/41/1186509541.db2.gz QNTXDUSUYNBYEH-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)C[N@H+]4CCC(C)(C)C4)[C@@H]3C2)O1 ZINC001022723336 1186509544 /nfs/dbraw/zinc/50/95/44/1186509544.db2.gz QNTXDUSUYNBYEH-XMTFNYHQSA-N 2 1 392.544 0.497 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCO[C@H](CC(=O)OC)C3)CC2)CC1 ZINC000563384029 1186559520 /nfs/dbraw/zinc/55/95/20/1186559520.db2.gz RXXGQDDGHDUMRL-GOSISDBHSA-N 2 1 381.517 0.973 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)CC2)c1 ZINC000582600357 1186580314 /nfs/dbraw/zinc/58/03/14/1186580314.db2.gz WSQKDMKVPNHPFD-ROUUACIJSA-N 2 1 385.512 0.887 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@H](C[NH3+])C1 ZINC000582600496 1186581174 /nfs/dbraw/zinc/58/11/74/1186581174.db2.gz TVGJGZSMCOABEC-DENIHFKCSA-N 2 1 399.539 0.212 20 0 GCADMP C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656102 1186626048 /nfs/dbraw/zinc/62/60/48/1186626048.db2.gz XGPXVQPVCNSTEV-RBUKOAKNSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656102 1186626051 /nfs/dbraw/zinc/62/60/51/1186626051.db2.gz XGPXVQPVCNSTEV-RBUKOAKNSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656102 1186626055 /nfs/dbraw/zinc/62/60/55/1186626055.db2.gz XGPXVQPVCNSTEV-RBUKOAKNSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C[NH+]1CCN(C)CC1 ZINC000074656110 1186626346 /nfs/dbraw/zinc/62/63/46/1186626346.db2.gz XGPXVQPVCNSTEV-OALUTQOASA-N 2 1 380.581 0.291 20 0 GCADMP C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656110 1186626350 /nfs/dbraw/zinc/62/63/50/1186626350.db2.gz XGPXVQPVCNSTEV-OALUTQOASA-N 2 1 380.581 0.291 20 0 GCADMP C[C@@H](CNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)CN1CC[NH+](C)CC1 ZINC000074656110 1186626353 /nfs/dbraw/zinc/62/63/53/1186626353.db2.gz XGPXVQPVCNSTEV-OALUTQOASA-N 2 1 380.581 0.291 20 0 GCADMP Cn1cc([C@@H]2C[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2CO)cn1 ZINC000277843398 1186632914 /nfs/dbraw/zinc/63/29/14/1186632914.db2.gz SHQYANANJJVHCF-UFYCRDLUSA-N 2 1 385.512 0.847 20 0 GCADMP Cn1cc([C@@H]2C[N@@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C[C@H]2CO)cn1 ZINC000277843398 1186632921 /nfs/dbraw/zinc/63/29/21/1186632921.db2.gz SHQYANANJJVHCF-UFYCRDLUSA-N 2 1 385.512 0.847 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCN1CCOC ZINC000582740177 1186648856 /nfs/dbraw/zinc/64/88/56/1186648856.db2.gz HZUYDZPAAZTTGJ-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000582740177 1186648956 /nfs/dbraw/zinc/64/89/56/1186648956.db2.gz HZUYDZPAAZTTGJ-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000582740177 1186649014 /nfs/dbraw/zinc/64/90/14/1186649014.db2.gz HZUYDZPAAZTTGJ-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740177 1186649048 /nfs/dbraw/zinc/64/90/48/1186649048.db2.gz HZUYDZPAAZTTGJ-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740177 1186649088 /nfs/dbraw/zinc/64/90/88/1186649088.db2.gz HZUYDZPAAZTTGJ-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642921699 1186684655 /nfs/dbraw/zinc/68/46/55/1186684655.db2.gz RQRXLNHLWSMTBA-MOPGFXCFSA-N 2 1 387.528 0.430 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642921699 1186684658 /nfs/dbraw/zinc/68/46/58/1186684658.db2.gz RQRXLNHLWSMTBA-MOPGFXCFSA-N 2 1 387.528 0.430 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC000582986290 1186742081 /nfs/dbraw/zinc/74/20/81/1186742081.db2.gz OITMGISARJBNGY-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCCO1 ZINC000582986290 1186742083 /nfs/dbraw/zinc/74/20/83/1186742083.db2.gz OITMGISARJBNGY-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCCO1 ZINC000582986290 1186742085 /nfs/dbraw/zinc/74/20/85/1186742085.db2.gz OITMGISARJBNGY-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP O=C(C[C@H]1CSCC[NH2+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000238085017 1186757965 /nfs/dbraw/zinc/75/79/65/1186757965.db2.gz ZEXOIJDZUWBAEC-KRWDZBQOSA-N 2 1 376.526 0.542 20 0 GCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000126163373 1186760273 /nfs/dbraw/zinc/76/02/73/1186760273.db2.gz KRGPAXNYJASPPG-OWCLPIDISA-N 2 1 378.521 0.866 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000583095962 1186768959 /nfs/dbraw/zinc/76/89/59/1186768959.db2.gz XAKMZKQUCHJCAE-ZBFHGGJFSA-N 2 1 386.431 0.773 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)ccn(C)c1=O ZINC000124590317 1186798951 /nfs/dbraw/zinc/79/89/51/1186798951.db2.gz OTDAKDYULOXHOT-MRXNPFEDSA-N 2 1 391.516 0.507 20 0 GCADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1S(N)(=O)=O ZINC000563622419 1186820591 /nfs/dbraw/zinc/82/05/91/1186820591.db2.gz HAXTTYAJOYFXNM-GJZGRUSLSA-N 2 1 380.514 0.902 20 0 GCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCC(=O)NC(=O)NCC(F)(F)F)C2)CC1 ZINC000155669202 1186821888 /nfs/dbraw/zinc/82/18/88/1186821888.db2.gz IRMMSPKMFVBZJK-ZDUSSCGKSA-N 2 1 379.427 0.476 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583324730 1186825490 /nfs/dbraw/zinc/82/54/90/1186825490.db2.gz IRVMAHPUENWSRT-WDYCEAGBSA-N 2 1 376.501 0.492 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583324730 1186825493 /nfs/dbraw/zinc/82/54/93/1186825493.db2.gz IRVMAHPUENWSRT-WDYCEAGBSA-N 2 1 376.501 0.492 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583320448 1186826331 /nfs/dbraw/zinc/82/63/31/1186826331.db2.gz UWZPLGRIVNATDL-UHOSZYNNSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583320448 1186826336 /nfs/dbraw/zinc/82/63/36/1186826336.db2.gz UWZPLGRIVNATDL-UHOSZYNNSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125427 1186835721 /nfs/dbraw/zinc/83/57/21/1186835721.db2.gz MNTBAZAYHDWNRM-LNLFQRSKSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000685125427 1186835726 /nfs/dbraw/zinc/83/57/26/1186835726.db2.gz MNTBAZAYHDWNRM-LNLFQRSKSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000685125427 1186835731 /nfs/dbraw/zinc/83/57/31/1186835731.db2.gz MNTBAZAYHDWNRM-LNLFQRSKSA-N 2 1 390.528 0.849 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000685125427 1186835733 /nfs/dbraw/zinc/83/57/33/1186835733.db2.gz MNTBAZAYHDWNRM-LNLFQRSKSA-N 2 1 390.528 0.849 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000583441007 1186855788 /nfs/dbraw/zinc/85/57/88/1186855788.db2.gz IGUARVYXQAAGCK-SFHVURJKSA-N 2 1 388.512 0.640 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]1CCCO)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000458562818 1186872265 /nfs/dbraw/zinc/87/22/65/1186872265.db2.gz YLIALROZAZGRGB-IPMKNSEASA-N 2 1 382.549 0.900 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621688 1186902377 /nfs/dbraw/zinc/90/23/77/1186902377.db2.gz VWDUMCHJLRBYJR-IAGOWNOFSA-N 2 1 395.935 0.421 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329375949 1186927000 /nfs/dbraw/zinc/92/70/00/1186927000.db2.gz OBGQQWLXOBDNMF-OALUTQOASA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778183 1186937116 /nfs/dbraw/zinc/93/71/16/1186937116.db2.gz GIQUVWUSUZAREV-VQIMIIECSA-N 2 1 391.560 0.071 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778181 1186937460 /nfs/dbraw/zinc/93/74/60/1186937460.db2.gz GIQUVWUSUZAREV-LPHOPBHVSA-N 2 1 391.560 0.071 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000329430553 1186937994 /nfs/dbraw/zinc/93/79/94/1186937994.db2.gz HOWGEVZIEBGUKM-IBGZPJMESA-N 2 1 392.544 0.787 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000583919282 1186961345 /nfs/dbraw/zinc/96/13/45/1186961345.db2.gz BOPWOQQBYIMBBA-HNNXBMFYSA-N 2 1 386.496 0.983 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)NC(N)=O)C2)CC[N@H+]1C ZINC001211603789 1186968495 /nfs/dbraw/zinc/96/84/95/1186968495.db2.gz SJZVNFFQPSJGRA-MXASKKJJSA-N 2 1 387.484 0.106 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000583986645 1186972947 /nfs/dbraw/zinc/97/29/47/1186972947.db2.gz CSSGVARTISZZCC-KRWDZBQOSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276383 1187017820 /nfs/dbraw/zinc/01/78/20/1187017820.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276383 1187017829 /nfs/dbraw/zinc/01/78/29/1187017829.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276383 1187017836 /nfs/dbraw/zinc/01/78/36/1187017836.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276383 1187017843 /nfs/dbraw/zinc/01/78/43/1187017843.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276383 1187017848 /nfs/dbraw/zinc/01/78/48/1187017848.db2.gz OABCXHMBRWRYND-GJYPPUQNSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000584306252 1187029351 /nfs/dbraw/zinc/02/93/51/1187029351.db2.gz YZRIDRJIUKVBSX-LPHOPBHVSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000584306252 1187029354 /nfs/dbraw/zinc/02/93/54/1187029354.db2.gz YZRIDRJIUKVBSX-LPHOPBHVSA-N 2 1 388.512 0.734 20 0 GCADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000413536369 1187057368 /nfs/dbraw/zinc/05/73/68/1187057368.db2.gz GMQIEIJZHMOPOS-SFHVURJKSA-N 2 1 381.565 0.957 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCC[C@H](C)C1 ZINC000375748618 1187058886 /nfs/dbraw/zinc/05/88/86/1187058886.db2.gz IPLWKQYLPCLQHN-JKSUJKDBSA-N 2 1 390.532 1.325 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304091 1187059582 /nfs/dbraw/zinc/05/95/82/1187059582.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304091 1187059587 /nfs/dbraw/zinc/05/95/87/1187059587.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304091 1187059592 /nfs/dbraw/zinc/05/95/92/1187059592.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685304091 1187059599 /nfs/dbraw/zinc/05/95/99/1187059599.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685304091 1187059607 /nfs/dbraw/zinc/05/96/07/1187059607.db2.gz YTTCXDTVVRBKEW-LZQZEXGQSA-N 3 1 391.560 0.212 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657870159 1187079772 /nfs/dbraw/zinc/07/97/72/1187079772.db2.gz FAOQFNHETOGTRZ-UHFFFAOYSA-N 2 1 390.532 0.072 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1)CC[NH+](C)C ZINC000657870159 1187079778 /nfs/dbraw/zinc/07/97/78/1187079778.db2.gz FAOQFNHETOGTRZ-UHFFFAOYSA-N 2 1 390.532 0.072 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336841 1187101403 /nfs/dbraw/zinc/10/14/03/1187101403.db2.gz RKEWBCOLOJCKEP-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336841 1187101405 /nfs/dbraw/zinc/10/14/05/1187101405.db2.gz RKEWBCOLOJCKEP-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336841 1187101407 /nfs/dbraw/zinc/10/14/07/1187101407.db2.gz RKEWBCOLOJCKEP-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336841 1187101411 /nfs/dbraw/zinc/10/14/11/1187101411.db2.gz RKEWBCOLOJCKEP-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000685338137 1187107285 /nfs/dbraw/zinc/10/72/85/1187107285.db2.gz AZQONMBUGKFLKL-YJBOKZPZSA-N 2 1 376.501 0.242 20 0 GCADMP C[C@H](NC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685338137 1187107288 /nfs/dbraw/zinc/10/72/88/1187107288.db2.gz AZQONMBUGKFLKL-YJBOKZPZSA-N 2 1 376.501 0.242 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@H+](C)CCO1 ZINC000685342082 1187107953 /nfs/dbraw/zinc/10/79/53/1187107953.db2.gz VYQHBSXMANTQIW-MAUKXSAKSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccccc1F)[C@H]1C[N@@H+](C)CCO1 ZINC000685342082 1187107958 /nfs/dbraw/zinc/10/79/58/1187107958.db2.gz VYQHBSXMANTQIW-MAUKXSAKSA-N 2 1 394.491 0.551 20 0 GCADMP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685342905 1187108860 /nfs/dbraw/zinc/10/88/60/1187108860.db2.gz OWESYPQZNNWNBQ-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685342905 1187108864 /nfs/dbraw/zinc/10/88/64/1187108864.db2.gz OWESYPQZNNWNBQ-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685342905 1187108868 /nfs/dbraw/zinc/10/88/68/1187108868.db2.gz OWESYPQZNNWNBQ-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685342905 1187108870 /nfs/dbraw/zinc/10/88/70/1187108870.db2.gz OWESYPQZNNWNBQ-AEFFLSMTSA-N 2 1 382.549 0.792 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343651 1187109021 /nfs/dbraw/zinc/10/90/21/1187109021.db2.gz XWZVKWBYUIKCKA-RYQLBKOJSA-N 2 1 382.549 0.839 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1)[NH+]1CCCC1 ZINC000685343651 1187109027 /nfs/dbraw/zinc/10/90/27/1187109027.db2.gz XWZVKWBYUIKCKA-RYQLBKOJSA-N 2 1 382.549 0.839 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000584460296 1187161519 /nfs/dbraw/zinc/16/15/19/1187161519.db2.gz VYJNIPDMNVBEAN-IRXDYDNUSA-N 2 1 398.548 0.219 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000584460295 1187161596 /nfs/dbraw/zinc/16/15/96/1187161596.db2.gz VYJNIPDMNVBEAN-IAGOWNOFSA-N 2 1 398.548 0.219 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2O)CC[N@H+]1C ZINC001023978673 1187208990 /nfs/dbraw/zinc/20/89/90/1187208990.db2.gz FISMYNJVNLWCTF-AAJLLMFJSA-N 2 1 389.500 0.179 20 0 GCADMP CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000685673775 1187218192 /nfs/dbraw/zinc/21/81/92/1187218192.db2.gz WHMIEHHVRVEGOR-MRXNPFEDSA-N 2 1 375.477 0.880 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)O1 ZINC000972855075 1187280466 /nfs/dbraw/zinc/28/04/66/1187280466.db2.gz KMDCONPAUHUHJE-NCXUSEDFSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)O1 ZINC000972855075 1187280472 /nfs/dbraw/zinc/28/04/72/1187280472.db2.gz KMDCONPAUHUHJE-NCXUSEDFSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@H](CCNC(=O)C(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000658424048 1187294492 /nfs/dbraw/zinc/29/44/92/1187294492.db2.gz YLHNSFIUIMINEO-OAHLLOKOSA-N 2 1 389.500 0.469 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(-c2nc[nH]n2)no1 ZINC000548896830 1187371204 /nfs/dbraw/zinc/37/12/04/1187371204.db2.gz DQRWXWDYQCMRIU-CQSZACIVSA-N 2 1 390.492 0.662 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612221985 1187410668 /nfs/dbraw/zinc/41/06/68/1187410668.db2.gz XVRUUOXOOXOLBJ-IBGZPJMESA-N 2 1 387.528 0.962 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CCOC ZINC000658694213 1187413506 /nfs/dbraw/zinc/41/35/06/1187413506.db2.gz CHMUPYKRMAGIEN-DLBZAZTESA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC[N@H+]1CCOC ZINC000658694213 1187413508 /nfs/dbraw/zinc/41/35/08/1187413508.db2.gz CHMUPYKRMAGIEN-DLBZAZTESA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694213 1187413512 /nfs/dbraw/zinc/41/35/12/1187413512.db2.gz CHMUPYKRMAGIEN-DLBZAZTESA-N 2 1 382.549 0.935 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC[NH+]1CCOC ZINC000658694213 1187413515 /nfs/dbraw/zinc/41/35/15/1187413515.db2.gz CHMUPYKRMAGIEN-DLBZAZTESA-N 2 1 382.549 0.935 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375800513 1187421874 /nfs/dbraw/zinc/42/18/74/1187421874.db2.gz BGJDDYXIXRAPNN-SJORKVTESA-N 2 1 382.505 0.520 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375800513 1187421877 /nfs/dbraw/zinc/42/18/77/1187421877.db2.gz BGJDDYXIXRAPNN-SJORKVTESA-N 2 1 382.505 0.520 20 0 GCADMP C[N@@H+](CCCCNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000413597771 1187424226 /nfs/dbraw/zinc/42/42/26/1187424226.db2.gz BADOPYKFBCNAIS-UHFFFAOYSA-N 2 1 381.565 0.957 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000636036439 1187433011 /nfs/dbraw/zinc/43/30/11/1187433011.db2.gz IVEVBVKZUTVTGO-IRXDYDNUSA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000636036439 1187433012 /nfs/dbraw/zinc/43/30/12/1187433012.db2.gz IVEVBVKZUTVTGO-IRXDYDNUSA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000636036439 1187433014 /nfs/dbraw/zinc/43/30/14/1187433014.db2.gz IVEVBVKZUTVTGO-IRXDYDNUSA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 ZINC000685761788 1187452023 /nfs/dbraw/zinc/45/20/23/1187452023.db2.gz BLHLCWXBNJAYMP-KRWDZBQOSA-N 2 1 391.516 0.590 20 0 GCADMP C[C@@H](NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000569960257 1187487592 /nfs/dbraw/zinc/48/75/92/1187487592.db2.gz JVATUAQVDDURIC-SJLPKXTDSA-N 2 1 376.501 0.460 20 0 GCADMP C[C@@H](NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)NCC[NH+](C)C ZINC000569960257 1187487597 /nfs/dbraw/zinc/48/75/97/1187487597.db2.gz JVATUAQVDDURIC-SJLPKXTDSA-N 2 1 376.501 0.460 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612442990 1187491756 /nfs/dbraw/zinc/49/17/56/1187491756.db2.gz BATMPEWWXPLESY-ROUUACIJSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000612442990 1187491759 /nfs/dbraw/zinc/49/17/59/1187491759.db2.gz BATMPEWWXPLESY-ROUUACIJSA-N 2 1 392.544 0.690 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484973 1187505444 /nfs/dbraw/zinc/50/54/44/1187505444.db2.gz JULIZUAPLNIAAF-MOPGFXCFSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000612485091 1187505563 /nfs/dbraw/zinc/50/55/63/1187505563.db2.gz KINMOFDMGVYVPX-GOSISDBHSA-N 2 1 395.592 0.707 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000612485091 1187505565 /nfs/dbraw/zinc/50/55/65/1187505565.db2.gz KINMOFDMGVYVPX-GOSISDBHSA-N 2 1 395.592 0.707 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000413786556 1187510366 /nfs/dbraw/zinc/51/03/66/1187510366.db2.gz QPEOXKXPKNMZGR-SFHLNBCPSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000413786556 1187510368 /nfs/dbraw/zinc/51/03/68/1187510368.db2.gz QPEOXKXPKNMZGR-SFHLNBCPSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000413786556 1187510371 /nfs/dbraw/zinc/51/03/71/1187510371.db2.gz QPEOXKXPKNMZGR-SFHLNBCPSA-N 2 1 390.528 0.889 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000612548658 1187521270 /nfs/dbraw/zinc/52/12/70/1187521270.db2.gz PLBHYDAWUCYMMH-QRVBRYPASA-N 2 1 393.576 0.604 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597771 1187535502 /nfs/dbraw/zinc/53/55/02/1187535502.db2.gz NAGZHZCTBZKZHI-CGTJXYLNSA-N 2 1 378.517 0.299 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612596724 1187537399 /nfs/dbraw/zinc/53/73/99/1187537399.db2.gz SJKGQPKZACHCGX-WMZOPIPTSA-N 2 1 380.533 0.546 20 0 GCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612604692 1187540928 /nfs/dbraw/zinc/54/09/28/1187540928.db2.gz UGXICAIJLLNIDP-KRWDZBQOSA-N 2 1 380.533 0.689 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cccc4nccn43)C2)CC[N@H+]1C ZINC001024626663 1187548292 /nfs/dbraw/zinc/54/82/92/1187548292.db2.gz OILAQMBDDYTVDI-KLZNWCGWSA-N 2 1 385.468 0.366 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)C2)CC1 ZINC000570234552 1187551660 /nfs/dbraw/zinc/55/16/60/1187551660.db2.gz ZFKSUYBHVSZCDP-SJLPKXTDSA-N 2 1 379.549 0.212 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000658821213 1187553599 /nfs/dbraw/zinc/55/35/99/1187553599.db2.gz KDECBVSFKPRFIS-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000658821213 1187553603 /nfs/dbraw/zinc/55/36/03/1187553603.db2.gz KDECBVSFKPRFIS-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000658821213 1187553611 /nfs/dbraw/zinc/55/36/11/1187553611.db2.gz KDECBVSFKPRFIS-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CC)[C@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000658821213 1187553614 /nfs/dbraw/zinc/55/36/14/1187553614.db2.gz KDECBVSFKPRFIS-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000670782889 1187568820 /nfs/dbraw/zinc/56/88/20/1187568820.db2.gz OOGCILGPOFSLNR-MRXNPFEDSA-N 2 1 377.533 0.014 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000670782889 1187568825 /nfs/dbraw/zinc/56/88/25/1187568825.db2.gz OOGCILGPOFSLNR-MRXNPFEDSA-N 2 1 377.533 0.014 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612875034 1187609437 /nfs/dbraw/zinc/60/94/37/1187609437.db2.gz JSPBRKFJQJIETC-INIZCTEOSA-N 2 1 386.504 0.913 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000670786434 1187677758 /nfs/dbraw/zinc/67/77/58/1187677758.db2.gz BJBDRTSPFUHFCU-MRXNPFEDSA-N 2 1 388.516 0.002 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000892535127 1187710713 /nfs/dbraw/zinc/71/07/13/1187710713.db2.gz ARAGRJKRNOKAKY-UHOSZYNNSA-N 2 1 376.501 0.953 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000892535127 1187710715 /nfs/dbraw/zinc/71/07/15/1187710715.db2.gz ARAGRJKRNOKAKY-UHOSZYNNSA-N 2 1 376.501 0.953 20 0 GCADMP CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)CC3)CC1 ZINC000332745144 1187760106 /nfs/dbraw/zinc/76/01/06/1187760106.db2.gz FUZIECJTHWECSF-DOTOQJQBSA-N 2 1 388.516 0.044 20 0 GCADMP CN1CCC[C@@H]1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 ZINC000332745144 1187760109 /nfs/dbraw/zinc/76/01/09/1187760109.db2.gz FUZIECJTHWECSF-DOTOQJQBSA-N 2 1 388.516 0.044 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000178179045 1187760214 /nfs/dbraw/zinc/76/02/14/1187760214.db2.gz XYWKTDLBXASQRC-HZPDHXFCSA-N 2 1 376.505 0.637 20 0 GCADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000892581903 1187791576 /nfs/dbraw/zinc/79/15/76/1187791576.db2.gz BLCYVYFJELNFEK-MAUKXSAKSA-N 2 1 379.526 0.987 20 0 GCADMP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892583909 1187794757 /nfs/dbraw/zinc/79/47/57/1187794757.db2.gz FLYAMZDYUAMLBP-RDGPPVDQSA-N 2 1 379.549 0.613 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000376385915 1187804976 /nfs/dbraw/zinc/80/49/76/1187804976.db2.gz SYBZXUAPMYGMDV-HZGVLFEQSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385915 1187804979 /nfs/dbraw/zinc/80/49/79/1187804979.db2.gz SYBZXUAPMYGMDV-HZGVLFEQSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385915 1187804987 /nfs/dbraw/zinc/80/49/87/1187804987.db2.gz SYBZXUAPMYGMDV-HZGVLFEQSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000332906322 1187812680 /nfs/dbraw/zinc/81/26/80/1187812680.db2.gz CHNVMOLPRZSKCZ-NXHRZFHOSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000332906322 1187812682 /nfs/dbraw/zinc/81/26/82/1187812682.db2.gz CHNVMOLPRZSKCZ-NXHRZFHOSA-N 2 1 378.517 0.299 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000658977810 1187829038 /nfs/dbraw/zinc/82/90/38/1187829038.db2.gz HNMNGWDWFUKKQU-GOSISDBHSA-N 2 1 378.517 0.396 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000659110883 1187885253 /nfs/dbraw/zinc/88/52/53/1187885253.db2.gz DKXNCNBQPDFWLY-YOEHRIQHSA-N 2 1 389.500 0.515 20 0 GCADMP C[NH+](C)Cc1cc(NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)ccc1Cl ZINC000659110384 1187887723 /nfs/dbraw/zinc/88/77/23/1187887723.db2.gz FQXWONDKGIOMEX-UHFFFAOYSA-N 2 1 392.847 0.611 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000659113759 1187890099 /nfs/dbraw/zinc/89/00/99/1187890099.db2.gz YBFPDSYVJBTNOH-OAHLLOKOSA-N 2 1 387.484 0.636 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000647567480 1187895041 /nfs/dbraw/zinc/89/50/41/1187895041.db2.gz VZMHUUXRBDQYHF-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[NH+](C)C2)CC[N@H+]1CCOC ZINC000647567480 1187895046 /nfs/dbraw/zinc/89/50/46/1187895046.db2.gz VZMHUUXRBDQYHF-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[N@H+](C)C2)CC[NH+]1CCOC ZINC000647567480 1187895076 /nfs/dbraw/zinc/89/50/76/1187895076.db2.gz VZMHUUXRBDQYHF-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(CCC)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CCOC ZINC000647567480 1187895079 /nfs/dbraw/zinc/89/50/79/1187895079.db2.gz VZMHUUXRBDQYHF-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000647594205 1187905335 /nfs/dbraw/zinc/90/53/35/1187905335.db2.gz QIXCWBSIIOZUED-HRCADAONSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000647594205 1187905337 /nfs/dbraw/zinc/90/53/37/1187905337.db2.gz QIXCWBSIIOZUED-HRCADAONSA-N 2 1 376.501 0.766 20 0 GCADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000531151311 1187914244 /nfs/dbraw/zinc/91/42/44/1187914244.db2.gz VELLPTYOLMWGNP-KSZLIROESA-N 2 1 380.533 0.689 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423498016 1187915677 /nfs/dbraw/zinc/91/56/77/1187915677.db2.gz AWZCDMCSUMUZDW-ZWKOTPCHSA-N 2 1 381.565 0.460 20 0 GCADMP CN(C(=O)c1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000659287827 1187924921 /nfs/dbraw/zinc/92/49/21/1187924921.db2.gz UUDCICGRKJIQSY-MRXNPFEDSA-N 2 1 385.472 0.655 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344784 1187946579 /nfs/dbraw/zinc/94/65/79/1187946579.db2.gz KQXDZUBIZRMBLL-OALUTQOASA-N 2 1 391.560 0.310 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344784 1187946581 /nfs/dbraw/zinc/94/65/81/1187946581.db2.gz KQXDZUBIZRMBLL-OALUTQOASA-N 2 1 391.560 0.310 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659456774 1187960977 /nfs/dbraw/zinc/96/09/77/1187960977.db2.gz SFEOXTMQCKFJNG-VQTJNVASSA-N 2 1 393.576 0.814 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551595 1187971052 /nfs/dbraw/zinc/97/10/52/1187971052.db2.gz WXQJLBNNXCYPCI-MOPGFXCFSA-N 2 1 375.517 0.480 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659551595 1187971053 /nfs/dbraw/zinc/97/10/53/1187971053.db2.gz WXQJLBNNXCYPCI-MOPGFXCFSA-N 2 1 375.517 0.480 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)C[C@H]2[NH3+])cn1 ZINC000659608512 1187975423 /nfs/dbraw/zinc/97/54/23/1187975423.db2.gz ORHWNFNYPQHGND-BSDSXHPESA-N 2 1 388.516 0.500 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000659610222 1187976365 /nfs/dbraw/zinc/97/63/65/1187976365.db2.gz MYBUQROPNAFOHT-RCCFBDPRSA-N 2 1 377.533 0.319 20 0 GCADMP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000659627273 1187977309 /nfs/dbraw/zinc/97/73/09/1187977309.db2.gz USKWDIQNYYGPDJ-RBUKOAKNSA-N 2 1 375.517 0.562 20 0 GCADMP C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000659627273 1187977311 /nfs/dbraw/zinc/97/73/11/1187977311.db2.gz USKWDIQNYYGPDJ-RBUKOAKNSA-N 2 1 375.517 0.562 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@H](C[NH3+])C1 ZINC000659676522 1187994309 /nfs/dbraw/zinc/99/43/09/1187994309.db2.gz HCWFHYKTAOWRJF-AYOQOUSVSA-N 2 1 388.512 0.455 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000659686288 1187996818 /nfs/dbraw/zinc/99/68/18/1187996818.db2.gz YMESMTCHIGWOMF-HNNXBMFYSA-N 2 1 395.935 0.692 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659688205 1187998313 /nfs/dbraw/zinc/99/83/13/1187998313.db2.gz UYCSQMLOWJOMBW-KRWDZBQOSA-N 2 1 376.501 0.589 20 0 GCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683459 1187998630 /nfs/dbraw/zinc/99/86/30/1187998630.db2.gz ZCVZCWZGHNDAQB-DZGCQCFKSA-N 2 1 398.467 0.209 20 0 GCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659683462 1187998733 /nfs/dbraw/zinc/99/87/33/1187998733.db2.gz ZCVZCWZGHNDAQB-ZFWWWQNUSA-N 2 1 398.467 0.209 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000659691216 1188000043 /nfs/dbraw/zinc/00/00/43/1188000043.db2.gz VTEPQCSDXMTZJN-HNNXBMFYSA-N 2 1 398.467 0.038 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659698808 1188003981 /nfs/dbraw/zinc/00/39/81/1188003981.db2.gz MXZNZXLUOAHHHS-DOTOQJQBSA-N 2 1 376.501 0.588 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659698808 1188003985 /nfs/dbraw/zinc/00/39/85/1188003985.db2.gz MXZNZXLUOAHHHS-DOTOQJQBSA-N 2 1 376.501 0.588 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659698793 1188004049 /nfs/dbraw/zinc/00/40/49/1188004049.db2.gz MKMJMVBFVFASLR-CYBMUJFWSA-N 2 1 378.477 0.028 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000415353154 1188058287 /nfs/dbraw/zinc/05/82/87/1188058287.db2.gz MAJLZKCXJVVMFQ-HNNXBMFYSA-N 2 1 387.484 0.918 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CC[NH+](CC)CC2)cc1 ZINC000415364492 1188059855 /nfs/dbraw/zinc/05/98/55/1188059855.db2.gz HIGSFEHQMCAZAA-UHFFFAOYSA-N 2 1 389.500 0.057 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@@H+]1CCO ZINC000659133562 1188069588 /nfs/dbraw/zinc/06/95/88/1188069588.db2.gz PONSMUHUPCGAEB-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)CC[N@H+]1CCO ZINC000659133562 1188069591 /nfs/dbraw/zinc/06/95/91/1188069591.db2.gz PONSMUHUPCGAEB-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH+]1CCO ZINC000659133562 1188069593 /nfs/dbraw/zinc/06/95/93/1188069593.db2.gz PONSMUHUPCGAEB-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC[NH+]1CCO ZINC000659133562 1188069596 /nfs/dbraw/zinc/06/95/96/1188069596.db2.gz PONSMUHUPCGAEB-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP CC(=O)c1cn(C2CN(C(=O)N[C@H]3CC[N@H+](C4CCN(C)CC4)C3)C2)nn1 ZINC000893023906 1188105959 /nfs/dbraw/zinc/10/59/59/1188105959.db2.gz ROWNXJAFYVSRPC-AWEZNQCLSA-N 2 1 375.477 0.216 20 0 GCADMP CC(=O)c1cn(C2CN(C(=O)N[C@H]3CCN(C4CC[NH+](C)CC4)C3)C2)nn1 ZINC000893023906 1188105962 /nfs/dbraw/zinc/10/59/62/1188105962.db2.gz ROWNXJAFYVSRPC-AWEZNQCLSA-N 2 1 375.477 0.216 20 0 GCADMP CC[NH+](CC)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000893052975 1188121590 /nfs/dbraw/zinc/12/15/90/1188121590.db2.gz IZQFVIRWOUCBBH-RTBURBONSA-N 2 1 381.565 0.766 20 0 GCADMP Cc1cc(NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn2cc[nH+]c12 ZINC000415688982 1188141466 /nfs/dbraw/zinc/14/14/66/1188141466.db2.gz JAQUFLBJJFFKJH-ZDUSSCGKSA-N 2 1 398.389 0.534 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415740304 1188154998 /nfs/dbraw/zinc/15/49/98/1188154998.db2.gz GVGCWOYFQBYZKM-QZTJIDSGSA-N 2 1 386.496 0.568 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000415740303 1188155024 /nfs/dbraw/zinc/15/50/24/1188155024.db2.gz GVGCWOYFQBYZKM-MSOLQXFVSA-N 2 1 386.496 0.568 20 0 GCADMP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415781043 1188163689 /nfs/dbraw/zinc/16/36/89/1188163689.db2.gz DSVCLDGWTZTRQS-MRXNPFEDSA-N 2 1 387.484 0.766 20 0 GCADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C1 ZINC000415854946 1189382914 /nfs/dbraw/zinc/38/29/14/1189382914.db2.gz NTPTZJINQIAIHJ-VQIMIIECSA-N 2 1 387.528 0.877 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000415903089 1189401552 /nfs/dbraw/zinc/40/15/52/1189401552.db2.gz YRGGCSVPMIKATP-ROUUACIJSA-N 2 1 386.496 0.568 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc2n(c1=O)CCCC2 ZINC000651222398 1189405370 /nfs/dbraw/zinc/40/53/70/1189405370.db2.gz XBEVMNYOGBLZFU-MRXNPFEDSA-N 2 1 378.521 0.256 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)Nc3cnc(N4CC[NH2+]CC4)nc3)CC2)c1 ZINC000415959447 1189409839 /nfs/dbraw/zinc/40/98/39/1189409839.db2.gz ZGUFULFHFUGZJM-UHFFFAOYSA-N 2 1 382.472 0.944 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000416031649 1189416640 /nfs/dbraw/zinc/41/66/40/1189416640.db2.gz UBFZAHIYURSIKI-KRWDZBQOSA-N 2 1 391.516 0.501 20 0 GCADMP C[C@@H](O)c1cn(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1 ZINC000378148910 1189425919 /nfs/dbraw/zinc/42/59/19/1189425919.db2.gz KPWJOPLAFLYAOS-MRXNPFEDSA-N 2 1 392.548 0.986 20 0 GCADMP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCCC[C@H]2[NH+]2CCOCC2)CC1 ZINC000378154339 1189430781 /nfs/dbraw/zinc/43/07/81/1189430781.db2.gz XHOBCGSQOTYKAE-RBUKOAKNSA-N 2 1 381.565 0.955 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322345 1189433906 /nfs/dbraw/zinc/43/39/06/1189433906.db2.gz NSVOVGYTWHUJLH-WMZOPIPTSA-N 2 1 392.475 0.201 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)CC1 ZINC000651322345 1189433908 /nfs/dbraw/zinc/43/39/08/1189433908.db2.gz NSVOVGYTWHUJLH-WMZOPIPTSA-N 2 1 392.475 0.201 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000472946214 1189449011 /nfs/dbraw/zinc/44/90/11/1189449011.db2.gz BVNGIFOTHBGCRT-KRWDZBQOSA-N 2 1 383.537 0.293 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893238606 1189508275 /nfs/dbraw/zinc/50/82/75/1189508275.db2.gz OADWDJSHXCYOQL-GUDVDZBRSA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238606 1189508278 /nfs/dbraw/zinc/50/82/78/1189508278.db2.gz OADWDJSHXCYOQL-GUDVDZBRSA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893238606 1189508280 /nfs/dbraw/zinc/50/82/80/1189508280.db2.gz OADWDJSHXCYOQL-GUDVDZBRSA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000472996399 1189530401 /nfs/dbraw/zinc/53/04/01/1189530401.db2.gz BWQZABWQVLHXOV-SFHVURJKSA-N 2 1 397.564 0.681 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000511571525 1189559325 /nfs/dbraw/zinc/55/93/25/1189559325.db2.gz HCQAYJJWTXTCDH-HKUYNNGSSA-N 2 1 390.528 0.660 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000416878604 1189590881 /nfs/dbraw/zinc/59/08/81/1189590881.db2.gz XSIFAKACAPZSPZ-HUUCEWRRSA-N 2 1 395.470 0.479 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000416881066 1189591317 /nfs/dbraw/zinc/59/13/17/1189591317.db2.gz ZVEAJXXWJONHQE-SJORKVTESA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416924000 1189594598 /nfs/dbraw/zinc/59/45/98/1189594598.db2.gz QNOAMJMVVDNRCG-XHSDSOJGSA-N 2 1 383.537 0.371 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416924000 1189594602 /nfs/dbraw/zinc/59/46/02/1189594602.db2.gz QNOAMJMVVDNRCG-XHSDSOJGSA-N 2 1 383.537 0.371 20 0 GCADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCOCC1 ZINC000416934036 1189594720 /nfs/dbraw/zinc/59/47/20/1189594720.db2.gz CLCDLFNJVIDRRI-QZTJIDSGSA-N 2 1 393.536 0.830 20 0 GCADMP CC(C)C[C@@H](CNC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCOCC1 ZINC000416934037 1189594950 /nfs/dbraw/zinc/59/49/50/1189594950.db2.gz CLCDLFNJVIDRRI-ROUUACIJSA-N 2 1 393.536 0.830 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416944187 1189596863 /nfs/dbraw/zinc/59/68/63/1189596863.db2.gz MJAQTFOJXRZTDI-GFIVTLFCSA-N 2 1 395.548 0.432 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416946799 1189599136 /nfs/dbraw/zinc/59/91/36/1189599136.db2.gz IUKOKXSIUUMLDB-SJORKVTESA-N 2 1 375.521 0.758 20 0 GCADMP COC[C@@]1(CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CCC[NH2+]1 ZINC000416950378 1189600373 /nfs/dbraw/zinc/60/03/73/1189600373.db2.gz MGKYRDKVIULWHP-IBGZPJMESA-N 2 1 391.520 0.057 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416963483 1189600793 /nfs/dbraw/zinc/60/07/93/1189600793.db2.gz ZGCZPEHBDFEMMB-IRXDYDNUSA-N 2 1 375.521 0.805 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000416960746 1189601010 /nfs/dbraw/zinc/60/10/10/1189601010.db2.gz WGXXARTUHAKWKO-KZNAEPCWSA-N 2 1 387.532 0.758 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417012086 1189607180 /nfs/dbraw/zinc/60/71/80/1189607180.db2.gz VLSRQAMZZVHGNY-CTNGQTDRSA-N 2 1 399.539 0.991 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@@H](c2ccccc2)C1 ZINC000417022151 1189608710 /nfs/dbraw/zinc/60/87/10/1189608710.db2.gz NXFPCMVIBZQFTN-VQTJNVASSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000417022151 1189608715 /nfs/dbraw/zinc/60/87/15/1189608715.db2.gz NXFPCMVIBZQFTN-VQTJNVASSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000417022151 1189608717 /nfs/dbraw/zinc/60/87/17/1189608717.db2.gz NXFPCMVIBZQFTN-VQTJNVASSA-N 2 1 388.560 0.568 20 0 GCADMP Cc1ccc(NCCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])[nH+]c1 ZINC000417061328 1189613013 /nfs/dbraw/zinc/61/30/13/1189613013.db2.gz KZBQHTLIFJJFGG-MRXNPFEDSA-N 2 1 376.505 1.221 20 0 GCADMP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000930742588 1189619050 /nfs/dbraw/zinc/61/90/50/1189619050.db2.gz IJCPEEWIFVBXPR-DLBZAZTESA-N 2 1 380.558 0.673 20 0 GCADMP O=C(NCC1CC[NH+](C2CC2)CC1)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000930742588 1189619057 /nfs/dbraw/zinc/61/90/57/1189619057.db2.gz IJCPEEWIFVBXPR-DLBZAZTESA-N 2 1 380.558 0.673 20 0 GCADMP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000563057032 1189626096 /nfs/dbraw/zinc/62/60/96/1189626096.db2.gz RENDXJJDFNTBNC-GOSISDBHSA-N 2 1 391.491 0.322 20 0 GCADMP CC[NH2+]CCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417166308 1189627045 /nfs/dbraw/zinc/62/70/45/1189627045.db2.gz UFWSQUSIRBJKBF-UHFFFAOYSA-N 2 1 377.489 0.756 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000584736701 1189643594 /nfs/dbraw/zinc/64/35/94/1189643594.db2.gz CGWRKKAAUVTUHH-RBUKOAKNSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000584736701 1189643604 /nfs/dbraw/zinc/64/36/04/1189643604.db2.gz CGWRKKAAUVTUHH-RBUKOAKNSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000584736701 1189643612 /nfs/dbraw/zinc/64/36/12/1189643612.db2.gz CGWRKKAAUVTUHH-RBUKOAKNSA-N 2 1 388.512 0.462 20 0 GCADMP CO[C@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C[NH3+])C1 ZINC000417371540 1189654544 /nfs/dbraw/zinc/65/45/44/1189654544.db2.gz WKCOOOHSQIDJLE-MOPGFXCFSA-N 2 1 390.532 0.741 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(C4CCOCC4)CC3)CC[C@@H]21 ZINC000660207988 1189659520 /nfs/dbraw/zinc/65/95/20/1189659520.db2.gz MZIGMVUIYDLCKR-WMZOPIPTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@@H]21 ZINC000660207988 1189659522 /nfs/dbraw/zinc/65/95/22/1189659522.db2.gz MZIGMVUIYDLCKR-WMZOPIPTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](C4CCOCC4)CC3)CC[C@@H]21 ZINC000660207988 1189659525 /nfs/dbraw/zinc/65/95/25/1189659525.db2.gz MZIGMVUIYDLCKR-WMZOPIPTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@@H]21 ZINC000584825490 1189682544 /nfs/dbraw/zinc/68/25/44/1189682544.db2.gz AXDRPHZHRDKRSS-MOPGFXCFSA-N 2 1 392.544 0.500 20 0 GCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417558431 1189683057 /nfs/dbraw/zinc/68/30/57/1189683057.db2.gz FMBYTEKFDGTQMF-OCCSQVGLSA-N 2 1 376.427 0.963 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)N2CC[NH+](C)CC2)C1 ZINC000584852931 1189693173 /nfs/dbraw/zinc/69/31/73/1189693173.db2.gz KLBZBLRCZIOOQP-RBUKOAKNSA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852931 1189693182 /nfs/dbraw/zinc/69/31/82/1189693182.db2.gz KLBZBLRCZIOOQP-RBUKOAKNSA-N 2 1 395.592 0.469 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000584852931 1189693186 /nfs/dbraw/zinc/69/31/86/1189693186.db2.gz KLBZBLRCZIOOQP-RBUKOAKNSA-N 2 1 395.592 0.469 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)[C@@H](C)C1 ZINC000417669830 1189694641 /nfs/dbraw/zinc/69/46/41/1189694641.db2.gz MYIDGXRPVZEWEV-OTWHNJEPSA-N 2 1 381.565 0.813 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN(C[C@H]3CCCO3)CC2)C[C@H]1C ZINC000660260613 1189695077 /nfs/dbraw/zinc/69/50/77/1189695077.db2.gz AGTBDYHUYGCIDI-FGTMMUONSA-N 2 1 380.533 0.641 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[C@H](C)C1 ZINC000417673865 1189695416 /nfs/dbraw/zinc/69/54/16/1189695416.db2.gz XLKCJBRSNBGSSD-QYZOEREBSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417737710 1189700890 /nfs/dbraw/zinc/70/08/90/1189700890.db2.gz DAFJNFROORFJMX-SFHVURJKSA-N 2 1 389.548 0.187 20 0 GCADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)CCC(F)(F)F ZINC000418081609 1189720854 /nfs/dbraw/zinc/72/08/54/1189720854.db2.gz VQQINRVBBDPVOS-ZDUSSCGKSA-N 2 1 381.443 0.757 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCN1CC[NH2+]CC1 ZINC000418296079 1189750487 /nfs/dbraw/zinc/75/04/87/1189750487.db2.gz IXGPCYKGMBTMTF-FQEVSTJZSA-N 2 1 375.517 0.170 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)CCCO1 ZINC000364331910 1189751570 /nfs/dbraw/zinc/75/15/70/1189751570.db2.gz MVFVDFAGNHWICO-ZWKOTPCHSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CCCO1 ZINC000364331910 1189751577 /nfs/dbraw/zinc/75/15/77/1189751577.db2.gz MVFVDFAGNHWICO-ZWKOTPCHSA-N 2 1 395.548 0.435 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)CCCO1 ZINC000364331910 1189751581 /nfs/dbraw/zinc/75/15/81/1189751581.db2.gz MVFVDFAGNHWICO-ZWKOTPCHSA-N 2 1 395.548 0.435 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418297905 1189753137 /nfs/dbraw/zinc/75/31/37/1189753137.db2.gz LIXGMOISUXHFTH-UXHICEINSA-N 2 1 389.544 0.464 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418305583 1189755639 /nfs/dbraw/zinc/75/56/39/1189755639.db2.gz OYPJHTVBIPHODO-UHFFFAOYSA-N 2 1 381.443 0.188 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000364377427 1189773367 /nfs/dbraw/zinc/77/33/67/1189773367.db2.gz PMXDFJVSBXLFMM-KRWDZBQOSA-N 2 1 382.549 0.650 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000364377427 1189773370 /nfs/dbraw/zinc/77/33/70/1189773370.db2.gz PMXDFJVSBXLFMM-KRWDZBQOSA-N 2 1 382.549 0.650 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660403592 1189783660 /nfs/dbraw/zinc/78/36/60/1189783660.db2.gz DENNFCNOHAHMLU-LJQANCHMSA-N 2 1 381.565 0.957 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCN(c4ccccc4C(N)=O)C3)cn2)CC1 ZINC000364399165 1189784731 /nfs/dbraw/zinc/78/47/31/1189784731.db2.gz HMIXZGDBSVCRDI-QGZVFWFLSA-N 2 1 395.511 0.696 20 0 GCADMP COCC[NH2+]CCNC(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418513171 1189809799 /nfs/dbraw/zinc/80/97/99/1189809799.db2.gz UPYVFPVOFHBEBS-IRXDYDNUSA-N 2 1 386.537 0.522 20 0 GCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC[N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000636568560 1189861855 /nfs/dbraw/zinc/86/18/55/1189861855.db2.gz LPFAWERRIGPCJG-FQEVSTJZSA-N 2 1 389.544 0.873 20 0 GCADMP C[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000660535828 1189893906 /nfs/dbraw/zinc/89/39/06/1189893906.db2.gz LFGLFROGVHYQAG-CEXWTWQISA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)CC2)C1 ZINC000660535828 1189893911 /nfs/dbraw/zinc/89/39/11/1189893911.db2.gz LFGLFROGVHYQAG-CEXWTWQISA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)CC2)C1 ZINC000660535828 1189893916 /nfs/dbraw/zinc/89/39/16/1189893916.db2.gz LFGLFROGVHYQAG-CEXWTWQISA-N 2 1 391.560 0.168 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535817 1189894123 /nfs/dbraw/zinc/89/41/23/1189894123.db2.gz KKBYNHVDLUCEJB-SJLPKXTDSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535817 1189894128 /nfs/dbraw/zinc/89/41/28/1189894128.db2.gz KKBYNHVDLUCEJB-SJLPKXTDSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535814 1189894406 /nfs/dbraw/zinc/89/44/06/1189894406.db2.gz KKBYNHVDLUCEJB-AEFFLSMTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535814 1189894411 /nfs/dbraw/zinc/89/44/11/1189894411.db2.gz KKBYNHVDLUCEJB-AEFFLSMTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542654 1189896264 /nfs/dbraw/zinc/89/62/64/1189896264.db2.gz AQRVBYZBDJAJME-RBUKOAKNSA-N 2 1 392.544 0.500 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711768 1189939578 /nfs/dbraw/zinc/93/95/78/1189939578.db2.gz GSBJRGUYBFWSQZ-HKUYNNGSSA-N 2 1 379.549 0.707 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711768 1189939581 /nfs/dbraw/zinc/93/95/81/1189939581.db2.gz GSBJRGUYBFWSQZ-HKUYNNGSSA-N 2 1 379.549 0.707 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660828917 1189955695 /nfs/dbraw/zinc/95/56/95/1189955695.db2.gz CFFQMMLEBFGFGO-IEBWSBKVSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660854744 1189956221 /nfs/dbraw/zinc/95/62/21/1189956221.db2.gz BYZKINLNGYWQFS-QGZVFWFLSA-N 2 1 381.565 0.813 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660852696 1189957447 /nfs/dbraw/zinc/95/74/47/1189957447.db2.gz FVALSLIGIHJREH-QZTJIDSGSA-N 2 1 395.548 0.482 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864876 1189958940 /nfs/dbraw/zinc/95/89/40/1189958940.db2.gz PWLHMVODDHNXQC-RBUKOAKNSA-N 2 1 381.565 0.813 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661176874 1190010545 /nfs/dbraw/zinc/01/05/45/1190010545.db2.gz KWVSDJFRSHOSLG-HDICACEKSA-N 2 1 384.480 0.268 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000661176874 1190010552 /nfs/dbraw/zinc/01/05/52/1190010552.db2.gz KWVSDJFRSHOSLG-HDICACEKSA-N 2 1 384.480 0.268 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662756070 1190019834 /nfs/dbraw/zinc/01/98/34/1190019834.db2.gz HIUNWMYNQIFVOU-OAHLLOKOSA-N 3 1 384.488 0.992 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661277281 1190025659 /nfs/dbraw/zinc/02/56/59/1190025659.db2.gz USLDKQUQMKIVER-MRXNPFEDSA-N 2 1 389.500 0.034 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661277281 1190025661 /nfs/dbraw/zinc/02/56/61/1190025661.db2.gz USLDKQUQMKIVER-MRXNPFEDSA-N 2 1 389.500 0.034 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661305120 1190027892 /nfs/dbraw/zinc/02/78/92/1190027892.db2.gz NJXNELKRNKPWMV-SFHVURJKSA-N 2 1 396.532 0.420 20 0 GCADMP CN(C(=O)C1([NH3+])CC2(CCC2)C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662791964 1190032212 /nfs/dbraw/zinc/03/22/12/1190032212.db2.gz UIGBMZGLPINHKO-UHFFFAOYSA-N 2 1 391.560 0.345 20 0 GCADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000662817247 1190040225 /nfs/dbraw/zinc/04/02/25/1190040225.db2.gz SNSZAEKBFMWKIN-IKGGRYGDSA-N 2 1 393.438 0.711 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](c2ccccc2)C1 ZINC000246500033 1193722042 /nfs/dbraw/zinc/72/20/42/1193722042.db2.gz HMNGMIABUJKYCD-FPOVZHCZSA-N 2 1 391.560 0.977 20 0 GCADMP C[NH+](C)C[C@@](C)(O)CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000246500033 1193722049 /nfs/dbraw/zinc/72/20/49/1193722049.db2.gz HMNGMIABUJKYCD-FPOVZHCZSA-N 2 1 391.560 0.977 20 0 GCADMP CC(C)(CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[NH+]1CCCCC1 ZINC000512676908 1193732318 /nfs/dbraw/zinc/73/23/18/1193732318.db2.gz GLSIODHMJLWQPU-UHFFFAOYSA-N 2 1 383.581 0.940 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419228081 1193735486 /nfs/dbraw/zinc/73/54/86/1193735486.db2.gz GHWOGLDUYSDNAS-HIFRSBDPSA-N 2 1 380.514 0.187 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419228081 1193735488 /nfs/dbraw/zinc/73/54/88/1193735488.db2.gz GHWOGLDUYSDNAS-HIFRSBDPSA-N 2 1 380.514 0.187 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000419228771 1193738442 /nfs/dbraw/zinc/73/84/42/1193738442.db2.gz MRTWVWGMDNQBEX-SJLPKXTDSA-N 2 1 376.501 0.365 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419228768 1193738475 /nfs/dbraw/zinc/73/84/75/1193738475.db2.gz MRMXPRGGLMUJEV-QRQLOZEOSA-N 2 1 388.512 0.589 20 0 GCADMP CN1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+](C)CC1 ZINC000894110404 1193741085 /nfs/dbraw/zinc/74/10/85/1193741085.db2.gz FTWRVXLQFMYFNH-HXUWFJFHSA-N 2 1 389.544 0.642 20 0 GCADMP CN1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+](C)CC1 ZINC000894110404 1193741088 /nfs/dbraw/zinc/74/10/88/1193741088.db2.gz FTWRVXLQFMYFNH-HXUWFJFHSA-N 2 1 389.544 0.642 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000419235505 1193744501 /nfs/dbraw/zinc/74/45/01/1193744501.db2.gz MYUKSKVYFINUIA-IIAWOOMASA-N 2 1 376.526 0.679 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000419235505 1193744504 /nfs/dbraw/zinc/74/45/04/1193744504.db2.gz MYUKSKVYFINUIA-IIAWOOMASA-N 2 1 376.526 0.679 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000419235173 1193746194 /nfs/dbraw/zinc/74/61/94/1193746194.db2.gz MUEKDAYFIAFUIF-KUHUBIRLSA-N 2 1 376.526 0.823 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+]1CCc2sccc2C1 ZINC000419235173 1193746198 /nfs/dbraw/zinc/74/61/98/1193746198.db2.gz MUEKDAYFIAFUIF-KUHUBIRLSA-N 2 1 376.526 0.823 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2sccc2C1 ZINC000419235171 1193746500 /nfs/dbraw/zinc/74/65/00/1193746500.db2.gz MUEKDAYFIAFUIF-AUUYWEPGSA-N 2 1 376.526 0.823 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+]1CCc2sccc2C1 ZINC000419235171 1193746505 /nfs/dbraw/zinc/74/65/05/1193746505.db2.gz MUEKDAYFIAFUIF-AUUYWEPGSA-N 2 1 376.526 0.823 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419236023 1193749937 /nfs/dbraw/zinc/74/99/37/1193749937.db2.gz ZWMVLGNJEFTEMD-VQFNDLOPSA-N 2 1 376.501 0.039 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000419237257 1193750463 /nfs/dbraw/zinc/75/04/63/1193750463.db2.gz OPHQFFNDBKIUTC-VNQPRFMTSA-N 2 1 394.541 0.576 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)[C@H](C[NH3+])C1 ZINC000419237257 1193750465 /nfs/dbraw/zinc/75/04/65/1193750465.db2.gz OPHQFFNDBKIUTC-VNQPRFMTSA-N 2 1 394.541 0.576 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433097982 1193750580 /nfs/dbraw/zinc/75/05/80/1193750580.db2.gz QSEALGIMIGAQFR-SFHVURJKSA-N 2 1 396.557 0.969 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433097982 1193750582 /nfs/dbraw/zinc/75/05/82/1193750582.db2.gz QSEALGIMIGAQFR-SFHVURJKSA-N 2 1 396.557 0.969 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCC12CCC[NH+]1CCC2 ZINC000614226881 1193751806 /nfs/dbraw/zinc/75/18/06/1193751806.db2.gz LBOBOGFGGZIIPH-KRWDZBQOSA-N 2 1 378.517 0.444 20 0 GCADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880162 1193761831 /nfs/dbraw/zinc/76/18/31/1193761831.db2.gz SYLWEVHKTXWWPN-MOPGFXCFSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880162 1193761832 /nfs/dbraw/zinc/76/18/32/1193761832.db2.gz SYLWEVHKTXWWPN-MOPGFXCFSA-N 2 1 394.560 0.938 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419267700 1193775378 /nfs/dbraw/zinc/77/53/78/1193775378.db2.gz KESCWLKRIFSGKH-GOSISDBHSA-N 2 1 376.501 0.769 20 0 GCADMP CC[NH+]1CCN(C(=O)[C@H](C)N2CCC([NH+](CCOC)CCOC)CC2)CC1 ZINC000512812012 1193777824 /nfs/dbraw/zinc/77/78/24/1193777824.db2.gz OGEZTFRPEOCPBB-SFHVURJKSA-N 2 1 384.565 0.598 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419272689 1193778681 /nfs/dbraw/zinc/77/86/81/1193778681.db2.gz VUKGLDCRKGZYNQ-APWZRJJASA-N 2 1 388.512 0.721 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)C[NH+]1CCOCC1 ZINC000419299996 1193793853 /nfs/dbraw/zinc/79/38/53/1193793853.db2.gz KUNLZOOKKNOFIW-QILLFSRXSA-N 2 1 392.475 0.163 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000263227974 1193799924 /nfs/dbraw/zinc/79/99/24/1193799924.db2.gz HCVSXRZSULSNOZ-APWZRJJASA-N 2 1 375.517 0.413 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120751 1193813275 /nfs/dbraw/zinc/81/32/75/1193813275.db2.gz IDRNMTDWCVXEOM-WBVHZDCISA-N 2 1 386.562 0.510 20 0 GCADMP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138446 1193817697 /nfs/dbraw/zinc/81/76/97/1193817697.db2.gz BZBCTXOVISKYOX-QRVBRYPASA-N 2 1 381.565 0.953 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000419326435 1193819978 /nfs/dbraw/zinc/81/99/78/1193819978.db2.gz CHLIJERCQLLYSX-UXHICEINSA-N 2 1 399.539 0.261 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000419336419 1193829874 /nfs/dbraw/zinc/82/98/74/1193829874.db2.gz KHXYJCJUFRVSTA-IBGZPJMESA-N 2 1 387.528 0.294 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000419341658 1193835701 /nfs/dbraw/zinc/83/57/01/1193835701.db2.gz OMWBPDYNUUYCQS-LJQANCHMSA-N 2 1 387.528 0.294 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419346691 1193841171 /nfs/dbraw/zinc/84/11/71/1193841171.db2.gz VSNABJNCAMBVMT-INIZCTEOSA-N 2 1 375.517 0.246 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419353561 1193848469 /nfs/dbraw/zinc/84/84/69/1193848469.db2.gz JVUHEJSLRWHYEG-WMLDXEAASA-N 2 1 398.454 0.221 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)c1cccc(C(=O)NCCn2cc[nH+]c2C)n1 ZINC000052191401 1193862854 /nfs/dbraw/zinc/86/28/54/1193862854.db2.gz FOLKDWZYWZFAEY-UHFFFAOYSA-N 2 1 381.440 0.951 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388319 1193897950 /nfs/dbraw/zinc/89/79/50/1193897950.db2.gz DJRBOPGXLPNSOX-ZWKOTPCHSA-N 2 1 390.553 0.788 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388319 1193897952 /nfs/dbraw/zinc/89/79/52/1193897952.db2.gz DJRBOPGXLPNSOX-ZWKOTPCHSA-N 2 1 390.553 0.788 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388314 1193897956 /nfs/dbraw/zinc/89/79/56/1193897956.db2.gz DJRBOPGXLPNSOX-QZTJIDSGSA-N 2 1 390.553 0.788 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388314 1193897958 /nfs/dbraw/zinc/89/79/58/1193897958.db2.gz DJRBOPGXLPNSOX-QZTJIDSGSA-N 2 1 390.553 0.788 20 0 GCADMP CC(C)(CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419385933 1193897975 /nfs/dbraw/zinc/89/79/75/1193897975.db2.gz CWIOUQDNWQDVCL-SFHVURJKSA-N 2 1 388.512 0.434 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419390162 1193901207 /nfs/dbraw/zinc/90/12/07/1193901207.db2.gz GCENFXVNYUQRCT-MSOLQXFVSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419390162 1193901210 /nfs/dbraw/zinc/90/12/10/1193901210.db2.gz GCENFXVNYUQRCT-MSOLQXFVSA-N 2 1 390.553 0.979 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419391470 1193904440 /nfs/dbraw/zinc/90/44/40/1193904440.db2.gz HKYPNXPINCOEPO-GOSISDBHSA-N 2 1 390.553 0.931 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000419391470 1193904443 /nfs/dbraw/zinc/90/44/43/1193904443.db2.gz HKYPNXPINCOEPO-GOSISDBHSA-N 2 1 390.553 0.931 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883625 1193929779 /nfs/dbraw/zinc/92/97/79/1193929779.db2.gz UVKCOKUEXGKARY-MOPGFXCFSA-N 2 1 388.512 0.754 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1=O ZINC000261928727 1193932161 /nfs/dbraw/zinc/93/21/61/1193932161.db2.gz JLGATHYQOSZCDM-OTWHNJEPSA-N 2 1 385.512 0.887 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1=O ZINC000261928727 1193932165 /nfs/dbraw/zinc/93/21/65/1193932165.db2.gz JLGATHYQOSZCDM-OTWHNJEPSA-N 2 1 385.512 0.887 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261797159 1193963455 /nfs/dbraw/zinc/96/34/55/1193963455.db2.gz IOOJMLYIERQZDN-RYQLBKOJSA-N 2 1 378.517 0.347 20 0 GCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398594 1194018352 /nfs/dbraw/zinc/01/83/52/1194018352.db2.gz HYAWLUABRUJAFO-GOSISDBHSA-N 2 1 388.537 0.756 20 0 GCADMP O=C(NCC1=CC[NH2+]CC1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398594 1194018357 /nfs/dbraw/zinc/01/83/57/1194018357.db2.gz HYAWLUABRUJAFO-GOSISDBHSA-N 2 1 388.537 0.756 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419400781 1194019048 /nfs/dbraw/zinc/01/90/48/1194019048.db2.gz NHNFPQVMMGYDOB-QGZVFWFLSA-N 2 1 378.542 0.836 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419400781 1194019053 /nfs/dbraw/zinc/01/90/53/1194019053.db2.gz NHNFPQVMMGYDOB-QGZVFWFLSA-N 2 1 378.542 0.836 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398953 1194019534 /nfs/dbraw/zinc/01/95/34/1194019534.db2.gz IUQYPOMNOYILNC-ZWKOTPCHSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398953 1194019536 /nfs/dbraw/zinc/01/95/36/1194019536.db2.gz IUQYPOMNOYILNC-ZWKOTPCHSA-N 2 1 390.553 0.836 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000419402273 1194020458 /nfs/dbraw/zinc/02/04/58/1194020458.db2.gz CBKPLFXETVIFEK-BPQIPLTHSA-N 2 1 380.533 0.579 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419402014 1194021345 /nfs/dbraw/zinc/02/13/45/1194021345.db2.gz PTDYVBZPXZGYEL-DLBZAZTESA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419402014 1194021347 /nfs/dbraw/zinc/02/13/47/1194021347.db2.gz PTDYVBZPXZGYEL-DLBZAZTESA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419419708 1194022644 /nfs/dbraw/zinc/02/26/44/1194022644.db2.gz MIEQBBOHUGZSNO-IBGZPJMESA-N 2 1 387.528 0.260 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419420207 1194023249 /nfs/dbraw/zinc/02/32/49/1194023249.db2.gz MOXGCKACFVOWOS-LJQANCHMSA-N 2 1 387.528 0.260 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421327 1194023560 /nfs/dbraw/zinc/02/35/60/1194023560.db2.gz VJWRNKAWMSZARR-RYQLBKOJSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421327 1194023563 /nfs/dbraw/zinc/02/35/63/1194023563.db2.gz VJWRNKAWMSZARR-RYQLBKOJSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423597 1194024557 /nfs/dbraw/zinc/02/45/57/1194024557.db2.gz YRFGZYFTBFQXCQ-CEXWTWQISA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423597 1194024562 /nfs/dbraw/zinc/02/45/62/1194024562.db2.gz YRFGZYFTBFQXCQ-CEXWTWQISA-N 2 1 388.512 0.732 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000419423528 1194024651 /nfs/dbraw/zinc/02/46/51/1194024651.db2.gz RZMWUCDBWIABEZ-UHFFFAOYSA-N 2 1 383.443 0.025 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419424308 1194025484 /nfs/dbraw/zinc/02/54/84/1194025484.db2.gz SXZLQDHJKYJHBY-SFHVURJKSA-N 2 1 375.517 0.207 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419424308 1194025488 /nfs/dbraw/zinc/02/54/88/1194025488.db2.gz SXZLQDHJKYJHBY-SFHVURJKSA-N 2 1 375.517 0.207 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419424308 1194025493 /nfs/dbraw/zinc/02/54/93/1194025493.db2.gz SXZLQDHJKYJHBY-SFHVURJKSA-N 2 1 375.517 0.207 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419424736 1194025705 /nfs/dbraw/zinc/02/57/05/1194025705.db2.gz ULIYLQRPFATYMW-AEFFLSMTSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419424736 1194025707 /nfs/dbraw/zinc/02/57/07/1194025707.db2.gz ULIYLQRPFATYMW-AEFFLSMTSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419424736 1194025712 /nfs/dbraw/zinc/02/57/12/1194025712.db2.gz ULIYLQRPFATYMW-AEFFLSMTSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419425120 1194026252 /nfs/dbraw/zinc/02/62/52/1194026252.db2.gz VAUWZKIVANLEHM-QGZVFWFLSA-N 2 1 375.517 0.116 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419427140 1194027636 /nfs/dbraw/zinc/02/76/36/1194027636.db2.gz YOICSTYSWLJREV-FUHWJXTLSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419427140 1194027640 /nfs/dbraw/zinc/02/76/40/1194027640.db2.gz YOICSTYSWLJREV-FUHWJXTLSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419427140 1194027644 /nfs/dbraw/zinc/02/76/44/1194027644.db2.gz YOICSTYSWLJREV-FUHWJXTLSA-N 2 1 375.517 0.192 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410910 1194029189 /nfs/dbraw/zinc/02/91/89/1194029189.db2.gz AVOGBQYZECEJAG-IEBWSBKVSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410910 1194029193 /nfs/dbraw/zinc/02/91/93/1194029193.db2.gz AVOGBQYZECEJAG-IEBWSBKVSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410910 1194029199 /nfs/dbraw/zinc/02/91/99/1194029199.db2.gz AVOGBQYZECEJAG-IEBWSBKVSA-N 2 1 387.528 0.289 20 0 GCADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419411246 1194029324 /nfs/dbraw/zinc/02/93/24/1194029324.db2.gz BIOQBQGHTKFNQM-SFHVURJKSA-N 2 1 390.528 0.355 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410912 1194030012 /nfs/dbraw/zinc/03/00/12/1194030012.db2.gz AVOGBQYZECEJAG-PKOBYXMFSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410912 1194030014 /nfs/dbraw/zinc/03/00/14/1194030014.db2.gz AVOGBQYZECEJAG-PKOBYXMFSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000419410912 1194030020 /nfs/dbraw/zinc/03/00/20/1194030020.db2.gz AVOGBQYZECEJAG-PKOBYXMFSA-N 2 1 387.528 0.289 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415403 1194031303 /nfs/dbraw/zinc/03/13/03/1194031303.db2.gz NAKKRPACRQFCIP-ZWKOTPCHSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415403 1194031308 /nfs/dbraw/zinc/03/13/08/1194031308.db2.gz NAKKRPACRQFCIP-ZWKOTPCHSA-N 2 1 388.512 0.780 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419416726 1194031317 /nfs/dbraw/zinc/03/13/17/1194031317.db2.gz JFLMDWGABCKQBQ-LJQANCHMSA-N 2 1 387.528 0.303 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419416726 1194031321 /nfs/dbraw/zinc/03/13/21/1194031321.db2.gz JFLMDWGABCKQBQ-LJQANCHMSA-N 2 1 387.528 0.303 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000419416726 1194031325 /nfs/dbraw/zinc/03/13/25/1194031325.db2.gz JFLMDWGABCKQBQ-LJQANCHMSA-N 2 1 387.528 0.303 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000419415283 1194031797 /nfs/dbraw/zinc/03/17/97/1194031797.db2.gz HQCUEXAOKKAUKD-LJQANCHMSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000419415283 1194031804 /nfs/dbraw/zinc/03/18/04/1194031804.db2.gz HQCUEXAOKKAUKD-LJQANCHMSA-N 2 1 387.528 0.431 20 0 GCADMP [NH3+]C1CCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000419415274 1194031841 /nfs/dbraw/zinc/03/18/41/1194031841.db2.gz HPEPYRUZXIVECU-UHFFFAOYSA-N 2 1 387.528 0.260 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415397 1194031852 /nfs/dbraw/zinc/03/18/52/1194031852.db2.gz NAKKRPACRQFCIP-MSOLQXFVSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415397 1194031857 /nfs/dbraw/zinc/03/18/57/1194031857.db2.gz NAKKRPACRQFCIP-MSOLQXFVSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416161 1194032240 /nfs/dbraw/zinc/03/22/40/1194032240.db2.gz OEFMSQGDNDYQKB-SZMVWBNQSA-N 2 1 376.501 0.588 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416161 1194032243 /nfs/dbraw/zinc/03/22/43/1194032243.db2.gz OEFMSQGDNDYQKB-SZMVWBNQSA-N 2 1 376.501 0.588 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000419417421 1194032272 /nfs/dbraw/zinc/03/22/72/1194032272.db2.gz KCNNJUGSRCIEMI-HSALFYBXSA-N 2 1 399.539 0.302 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000419417421 1194032276 /nfs/dbraw/zinc/03/22/76/1194032276.db2.gz KCNNJUGSRCIEMI-HSALFYBXSA-N 2 1 399.539 0.302 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](c2ccccc2)C1 ZINC000419417421 1194032280 /nfs/dbraw/zinc/03/22/80/1194032280.db2.gz KCNNJUGSRCIEMI-HSALFYBXSA-N 2 1 399.539 0.302 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416644 1194032461 /nfs/dbraw/zinc/03/24/61/1194032461.db2.gz OVJCCUKSUYOCKU-SJORKVTESA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416644 1194032464 /nfs/dbraw/zinc/03/24/64/1194032464.db2.gz OVJCCUKSUYOCKU-SJORKVTESA-N 2 1 376.501 0.636 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419455436 1194032940 /nfs/dbraw/zinc/03/29/40/1194032940.db2.gz WWZUIINEKWKTMD-OTWHNJEPSA-N 2 1 399.539 0.666 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419445762 1194035981 /nfs/dbraw/zinc/03/59/81/1194035981.db2.gz FDNDIJIIQHOUSJ-ZWKOTPCHSA-N 2 1 387.528 0.429 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419446097 1194036547 /nfs/dbraw/zinc/03/65/47/1194036547.db2.gz FVIKHKSRGNFBNI-FUHWJXTLSA-N 2 1 375.517 0.413 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419449990 1194037039 /nfs/dbraw/zinc/03/70/39/1194037039.db2.gz KZHMECJTTZFBDM-KRWDZBQOSA-N 2 1 375.517 0.381 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419449500 1194037129 /nfs/dbraw/zinc/03/71/29/1194037129.db2.gz KANQDPWWDBZEQJ-PGRDOPGGSA-N 2 1 399.539 0.525 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419454889 1194038147 /nfs/dbraw/zinc/03/81/47/1194038147.db2.gz UZCUPBJKOKPQBM-KURKYZTESA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H]1C[C@H](CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000419475674 1194039427 /nfs/dbraw/zinc/03/94/27/1194039427.db2.gz OJPYAKDHWMTWHP-NEWSRXKRSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419501737 1194046257 /nfs/dbraw/zinc/04/62/57/1194046257.db2.gz FBPMGJAOWCNKPV-ZWKOTPCHSA-N 2 1 387.528 0.572 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505956 1194046530 /nfs/dbraw/zinc/04/65/30/1194046530.db2.gz MJCDEPXXORVOHF-KSZLIROESA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419503845 1194046717 /nfs/dbraw/zinc/04/67/17/1194046717.db2.gz IJZJOCJBDJXETI-UWJYYQICSA-N 2 1 387.528 0.511 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000419503266 1194046870 /nfs/dbraw/zinc/04/68/70/1194046870.db2.gz CWLGWEDCSODCGK-QGZVFWFLSA-N 2 1 392.500 0.210 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505173 1194047335 /nfs/dbraw/zinc/04/73/35/1194047335.db2.gz LEZSDIQBBPTGAG-MSOLQXFVSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505174 1194047395 /nfs/dbraw/zinc/04/73/95/1194047395.db2.gz LEZSDIQBBPTGAG-QZTJIDSGSA-N 2 1 387.528 0.429 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419507639 1194047487 /nfs/dbraw/zinc/04/74/87/1194047487.db2.gz PLSGTQULDOPIKH-KRWDZBQOSA-N 2 1 389.544 0.947 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507175 1194047795 /nfs/dbraw/zinc/04/77/95/1194047795.db2.gz OCUIHRBXHGWOPX-SZMVWBNQSA-N 2 1 388.512 0.854 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000419530680 1194049480 /nfs/dbraw/zinc/04/94/80/1194049480.db2.gz JWUCVUPBEMHUEJ-JCHJZTRSSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000419514687 1194051942 /nfs/dbraw/zinc/05/19/42/1194051942.db2.gz PJKCCESUGOMXCA-JKSUJKDBSA-N 2 1 379.505 0.619 20 0 GCADMP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000419518913 1194052591 /nfs/dbraw/zinc/05/25/91/1194052591.db2.gz ZLVYHENDMIOCSR-HZPDHXFCSA-N 2 1 378.473 0.417 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)NC1CC[NH2+]CC1)c1ccccc1 ZINC000419523115 1194053665 /nfs/dbraw/zinc/05/36/65/1194053665.db2.gz ACAOBCBMWISIOB-SFHVURJKSA-N 2 1 376.501 0.680 20 0 GCADMP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000419556890 1194058523 /nfs/dbraw/zinc/05/85/23/1194058523.db2.gz LCSJODKWPAQBQI-ARFHVFGLSA-N 2 1 393.557 0.989 20 0 GCADMP C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000419565652 1194061789 /nfs/dbraw/zinc/06/17/89/1194061789.db2.gz ZXHYYNRAEAGYDI-LJIGWXMPSA-N 2 1 376.526 0.925 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000419594720 1194068004 /nfs/dbraw/zinc/06/80/04/1194068004.db2.gz UYPWPQDQIQHJJZ-RCCFBDPRSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419706341 1194083067 /nfs/dbraw/zinc/08/30/67/1194083067.db2.gz KDIRLFHNRMPUOR-CYGHRXIMSA-N 2 1 388.512 0.995 20 0 GCADMP COc1cc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)ccc1OCC[NH+](C)C ZINC000419686360 1194085027 /nfs/dbraw/zinc/08/50/27/1194085027.db2.gz XKLIQBVPHMIMHV-OAHLLOKOSA-N 2 1 390.484 0.927 20 0 GCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000419689666 1194085246 /nfs/dbraw/zinc/08/52/46/1194085246.db2.gz JKIIOXZQWBDMAD-LJQANCHMSA-N 2 1 387.528 0.260 20 0 GCADMP O=C(NCCCCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419693929 1194086035 /nfs/dbraw/zinc/08/60/35/1194086035.db2.gz OMOAEPKJMBEEBF-IBGZPJMESA-N 2 1 387.528 0.179 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419735401 1194088357 /nfs/dbraw/zinc/08/83/57/1194088357.db2.gz QHFZCNLKRQAUKZ-IPMKNSEASA-N 2 1 392.544 0.864 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731807 1194089214 /nfs/dbraw/zinc/08/92/14/1194089214.db2.gz RMJZLHXZOYICKV-RBUKOAKNSA-N 2 1 384.480 0.793 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C[C@H]1[NH3+] ZINC000419720739 1194092207 /nfs/dbraw/zinc/09/22/07/1194092207.db2.gz IQRVVJMKMZAFAM-SJKOYZFVSA-N 2 1 380.439 0.851 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCOCC1)c1ccc2ccccc2c1 ZINC000419718262 1194092240 /nfs/dbraw/zinc/09/22/40/1194092240.db2.gz CXUZZZSUPSJQOX-LJQANCHMSA-N 2 1 384.480 0.794 20 0 GCADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000419726015 1194094234 /nfs/dbraw/zinc/09/42/34/1194094234.db2.gz TYSFYPDOJHKODE-GOSISDBHSA-N 2 1 376.501 0.765 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1)[NH+](C)C ZINC000501260964 1194097980 /nfs/dbraw/zinc/09/79/80/1194097980.db2.gz LAJOEFLVWAQSGT-OAHLLOKOSA-N 2 1 389.500 0.469 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769818 1194101992 /nfs/dbraw/zinc/10/19/92/1194101992.db2.gz WDQJGFFFPCSUJQ-OALUTQOASA-N 2 1 388.512 0.508 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)C1CC1 ZINC000419769823 1194102097 /nfs/dbraw/zinc/10/20/97/1194102097.db2.gz WDQJGFFFPCSUJQ-RTBURBONSA-N 2 1 388.512 0.508 20 0 GCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419801655 1194106279 /nfs/dbraw/zinc/10/62/79/1194106279.db2.gz BJEINSNFRLCFJO-CVEARBPZSA-N 2 1 378.473 0.418 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000419800805 1194106423 /nfs/dbraw/zinc/10/64/23/1194106423.db2.gz AJGBUXOOFBVBBL-ZRGWGRIASA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)C[C@H](C)O1 ZINC000419800805 1194106428 /nfs/dbraw/zinc/10/64/28/1194106428.db2.gz AJGBUXOOFBVBBL-ZRGWGRIASA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)C[C@@H](C)O1 ZINC000419804967 1194106771 /nfs/dbraw/zinc/10/67/71/1194106771.db2.gz DNLXCEFCBQLIMN-HZPDHXFCSA-N 2 1 388.512 0.910 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)NCC2([NH3+])CCC2)C[C@H](C)O1 ZINC000419804966 1194106861 /nfs/dbraw/zinc/10/68/61/1194106861.db2.gz DNLXCEFCBQLIMN-HOTGVXAUSA-N 2 1 388.512 0.910 20 0 GCADMP C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419818103 1194109044 /nfs/dbraw/zinc/10/90/44/1194109044.db2.gz LDJIUZLHDWLYPR-HRCADAONSA-N 2 1 376.501 0.636 20 0 GCADMP C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419818103 1194109046 /nfs/dbraw/zinc/10/90/46/1194109046.db2.gz LDJIUZLHDWLYPR-HRCADAONSA-N 2 1 376.501 0.636 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000419820852 1194109779 /nfs/dbraw/zinc/10/97/79/1194109779.db2.gz MRUWKALAKULJKT-BRWVUGGUSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419850361 1194115231 /nfs/dbraw/zinc/11/52/31/1194115231.db2.gz FXLBGBJTNNPMGJ-HKUYNNGSSA-N 2 1 387.528 0.177 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000419834524 1194117219 /nfs/dbraw/zinc/11/72/19/1194117219.db2.gz XFFAXLJZYGTXOH-GPMSIDNRSA-N 2 1 388.512 0.862 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000419834926 1194117251 /nfs/dbraw/zinc/11/72/51/1194117251.db2.gz XVIJFQHLAKJKBX-GPMSIDNRSA-N 2 1 388.512 0.732 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000419836796 1194117725 /nfs/dbraw/zinc/11/77/25/1194117725.db2.gz CFGJWBCGEJEHQL-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868196 1194126937 /nfs/dbraw/zinc/12/69/37/1194126937.db2.gz LRTNHMKNRHDJCV-ZWKOTPCHSA-N 2 1 379.549 0.121 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000419874175 1194129027 /nfs/dbraw/zinc/12/90/27/1194129027.db2.gz NHBVIPZOJSFBBN-NZSAHSFTSA-N 2 1 386.496 0.564 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000419884534 1194132873 /nfs/dbraw/zinc/13/28/73/1194132873.db2.gz OBNSWDGVWOWNJH-SFHVURJKSA-N 2 1 393.576 0.511 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000419886112 1194133087 /nfs/dbraw/zinc/13/30/87/1194133087.db2.gz KLHMQXKFLSMTPT-RDGPPVDQSA-N 2 1 393.576 0.508 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]1CCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419894824 1194135108 /nfs/dbraw/zinc/13/51/08/1194135108.db2.gz RJCVWVRMBZTPJP-BHIYHBOVSA-N 2 1 393.576 0.650 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419896712 1194135579 /nfs/dbraw/zinc/13/55/79/1194135579.db2.gz QCJJGUHEBYEGOS-HOTGVXAUSA-N 2 1 378.542 0.939 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419898436 1194137032 /nfs/dbraw/zinc/13/70/32/1194137032.db2.gz ZTRRJQQSFFWTIQ-GOSISDBHSA-N 2 1 387.528 0.131 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419916964 1194138578 /nfs/dbraw/zinc/13/85/78/1194138578.db2.gz FNJPSAMGQLDXIW-QGZVFWFLSA-N 2 1 376.501 0.619 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419908070 1194140906 /nfs/dbraw/zinc/14/09/06/1194140906.db2.gz HRVXWXDMVVZADV-CALCHBBNSA-N 2 1 398.548 0.219 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419908070 1194140907 /nfs/dbraw/zinc/14/09/07/1194140907.db2.gz HRVXWXDMVVZADV-CALCHBBNSA-N 2 1 398.548 0.219 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419950375 1194143332 /nfs/dbraw/zinc/14/33/32/1194143332.db2.gz MEUQAXOMWGZQBF-SFHVURJKSA-N 2 1 389.544 0.234 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419958173 1194144696 /nfs/dbraw/zinc/14/46/96/1194144696.db2.gz UUKAAZXJTKTTNE-QGZVFWFLSA-N 2 1 375.517 0.239 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419972850 1194150235 /nfs/dbraw/zinc/15/02/35/1194150235.db2.gz ZTPNXRCZCGOHEZ-YJBOKZPZSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980136 1194151189 /nfs/dbraw/zinc/15/11/89/1194151189.db2.gz QLVAZZUQWQGOGE-MHORFTMASA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419980136 1194151193 /nfs/dbraw/zinc/15/11/93/1194151193.db2.gz QLVAZZUQWQGOGE-MHORFTMASA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419980138 1194151302 /nfs/dbraw/zinc/15/13/02/1194151302.db2.gz QLVAZZUQWQGOGE-TVFCKZIOSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419981015 1194151970 /nfs/dbraw/zinc/15/19/70/1194151970.db2.gz RNFLUSVQMOKODH-SFHVURJKSA-N 2 1 375.517 0.367 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419991683 1194153745 /nfs/dbraw/zinc/15/37/45/1194153745.db2.gz HBLYWEWROGUFBG-JZXOWHBKSA-N 2 1 398.548 0.203 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419991683 1194153749 /nfs/dbraw/zinc/15/37/49/1194153749.db2.gz HBLYWEWROGUFBG-JZXOWHBKSA-N 2 1 398.548 0.203 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000420000277 1194155401 /nfs/dbraw/zinc/15/54/01/1194155401.db2.gz SXJZYJBZRHNPOZ-DBXWQHBBSA-N 2 1 388.512 0.325 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419999550 1194155732 /nfs/dbraw/zinc/15/57/32/1194155732.db2.gz NAHYEWAYWPASTR-NQIIRXRSSA-N 2 1 388.512 0.340 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419999549 1194155738 /nfs/dbraw/zinc/15/57/38/1194155738.db2.gz NAHYEWAYWPASTR-GHTZIAJQSA-N 2 1 388.512 0.340 20 0 GCADMP C[NH+]1CCC(CNC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)(N2CCCCC2)CC1 ZINC000420005567 1194156604 /nfs/dbraw/zinc/15/66/04/1194156604.db2.gz WUVVUYKBKHBGDV-SFHVURJKSA-N 2 1 393.576 0.559 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000420022865 1194158344 /nfs/dbraw/zinc/15/83/44/1194158344.db2.gz WSJJZCFLQUHPSK-SFHVURJKSA-N 2 1 391.516 0.232 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000420036474 1194161564 /nfs/dbraw/zinc/16/15/64/1194161564.db2.gz FRKWLMHRRBKLEY-MRXNPFEDSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@H+]1CC(C)(C)O ZINC000420036474 1194161567 /nfs/dbraw/zinc/16/15/67/1194161567.db2.gz FRKWLMHRRBKLEY-MRXNPFEDSA-N 2 1 382.549 0.719 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000420011856 1194161645 /nfs/dbraw/zinc/16/16/45/1194161645.db2.gz IOUQZEVHNKNBFS-QZTJIDSGSA-N 2 1 375.517 0.994 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420019077 1194162786 /nfs/dbraw/zinc/16/27/86/1194162786.db2.gz QPVWRUKVLPBGCT-OGWHTMIXSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040225 1194166118 /nfs/dbraw/zinc/16/61/18/1194166118.db2.gz KRCFHGUPIRRCFC-INIZCTEOSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040225 1194166122 /nfs/dbraw/zinc/16/61/22/1194166122.db2.gz KRCFHGUPIRRCFC-INIZCTEOSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000420055525 1194171039 /nfs/dbraw/zinc/17/10/39/1194171039.db2.gz AAEHHJPNXDDFSK-LMSBXDPUSA-N 2 1 380.533 0.720 20 0 GCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420100355 1194177233 /nfs/dbraw/zinc/17/72/33/1194177233.db2.gz ZJHPRWNGDUXZKR-IYBDPMFKSA-N 2 1 396.532 0.101 20 0 GCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000420100355 1194177236 /nfs/dbraw/zinc/17/72/36/1194177236.db2.gz ZJHPRWNGDUXZKR-IYBDPMFKSA-N 2 1 396.532 0.101 20 0 GCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420119170 1194187035 /nfs/dbraw/zinc/18/70/35/1194187035.db2.gz NEXKAVFMLUFYCT-MMOPVJDHSA-N 2 1 388.512 0.196 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000420119140 1194187328 /nfs/dbraw/zinc/18/73/28/1194187328.db2.gz IXXWYCQFVOCHQB-ZWKOTPCHSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000420161007 1194191234 /nfs/dbraw/zinc/19/12/34/1194191234.db2.gz JNIAZOUUSQHYHD-IRXDYDNUSA-N 2 1 379.549 0.310 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000420163319 1194191855 /nfs/dbraw/zinc/19/18/55/1194191855.db2.gz ZZQPUCMXZSPQCD-BRWVUGGUSA-N 2 1 398.548 0.217 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420142150 1194192389 /nfs/dbraw/zinc/19/23/89/1194192389.db2.gz ZVUSTYJQBBCRNQ-FUHWJXTLSA-N 2 1 388.512 0.986 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420142150 1194192391 /nfs/dbraw/zinc/19/23/91/1194192391.db2.gz ZVUSTYJQBBCRNQ-FUHWJXTLSA-N 2 1 388.512 0.986 20 0 GCADMP CCN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420178889 1194195875 /nfs/dbraw/zinc/19/58/75/1194195875.db2.gz BFRHEMUAPOTNBC-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000420178963 1194195954 /nfs/dbraw/zinc/19/59/54/1194195954.db2.gz BKOOMHRUCXSPAX-AOIWGVFYSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420178963 1194195956 /nfs/dbraw/zinc/19/59/56/1194195956.db2.gz BKOOMHRUCXSPAX-AOIWGVFYSA-N 2 1 388.512 0.603 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420182092 1194197714 /nfs/dbraw/zinc/19/77/14/1194197714.db2.gz FEYPJGKMKOLSQM-OTWHNJEPSA-N 2 1 386.496 0.072 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1)CC1CC1 ZINC000420183503 1194197770 /nfs/dbraw/zinc/19/77/70/1194197770.db2.gz HAGHUUULMMXCRE-IBGZPJMESA-N 2 1 394.560 0.842 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000420183097 1194197800 /nfs/dbraw/zinc/19/78/00/1194197800.db2.gz LETIATVLJOFSBG-IRXDYDNUSA-N 2 1 376.501 0.460 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000420183097 1194197803 /nfs/dbraw/zinc/19/78/03/1194197803.db2.gz LETIATVLJOFSBG-IRXDYDNUSA-N 2 1 376.501 0.460 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000420186100 1194199032 /nfs/dbraw/zinc/19/90/32/1194199032.db2.gz PSYKULHVABOENH-MJGOQNOKSA-N 2 1 390.528 0.850 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1CCOC ZINC000420200260 1194202910 /nfs/dbraw/zinc/20/29/10/1194202910.db2.gz DSTIFRVSCZAHJU-BSDSXHPESA-N 2 1 380.533 0.450 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[N@H+]1CCOC ZINC000420200260 1194202912 /nfs/dbraw/zinc/20/29/12/1194202912.db2.gz DSTIFRVSCZAHJU-BSDSXHPESA-N 2 1 380.533 0.450 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420203821 1194204703 /nfs/dbraw/zinc/20/47/03/1194204703.db2.gz ZWCSNVMPXHZZRZ-SFHVURJKSA-N 2 1 398.548 0.078 20 0 GCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000420206444 1194205388 /nfs/dbraw/zinc/20/53/88/1194205388.db2.gz JVYUVIVTWKXAQV-XUVXKRRUSA-N 2 1 384.524 0.878 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420188581 1194206026 /nfs/dbraw/zinc/20/60/26/1194206026.db2.gz NHMMFZMFCZAXQX-PKOBYXMFSA-N 2 1 388.512 0.604 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000420189284 1194206367 /nfs/dbraw/zinc/20/63/67/1194206367.db2.gz DHKRYTUEMDREQO-IBGZPJMESA-N 2 1 388.512 0.258 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000420222851 1194210459 /nfs/dbraw/zinc/21/04/59/1194210459.db2.gz TZMKSTNCLVRTIQ-KURKYZTESA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CCCO1 ZINC000501619564 1194214458 /nfs/dbraw/zinc/21/44/58/1194214458.db2.gz CCCAJQWVROXVJI-MJGOQNOKSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCCO1 ZINC000501619564 1194214463 /nfs/dbraw/zinc/21/44/63/1194214463.db2.gz CCCAJQWVROXVJI-MJGOQNOKSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCO1 ZINC000501619564 1194214466 /nfs/dbraw/zinc/21/44/66/1194214466.db2.gz CCCAJQWVROXVJI-MJGOQNOKSA-N 2 1 394.560 0.984 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501617837 1194214708 /nfs/dbraw/zinc/21/47/08/1194214708.db2.gz YZKTVZNOKOKJFU-KRWDZBQOSA-N 2 1 380.533 0.546 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501619800 1194215047 /nfs/dbraw/zinc/21/50/47/1194215047.db2.gz YCWYCADIRLBJPP-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC1 ZINC000501636259 1194216879 /nfs/dbraw/zinc/21/68/79/1194216879.db2.gz HTYGJOMLYQZUHV-GOSISDBHSA-N 2 1 394.560 0.672 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000501636259 1194216883 /nfs/dbraw/zinc/21/68/83/1194216883.db2.gz HTYGJOMLYQZUHV-GOSISDBHSA-N 2 1 394.560 0.672 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000501636259 1194216886 /nfs/dbraw/zinc/21/68/86/1194216886.db2.gz HTYGJOMLYQZUHV-GOSISDBHSA-N 2 1 394.560 0.672 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501641329 1194217006 /nfs/dbraw/zinc/21/70/06/1194217006.db2.gz QYSLSQWPDMOGRX-RYRKJORJSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C[C@H]1C ZINC000501641329 1194217010 /nfs/dbraw/zinc/21/70/10/1194217010.db2.gz QYSLSQWPDMOGRX-RYRKJORJSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501641329 1194217012 /nfs/dbraw/zinc/21/70/12/1194217012.db2.gz QYSLSQWPDMOGRX-RYRKJORJSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H]1C ZINC000501641329 1194217015 /nfs/dbraw/zinc/21/70/15/1194217015.db2.gz QYSLSQWPDMOGRX-RYRKJORJSA-N 2 1 380.533 0.281 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000501641528 1194217806 /nfs/dbraw/zinc/21/78/06/1194217806.db2.gz PPQQYUWYCIUDHY-BHIYHBOVSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C[C@@H](C)O ZINC000501641528 1194217809 /nfs/dbraw/zinc/21/78/09/1194217809.db2.gz PPQQYUWYCIUDHY-BHIYHBOVSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C[C@@H](C)O ZINC000501641528 1194217812 /nfs/dbraw/zinc/21/78/12/1194217812.db2.gz PPQQYUWYCIUDHY-BHIYHBOVSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C[C@@H](C)O ZINC000501641528 1194217815 /nfs/dbraw/zinc/21/78/15/1194217815.db2.gz PPQQYUWYCIUDHY-BHIYHBOVSA-N 2 1 394.560 0.671 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501651818 1194218815 /nfs/dbraw/zinc/21/88/15/1194218815.db2.gz YLEVNJDUKWASIQ-SJLPKXTDSA-N 2 1 394.560 0.840 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501649279 1194219144 /nfs/dbraw/zinc/21/91/44/1194219144.db2.gz SKSABOFXIRLHED-LJQANCHMSA-N 2 1 393.576 0.463 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501649279 1194219148 /nfs/dbraw/zinc/21/91/48/1194219148.db2.gz SKSABOFXIRLHED-LJQANCHMSA-N 2 1 393.576 0.463 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501649279 1194219150 /nfs/dbraw/zinc/21/91/50/1194219150.db2.gz SKSABOFXIRLHED-LJQANCHMSA-N 2 1 393.576 0.463 20 0 GCADMP C[N@@H+](CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C[C@H](O)C[NH3+] ZINC000420358747 1194224011 /nfs/dbraw/zinc/22/40/11/1194224011.db2.gz UUQHDXOIBKOHAZ-OAHLLOKOSA-N 2 1 384.502 0.051 20 0 GCADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000420359599 1194224646 /nfs/dbraw/zinc/22/46/46/1194224646.db2.gz GDZIMOKWBWRDQG-QWQRMKEZSA-N 2 1 382.530 0.359 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733393 1194224679 /nfs/dbraw/zinc/22/46/79/1194224679.db2.gz SHASIBNAYHFOCE-HKUYNNGSSA-N 2 1 390.528 0.708 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400830 1194225892 /nfs/dbraw/zinc/22/58/92/1194225892.db2.gz IRXKTMZQTJOKHN-FMKPAKJESA-N 2 1 382.530 0.298 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400830 1194225895 /nfs/dbraw/zinc/22/58/95/1194225895.db2.gz IRXKTMZQTJOKHN-FMKPAKJESA-N 2 1 382.530 0.298 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400832 1194225934 /nfs/dbraw/zinc/22/59/34/1194225934.db2.gz IRXKTMZQTJOKHN-IIAWOOMASA-N 2 1 382.530 0.298 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400832 1194225936 /nfs/dbraw/zinc/22/59/36/1194225936.db2.gz IRXKTMZQTJOKHN-IIAWOOMASA-N 2 1 382.530 0.298 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407557 1194228442 /nfs/dbraw/zinc/22/84/42/1194228442.db2.gz OLDIGUTWNYPECK-YXWQFLTLSA-N 2 1 382.530 0.816 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407557 1194228445 /nfs/dbraw/zinc/22/84/45/1194228445.db2.gz OLDIGUTWNYPECK-YXWQFLTLSA-N 2 1 382.530 0.816 20 0 GCADMP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000420774957 1194261872 /nfs/dbraw/zinc/26/18/72/1194261872.db2.gz ZGHOVGZOFQLBRA-SFHVURJKSA-N 2 1 394.560 0.986 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000420774957 1194261876 /nfs/dbraw/zinc/26/18/76/1194261876.db2.gz ZGHOVGZOFQLBRA-SFHVURJKSA-N 2 1 394.560 0.986 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCCCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000421130526 1194297831 /nfs/dbraw/zinc/29/78/31/1194297831.db2.gz PQVOVWFCLLLTBD-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000421130526 1194297835 /nfs/dbraw/zinc/29/78/35/1194297835.db2.gz PQVOVWFCLLLTBD-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000421130526 1194297837 /nfs/dbraw/zinc/29/78/37/1194297837.db2.gz PQVOVWFCLLLTBD-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@H](C)O1 ZINC000421130526 1194297840 /nfs/dbraw/zinc/29/78/40/1194297840.db2.gz PQVOVWFCLLLTBD-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000421168042 1194300819 /nfs/dbraw/zinc/30/08/19/1194300819.db2.gz MBABQZYKCNCINP-QGZVFWFLSA-N 2 1 388.516 0.002 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000421407666 1194337137 /nfs/dbraw/zinc/33/71/37/1194337137.db2.gz MGPNRKZAZDYNDS-KRWDZBQOSA-N 2 1 376.501 0.796 20 0 GCADMP CC[NH+](CC)CCOC1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422116779 1194394471 /nfs/dbraw/zinc/39/44/71/1194394471.db2.gz LFIFWUSSUPKTSZ-QGZVFWFLSA-N 2 1 382.549 0.888 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000272274771 1194445869 /nfs/dbraw/zinc/44/58/69/1194445869.db2.gz BZWNFNPCMOIKTB-PBHICJAKSA-N 2 1 387.484 0.678 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000272274771 1194445872 /nfs/dbraw/zinc/44/58/72/1194445872.db2.gz BZWNFNPCMOIKTB-PBHICJAKSA-N 2 1 387.484 0.678 20 0 GCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000273042092 1194533356 /nfs/dbraw/zinc/53/33/56/1194533356.db2.gz GIOGTPNMJZHLNB-RLLQIKCJSA-N 2 1 375.513 0.954 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)CC1 ZINC000422307799 1194616504 /nfs/dbraw/zinc/61/65/04/1194616504.db2.gz OQICLYVHDNGPIW-QGZVFWFLSA-N 2 1 393.576 0.604 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000422378181 1194626983 /nfs/dbraw/zinc/62/69/83/1194626983.db2.gz LTGJEBPEGKMURP-OALUTQOASA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000422378181 1194626988 /nfs/dbraw/zinc/62/69/88/1194626988.db2.gz LTGJEBPEGKMURP-OALUTQOASA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000422378181 1194626991 /nfs/dbraw/zinc/62/69/91/1194626991.db2.gz LTGJEBPEGKMURP-OALUTQOASA-N 2 1 388.512 0.422 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000422395132 1194635369 /nfs/dbraw/zinc/63/53/69/1194635369.db2.gz IMJCEHHRFYZKGQ-FHWLQOOXSA-N 2 1 394.560 0.812 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H](C)O1 ZINC000414677332 1194678112 /nfs/dbraw/zinc/67/81/12/1194678112.db2.gz IYUFYMLQRQCLMU-GASCZTMLSA-N 2 1 390.484 0.723 20 0 GCADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422642516 1194681210 /nfs/dbraw/zinc/68/12/10/1194681210.db2.gz ZMIUTWBFIVGNEY-VYDXJSESSA-N 2 1 396.557 0.688 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)O1 ZINC000414684234 1194691069 /nfs/dbraw/zinc/69/10/69/1194691069.db2.gz VAVCNMICLHFWNA-GASCZTMLSA-N 2 1 392.500 0.967 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)O1 ZINC000414684234 1194691072 /nfs/dbraw/zinc/69/10/72/1194691072.db2.gz VAVCNMICLHFWNA-GASCZTMLSA-N 2 1 392.500 0.967 20 0 GCADMP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422892878 1194707771 /nfs/dbraw/zinc/70/77/71/1194707771.db2.gz ZNXAONHSSBPMNA-IPMKNSEASA-N 2 1 388.512 0.767 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCO1 ZINC000423022178 1194718338 /nfs/dbraw/zinc/71/83/38/1194718338.db2.gz DTBNNKVTDQFZSC-IBGZPJMESA-N 2 1 396.491 0.670 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423047639 1194718936 /nfs/dbraw/zinc/71/89/36/1194718936.db2.gz HKJRAAKQVLWKCT-SFHVURJKSA-N 2 1 388.512 0.797 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)C1 ZINC000423047639 1194718938 /nfs/dbraw/zinc/71/89/38/1194718938.db2.gz HKJRAAKQVLWKCT-SFHVURJKSA-N 2 1 388.512 0.797 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423051766 1194725164 /nfs/dbraw/zinc/72/51/64/1194725164.db2.gz OZGSSBZVEMJVBU-HDICACEKSA-N 2 1 386.496 0.407 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423051766 1194725169 /nfs/dbraw/zinc/72/51/69/1194725169.db2.gz OZGSSBZVEMJVBU-HDICACEKSA-N 2 1 386.496 0.407 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000423084568 1194726439 /nfs/dbraw/zinc/72/64/39/1194726439.db2.gz IJGFGSIFFWADFL-IBGZPJMESA-N 2 1 393.576 0.463 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000423120168 1194728229 /nfs/dbraw/zinc/72/82/29/1194728229.db2.gz FTXPDWFMQQOIGT-JCGIZDLHSA-N 2 1 376.476 0.879 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000423183286 1194733730 /nfs/dbraw/zinc/73/37/30/1194733730.db2.gz GCQMOKVOJKBWNS-JENIJYKNSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000423185647 1194733982 /nfs/dbraw/zinc/73/39/82/1194733982.db2.gz JXISFVWCYMUXFA-BDXSIMOUSA-N 2 1 380.533 0.674 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423183697 1194734069 /nfs/dbraw/zinc/73/40/69/1194734069.db2.gz GQZURSDJICFFOH-MHORFTMASA-N 2 1 380.533 0.545 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000423183697 1194734071 /nfs/dbraw/zinc/73/40/71/1194734071.db2.gz GQZURSDJICFFOH-MHORFTMASA-N 2 1 380.533 0.545 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)CC2)c1 ZINC000423162163 1194734534 /nfs/dbraw/zinc/73/45/34/1194734534.db2.gz SVULOGPOEUHLGB-UHFFFAOYSA-N 2 1 389.500 0.395 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423212105 1194737558 /nfs/dbraw/zinc/73/75/58/1194737558.db2.gz LOJYGZNKUFJHCK-KSZLIROESA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC000423191787 1194738386 /nfs/dbraw/zinc/73/83/86/1194738386.db2.gz TYUXIHHEFDHSJL-KZNAEPCWSA-N 2 1 392.544 0.689 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214495 1194740287 /nfs/dbraw/zinc/74/02/87/1194740287.db2.gz OYZODHGHPISHRB-KSZLIROESA-N 2 1 379.549 0.214 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)CC1 ZINC000423214072 1194740471 /nfs/dbraw/zinc/74/04/71/1194740471.db2.gz OJNJXVSWAHAQLK-QKLQHJQFSA-N 2 1 379.549 0.201 20 0 GCADMP C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423294390 1194747510 /nfs/dbraw/zinc/74/75/10/1194747510.db2.gz UJSVSPKIQAPAIN-NEWSRXKRSA-N 2 1 388.512 0.684 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000423373374 1194750599 /nfs/dbraw/zinc/75/05/99/1194750599.db2.gz BRLIFTSVWKGIFG-WMZOPIPTSA-N 2 1 392.544 0.546 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423370748 1194751601 /nfs/dbraw/zinc/75/16/01/1194751601.db2.gz HCQNVKRRWGPQTP-MJGOQNOKSA-N 2 1 388.512 0.686 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423388071 1194752854 /nfs/dbraw/zinc/75/28/54/1194752854.db2.gz MPAKFZXQPYFVOC-KSZLIROESA-N 2 1 392.544 0.546 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000423388520 1194752962 /nfs/dbraw/zinc/75/29/62/1194752962.db2.gz MWURHCWUINYVRZ-INIZCTEOSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000423392832 1194753411 /nfs/dbraw/zinc/75/34/11/1194753411.db2.gz QSQPZJLUEMYANF-LAQRGFTBSA-N 2 1 378.517 0.284 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000423397505 1194753706 /nfs/dbraw/zinc/75/37/06/1194753706.db2.gz SLZGZQPHPVDVFG-IRXDYDNUSA-N 2 1 380.533 0.533 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423447436 1194755771 /nfs/dbraw/zinc/75/57/71/1194755771.db2.gz OZYSAPTUVIWZCW-SFHVURJKSA-N 2 1 398.548 0.160 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423452091 1194756407 /nfs/dbraw/zinc/75/64/07/1194756407.db2.gz VXMNOWHIDDLTQC-OALUTQOASA-N 2 1 394.560 0.651 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000423432902 1194756840 /nfs/dbraw/zinc/75/68/40/1194756840.db2.gz BUADTNKJLAEREJ-WMZOPIPTSA-N 2 1 382.549 0.779 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)CC1 ZINC000423432893 1194756876 /nfs/dbraw/zinc/75/68/76/1194756876.db2.gz BUADTNKJLAEREJ-AEFFLSMTSA-N 2 1 382.549 0.779 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423439835 1194757523 /nfs/dbraw/zinc/75/75/23/1194757523.db2.gz IFSSMYYQZWUBKD-QZTJIDSGSA-N 2 1 394.560 0.651 20 0 GCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423462351 1194758326 /nfs/dbraw/zinc/75/83/26/1194758326.db2.gz OYUUGDYJMXZQLF-BBWFWOEESA-N 2 1 396.532 0.053 20 0 GCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000423462351 1194758330 /nfs/dbraw/zinc/75/83/30/1194758330.db2.gz OYUUGDYJMXZQLF-BBWFWOEESA-N 2 1 396.532 0.053 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000414746640 1194758576 /nfs/dbraw/zinc/75/85/76/1194758576.db2.gz LVPNOQFZBKADES-CQSZACIVSA-N 2 1 380.439 0.920 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423479323 1194758970 /nfs/dbraw/zinc/75/89/70/1194758970.db2.gz VCDBFXVQCSCTII-IBGZPJMESA-N 2 1 394.560 0.923 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423504643 1194760152 /nfs/dbraw/zinc/76/01/52/1194760152.db2.gz NOOHBFIKCXJKLV-CALCHBBNSA-N 2 1 394.560 0.922 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)C1 ZINC000423505873 1194760162 /nfs/dbraw/zinc/76/01/62/1194760162.db2.gz HMXYFGKFOPMZSW-NEWSRXKRSA-N 2 1 393.576 0.602 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](CCO)Cc2cnn(Cc3ccccc3)c2)C1 ZINC000414747941 1194760677 /nfs/dbraw/zinc/76/06/77/1194760677.db2.gz VLZXKNDVYOGKKR-IBGZPJMESA-N 2 1 385.512 0.923 20 0 GCADMP C[NH2+]C1CCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000423497676 1194761104 /nfs/dbraw/zinc/76/11/04/1194761104.db2.gz HFQLMHPUKKBLED-CALCHBBNSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423511509 1194761831 /nfs/dbraw/zinc/76/18/31/1194761831.db2.gz TYXUIKWRLNFSRM-ZMMAXQRCSA-N 2 1 394.560 0.920 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC[N@@H+]1CCOC ZINC000423517806 1194762168 /nfs/dbraw/zinc/76/21/68/1194762168.db2.gz BYSIHXOPKJHYDD-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC[N@H+]1CCOC ZINC000423517806 1194762169 /nfs/dbraw/zinc/76/21/69/1194762169.db2.gz BYSIHXOPKJHYDD-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423523848 1194763005 /nfs/dbraw/zinc/76/30/05/1194763005.db2.gz IVHFCVIBXCWWGB-KRWDZBQOSA-N 2 1 398.548 0.302 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@H+]1CCOC ZINC000423523848 1194763007 /nfs/dbraw/zinc/76/30/07/1194763007.db2.gz IVHFCVIBXCWWGB-KRWDZBQOSA-N 2 1 398.548 0.302 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423561298 1194764457 /nfs/dbraw/zinc/76/44/57/1194764457.db2.gz GHDBWJHOFJYSTN-HXUWFJFHSA-N 2 1 376.501 0.150 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423589638 1194766573 /nfs/dbraw/zinc/76/65/73/1194766573.db2.gz AIIMLWBQDZIPJR-KSZLIROESA-N 2 1 379.549 0.214 20 0 GCADMP C[C@@H]1C[N@@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423641142 1194776928 /nfs/dbraw/zinc/77/69/28/1194776928.db2.gz HEJGRMATMOXVOZ-IXDOHACOSA-N 2 1 396.532 0.053 20 0 GCADMP C[C@@H]1C[N@H+](CCOC2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423641142 1194776929 /nfs/dbraw/zinc/77/69/29/1194776929.db2.gz HEJGRMATMOXVOZ-IXDOHACOSA-N 2 1 396.532 0.053 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1)Cc1ccccc1 ZINC000423646704 1194777613 /nfs/dbraw/zinc/77/76/13/1194777613.db2.gz MFOJLZJBLAAYCU-LJQANCHMSA-N 2 1 387.528 0.212 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423657103 1194779953 /nfs/dbraw/zinc/77/99/53/1194779953.db2.gz VJLVKUPRIYLOBF-IAGOWNOFSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423657180 1194780270 /nfs/dbraw/zinc/78/02/70/1194780270.db2.gz VOOSRINULMWEHA-ROUUACIJSA-N 2 1 387.528 0.463 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423658541 1194780636 /nfs/dbraw/zinc/78/06/36/1194780636.db2.gz XVADITWXHXSNRV-KBPBESRZSA-N 2 1 394.438 0.295 20 0 GCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423666790 1194782005 /nfs/dbraw/zinc/78/20/05/1194782005.db2.gz IVELXHOXYOHORZ-IBGZPJMESA-N 2 1 388.512 0.545 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC2)CCO1 ZINC000423695307 1194783451 /nfs/dbraw/zinc/78/34/51/1194783451.db2.gz VMCFATFNEWREHT-KRWDZBQOSA-N 2 1 388.512 0.686 20 0 GCADMP COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000423701282 1194783796 /nfs/dbraw/zinc/78/37/96/1194783796.db2.gz VHZLSLXWUHEFJW-GOSISDBHSA-N 2 1 388.512 0.968 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCO1 ZINC000423701203 1194783869 /nfs/dbraw/zinc/78/38/69/1194783869.db2.gz VEAWXVJAMPZWSI-CEXWTWQISA-N 2 1 386.496 0.153 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000423701204 1194783884 /nfs/dbraw/zinc/78/38/84/1194783884.db2.gz VEAWXVJAMPZWSI-GBESFXJTSA-N 2 1 386.496 0.153 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC[N@@H+]1C ZINC000423705967 1194786577 /nfs/dbraw/zinc/78/65/77/1194786577.db2.gz AJDWPVLWIMMLGW-ZACQAIPSSA-N 2 1 378.517 0.012 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC[N@H+]1C ZINC000423705967 1194786579 /nfs/dbraw/zinc/78/65/79/1194786579.db2.gz AJDWPVLWIMMLGW-ZACQAIPSSA-N 2 1 378.517 0.012 20 0 GCADMP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423744673 1194791127 /nfs/dbraw/zinc/79/11/27/1194791127.db2.gz MXBZHRRHYWZEME-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424455148 1194813274 /nfs/dbraw/zinc/81/32/74/1194813274.db2.gz MWIMAXCEIHLHLS-INIZCTEOSA-N 2 1 375.517 0.782 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1CC ZINC000424491689 1194816732 /nfs/dbraw/zinc/81/67/32/1194816732.db2.gz FFEQJPOYPLTQSA-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)C[C@H]1CC ZINC000424491689 1194816733 /nfs/dbraw/zinc/81/67/33/1194816733.db2.gz FFEQJPOYPLTQSA-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)NCCC[N@@H+](C)Cc3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424562858 1194824904 /nfs/dbraw/zinc/82/49/04/1194824904.db2.gz ZOZHOLGJMCWBPN-RBUKOAKNSA-N 2 1 398.511 0.312 20 0 GCADMP O=C(C[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000434724790 1194864330 /nfs/dbraw/zinc/86/43/30/1194864330.db2.gz HIKVCJVFEONBOJ-LJQANCHMSA-N 2 1 378.517 0.081 20 0 GCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000664447093 1194869115 /nfs/dbraw/zinc/86/91/15/1194869115.db2.gz IOBILWFAJNISQB-GUDVDZBRSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@H]1[NH+]1CCOCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664447093 1194869117 /nfs/dbraw/zinc/86/91/17/1194869117.db2.gz IOBILWFAJNISQB-GUDVDZBRSA-N 2 1 380.533 0.870 20 0 GCADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000505581597 1194880559 /nfs/dbraw/zinc/88/05/59/1194880559.db2.gz NYWQBEHJTSTKCF-NQIIRXRSSA-N 2 1 392.544 0.644 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000505581597 1194880562 /nfs/dbraw/zinc/88/05/62/1194880562.db2.gz NYWQBEHJTSTKCF-NQIIRXRSSA-N 2 1 392.544 0.644 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000514586955 1194885682 /nfs/dbraw/zinc/88/56/82/1194885682.db2.gz GIWMHNVIASDFPX-GOSISDBHSA-N 2 1 381.565 0.957 20 0 GCADMP CC1[C@@H](C(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)[C@@H]1C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425318704 1194909958 /nfs/dbraw/zinc/90/99/58/1194909958.db2.gz BLTZLRFSHZZQHX-VTYCOLDWSA-N 2 1 388.556 0.974 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435378771 1194925987 /nfs/dbraw/zinc/92/59/87/1194925987.db2.gz GIRGNZDUXCWIRC-GOSISDBHSA-N 2 1 388.512 0.975 20 0 GCADMP C[NH+](C)CCN(Cc1cccs1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000283617548 1194926532 /nfs/dbraw/zinc/92/65/32/1194926532.db2.gz QOZZTNAUMXUCPF-UHFFFAOYSA-N 2 1 382.530 0.477 20 0 GCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)[C@@H]2C1 ZINC000425384157 1194935041 /nfs/dbraw/zinc/93/50/41/1194935041.db2.gz JEYXGNQKYNXVOG-PKOBYXMFSA-N 2 1 392.544 0.642 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000425385710 1194936515 /nfs/dbraw/zinc/93/65/15/1194936515.db2.gz KXWPYFUOXOTDPB-INIZCTEOSA-N 2 1 382.549 0.744 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000425391735 1194940184 /nfs/dbraw/zinc/94/01/84/1194940184.db2.gz SGYLTANIBLTCIZ-QGZVFWFLSA-N 2 1 398.548 0.125 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N(C)C[C@H](O)CN2CCOCC2)C[C@H](C)O1 ZINC000435585812 1194946010 /nfs/dbraw/zinc/94/60/10/1194946010.db2.gz VBKANMJBGQYPLT-BBWFWOEESA-N 2 1 386.537 0.209 20 0 GCADMP CN(C[C@H](O)CN1CCOCC1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000435583370 1194946372 /nfs/dbraw/zinc/94/63/72/1194946372.db2.gz IXGPRLOHHBAUBM-IBGZPJMESA-N 2 1 391.516 0.381 20 0 GCADMP COCC[N@@H+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500432 1194978560 /nfs/dbraw/zinc/97/85/60/1194978560.db2.gz VUFNUINTTDIXQD-FXAWDEMLSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000515500432 1194978562 /nfs/dbraw/zinc/97/85/62/1194978562.db2.gz VUFNUINTTDIXQD-FXAWDEMLSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000515500432 1194978564 /nfs/dbraw/zinc/97/85/64/1194978564.db2.gz VUFNUINTTDIXQD-FXAWDEMLSA-N 2 1 390.484 0.122 20 0 GCADMP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000285244145 1194979063 /nfs/dbraw/zinc/97/90/63/1194979063.db2.gz XPQHOTIVGJFIPA-UHFFFAOYSA-N 2 1 378.542 0.920 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCC[NH+]2CCSCC2)c1 ZINC000285244145 1194979064 /nfs/dbraw/zinc/97/90/64/1194979064.db2.gz XPQHOTIVGJFIPA-UHFFFAOYSA-N 2 1 378.542 0.920 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000515533074 1194981693 /nfs/dbraw/zinc/98/16/93/1194981693.db2.gz PTKXCDNSCTZGKL-UHFFFAOYSA-N 2 1 382.549 0.795 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436065771 1194983601 /nfs/dbraw/zinc/98/36/01/1194983601.db2.gz PNCSGECTEFPBIA-QGZVFWFLSA-N 2 1 376.501 0.973 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436065771 1194983603 /nfs/dbraw/zinc/98/36/03/1194983603.db2.gz PNCSGECTEFPBIA-QGZVFWFLSA-N 2 1 376.501 0.973 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000515686337 1194991171 /nfs/dbraw/zinc/99/11/71/1194991171.db2.gz SJLFLSXOAPMNIK-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000286207259 1194997736 /nfs/dbraw/zinc/99/77/36/1194997736.db2.gz YECVEJOROIOLNQ-INIZCTEOSA-N 2 1 378.517 0.926 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000414883667 1195002716 /nfs/dbraw/zinc/00/27/16/1195002716.db2.gz NVOKUNAFCSOBJM-CYBMUJFWSA-N 2 1 388.390 0.940 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000516078376 1195020195 /nfs/dbraw/zinc/02/01/95/1195020195.db2.gz HXGOCFRFEHZEIP-ROUUACIJSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000516078376 1195020201 /nfs/dbraw/zinc/02/02/01/1195020201.db2.gz HXGOCFRFEHZEIP-ROUUACIJSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000516078376 1195020205 /nfs/dbraw/zinc/02/02/05/1195020205.db2.gz HXGOCFRFEHZEIP-ROUUACIJSA-N 2 1 382.549 0.555 20 0 GCADMP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)CC(C)C ZINC000516197939 1195031028 /nfs/dbraw/zinc/03/10/28/1195031028.db2.gz CXTGIZPLVXRESW-QGZVFWFLSA-N 2 1 384.565 0.774 20 0 GCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCCCN3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000425640433 1195042906 /nfs/dbraw/zinc/04/29/06/1195042906.db2.gz PYQMIIWJVDJIIF-ZWKOTPCHSA-N 2 1 387.532 0.724 20 0 GCADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000425640433 1195042910 /nfs/dbraw/zinc/04/29/10/1195042910.db2.gz PYQMIIWJVDJIIF-ZWKOTPCHSA-N 2 1 387.532 0.724 20 0 GCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)[C@@H]2C1 ZINC000425640433 1195042912 /nfs/dbraw/zinc/04/29/12/1195042912.db2.gz PYQMIIWJVDJIIF-ZWKOTPCHSA-N 2 1 387.532 0.724 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000516438244 1195053245 /nfs/dbraw/zinc/05/32/45/1195053245.db2.gz KVOLJBXJZPEQCU-KRWDZBQOSA-N 2 1 382.549 0.794 20 0 GCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000516438244 1195053250 /nfs/dbraw/zinc/05/32/50/1195053250.db2.gz KVOLJBXJZPEQCU-KRWDZBQOSA-N 2 1 382.549 0.794 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000516438245 1195053553 /nfs/dbraw/zinc/05/35/53/1195053553.db2.gz KVOLJBXJZPEQCU-QGZVFWFLSA-N 2 1 382.549 0.794 20 0 GCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000516438245 1195053555 /nfs/dbraw/zinc/05/35/55/1195053555.db2.gz KVOLJBXJZPEQCU-QGZVFWFLSA-N 2 1 382.549 0.794 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000516558911 1195066957 /nfs/dbraw/zinc/06/69/57/1195066957.db2.gz FZNHRUXBPANXLQ-JFIYKMOQSA-N 2 1 380.533 0.687 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)N1CC[NH+](C)CC1 ZINC000516761641 1195094426 /nfs/dbraw/zinc/09/44/26/1195094426.db2.gz KNSPZZRIOOQEHK-RCCFBDPRSA-N 2 1 377.537 0.128 20 0 GCADMP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000516857941 1195105798 /nfs/dbraw/zinc/10/57/98/1195105798.db2.gz QYBIYCQFPSRXNC-FGTMMUONSA-N 2 1 388.512 0.653 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516917241 1195112209 /nfs/dbraw/zinc/11/22/09/1195112209.db2.gz QYJIUAWLXCMMPJ-QFBILLFUSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516917241 1195112211 /nfs/dbraw/zinc/11/22/11/1195112211.db2.gz QYJIUAWLXCMMPJ-QFBILLFUSA-N 2 1 388.512 0.508 20 0 GCADMP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000516916136 1195112284 /nfs/dbraw/zinc/11/22/84/1195112284.db2.gz SCTCJIAGHRLYPY-OAHLLOKOSA-N 2 1 379.530 0.691 20 0 GCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000516964882 1195120122 /nfs/dbraw/zinc/12/01/22/1195120122.db2.gz BASNCXOWYGINFW-NNMXDRDESA-N 2 1 382.508 0.931 20 0 GCADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000517025320 1195125811 /nfs/dbraw/zinc/12/58/11/1195125811.db2.gz NMWAHXXHHSIVFJ-QGZVFWFLSA-N 2 1 388.512 0.651 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000517058237 1195130927 /nfs/dbraw/zinc/13/09/27/1195130927.db2.gz FZELJKSZRKEJKK-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000517058237 1195130929 /nfs/dbraw/zinc/13/09/29/1195130929.db2.gz FZELJKSZRKEJKK-IXDOHACOSA-N 2 1 382.549 0.839 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000425889673 1195150554 /nfs/dbraw/zinc/15/05/54/1195150554.db2.gz VGOUOEQCRKATFJ-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000425889673 1195150558 /nfs/dbraw/zinc/15/05/58/1195150558.db2.gz VGOUOEQCRKATFJ-QGZVFWFLSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000425889672 1195150813 /nfs/dbraw/zinc/15/08/13/1195150813.db2.gz VGOUOEQCRKATFJ-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000425889672 1195150814 /nfs/dbraw/zinc/15/08/14/1195150814.db2.gz VGOUOEQCRKATFJ-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)c1 ZINC000437748247 1195151211 /nfs/dbraw/zinc/15/12/11/1195151211.db2.gz RVMGQVQOXVTHFK-LJQANCHMSA-N 2 1 380.489 0.832 20 0 GCADMP COCC(C)(C)N1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000425887392 1195153335 /nfs/dbraw/zinc/15/33/35/1195153335.db2.gz RNNHBXABEIAUNC-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000425887392 1195153338 /nfs/dbraw/zinc/15/33/38/1195153338.db2.gz RNNHBXABEIAUNC-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000425887392 1195153341 /nfs/dbraw/zinc/15/33/41/1195153341.db2.gz RNNHBXABEIAUNC-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NCCC1CC[NH+](C)CC1)[NH+]1CCN(C)CC1 ZINC000517250458 1195164874 /nfs/dbraw/zinc/16/48/74/1195164874.db2.gz ZOWNHFCFKBGMRL-SFHVURJKSA-N 2 1 381.565 0.223 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000517539492 1195189299 /nfs/dbraw/zinc/18/92/99/1195189299.db2.gz HGENZKHLQDHOLL-QZTJIDSGSA-N 2 1 377.558 0.807 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000517539492 1195189303 /nfs/dbraw/zinc/18/93/03/1195189303.db2.gz HGENZKHLQDHOLL-QZTJIDSGSA-N 2 1 377.558 0.807 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000517595975 1195195191 /nfs/dbraw/zinc/19/51/91/1195195191.db2.gz IMYUXYREHYXELH-QZTJIDSGSA-N 2 1 381.565 0.224 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000517903239 1195227678 /nfs/dbraw/zinc/22/76/78/1195227678.db2.gz VHTVNZBSLQRJML-NEPXVJNWSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000517903239 1195227682 /nfs/dbraw/zinc/22/76/82/1195227682.db2.gz VHTVNZBSLQRJML-NEPXVJNWSA-N 2 1 388.512 0.588 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000414966203 1195267337 /nfs/dbraw/zinc/26/73/37/1195267337.db2.gz OCKJXXKTRFDQNZ-UHFFFAOYSA-N 2 1 375.517 0.978 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414971208 1195272742 /nfs/dbraw/zinc/27/27/42/1195272742.db2.gz HXSKZERGCHLOKH-SFHVURJKSA-N 2 1 399.495 0.036 20 0 GCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CC1 ZINC000518332450 1195280548 /nfs/dbraw/zinc/28/05/48/1195280548.db2.gz DILZFRLVHZQCSH-CALCHBBNSA-N 2 1 382.549 0.479 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CC1 ZINC000518332450 1195280551 /nfs/dbraw/zinc/28/05/51/1195280551.db2.gz DILZFRLVHZQCSH-CALCHBBNSA-N 2 1 382.549 0.479 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000518332450 1195280554 /nfs/dbraw/zinc/28/05/54/1195280554.db2.gz DILZFRLVHZQCSH-CALCHBBNSA-N 2 1 382.549 0.479 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000518332450 1195280556 /nfs/dbraw/zinc/28/05/56/1195280556.db2.gz DILZFRLVHZQCSH-CALCHBBNSA-N 2 1 382.549 0.479 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000518353994 1195284098 /nfs/dbraw/zinc/28/40/98/1195284098.db2.gz RKQZOKBRIGZFBE-CEXWTWQISA-N 2 1 394.560 0.669 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@H+]1C ZINC000518353994 1195284100 /nfs/dbraw/zinc/28/41/00/1195284100.db2.gz RKQZOKBRIGZFBE-CEXWTWQISA-N 2 1 394.560 0.669 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000653377219 1195321579 /nfs/dbraw/zinc/32/15/79/1195321579.db2.gz UDZUDVMCAOIQQC-SFHVURJKSA-N 2 1 381.565 0.321 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000518763886 1195327657 /nfs/dbraw/zinc/32/76/57/1195327657.db2.gz FAVDSCOFFKQGFT-QGZVFWFLSA-N 2 1 385.472 0.719 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000518763886 1195327659 /nfs/dbraw/zinc/32/76/59/1195327659.db2.gz FAVDSCOFFKQGFT-QGZVFWFLSA-N 2 1 385.472 0.719 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000518763885 1195327762 /nfs/dbraw/zinc/32/77/62/1195327762.db2.gz FAVDSCOFFKQGFT-KRWDZBQOSA-N 2 1 385.472 0.719 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000518763885 1195327764 /nfs/dbraw/zinc/32/77/64/1195327764.db2.gz FAVDSCOFFKQGFT-KRWDZBQOSA-N 2 1 385.472 0.719 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc2)CC1 ZINC000439561284 1195332277 /nfs/dbraw/zinc/33/22/77/1195332277.db2.gz NACFNEOVNRBSGD-UHFFFAOYSA-N 2 1 389.500 0.517 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802353 1195335831 /nfs/dbraw/zinc/33/58/31/1195335831.db2.gz ALDBCYNZBUZALL-HKUYNNGSSA-N 2 1 391.560 0.214 20 0 GCADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426567514 1195383390 /nfs/dbraw/zinc/38/33/90/1195383390.db2.gz WFNYSLGNLFGFKQ-GGPKGHCWSA-N 2 1 398.548 0.137 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000550093715 1195433721 /nfs/dbraw/zinc/43/37/21/1195433721.db2.gz IOVJUIXOBDZZSD-LJQANCHMSA-N 2 1 390.528 0.837 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000550204352 1195461288 /nfs/dbraw/zinc/46/12/88/1195461288.db2.gz JIFAUDVYCJOZRL-HZPDHXFCSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000550205772 1195461354 /nfs/dbraw/zinc/46/13/54/1195461354.db2.gz FYBNYZDTRRZBKG-BRWVUGGUSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000550205772 1195461359 /nfs/dbraw/zinc/46/13/59/1195461359.db2.gz FYBNYZDTRRZBKG-BRWVUGGUSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000550205774 1195461608 /nfs/dbraw/zinc/46/16/08/1195461608.db2.gz FYBNYZDTRRZBKG-ZACQAIPSSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000550205774 1195461611 /nfs/dbraw/zinc/46/16/11/1195461611.db2.gz FYBNYZDTRRZBKG-ZACQAIPSSA-N 2 1 382.549 0.791 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000550269882 1195473994 /nfs/dbraw/zinc/47/39/94/1195473994.db2.gz UCYZVZGYEUNAPR-UHFFFAOYSA-N 2 1 398.573 0.303 20 0 GCADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000426761986 1195481453 /nfs/dbraw/zinc/48/14/53/1195481453.db2.gz GBTUFPVJWFDWAL-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000426761986 1195481454 /nfs/dbraw/zinc/48/14/54/1195481454.db2.gz GBTUFPVJWFDWAL-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000519590103 1195495902 /nfs/dbraw/zinc/49/59/02/1195495902.db2.gz UJBQZDXAPYVPOW-HZPDHXFCSA-N 2 1 380.562 0.239 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427274584 1195522755 /nfs/dbraw/zinc/52/27/55/1195522755.db2.gz JKRAYYQPCWEMEV-CABCVRRESA-N 2 1 376.505 1.029 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427274584 1195522756 /nfs/dbraw/zinc/52/27/56/1195522756.db2.gz JKRAYYQPCWEMEV-CABCVRRESA-N 2 1 376.505 1.029 20 0 GCADMP CCOC(CNC(=O)[C@H]1CCC[NH+]1C1CC1)CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000427465066 1195543131 /nfs/dbraw/zinc/54/31/31/1195543131.db2.gz GFOIDIVEEOWEOL-RTBURBONSA-N 2 1 392.544 0.878 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)NC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000427496243 1195546037 /nfs/dbraw/zinc/54/60/37/1195546037.db2.gz VELUTEDSDBBYIP-WBAXXEDZSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427496243 1195546039 /nfs/dbraw/zinc/54/60/39/1195546039.db2.gz VELUTEDSDBBYIP-WBAXXEDZSA-N 2 1 378.517 0.487 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000427496243 1195546041 /nfs/dbraw/zinc/54/60/41/1195546041.db2.gz VELUTEDSDBBYIP-WBAXXEDZSA-N 2 1 378.517 0.487 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)CC1 ZINC000427524884 1195548685 /nfs/dbraw/zinc/54/86/85/1195548685.db2.gz MVEWPPLLIMYRSK-NVXWUHKLSA-N 2 1 388.516 1.031 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000427544929 1195549095 /nfs/dbraw/zinc/54/90/95/1195549095.db2.gz DKXNIJZFFYJRMM-WBVHZDCISA-N 2 1 390.532 1.420 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000473882683 1195557816 /nfs/dbraw/zinc/55/78/16/1195557816.db2.gz FTADMULPAQYWDK-UHFFFAOYSA-N 2 1 383.581 0.939 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000519667669 1195562884 /nfs/dbraw/zinc/56/28/84/1195562884.db2.gz POCJAKTXVAHUEK-DOTOQJQBSA-N 2 1 380.533 0.733 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707432 1195566242 /nfs/dbraw/zinc/56/62/42/1195566242.db2.gz AHZDJTBEOCGWEM-UONOGXRCSA-N 2 1 378.473 0.776 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707432 1195566245 /nfs/dbraw/zinc/56/62/45/1195566245.db2.gz AHZDJTBEOCGWEM-UONOGXRCSA-N 2 1 378.473 0.776 20 0 GCADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000519750695 1195567845 /nfs/dbraw/zinc/56/78/45/1195567845.db2.gz KWMQXSWBFMKSEO-NRFANRHFSA-N 2 1 392.544 0.502 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550318251 1195590103 /nfs/dbraw/zinc/59/01/03/1195590103.db2.gz VJLSYGOOKZSABQ-FCEWJHQRSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000550318251 1195590106 /nfs/dbraw/zinc/59/01/06/1195590106.db2.gz VJLSYGOOKZSABQ-FCEWJHQRSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000550318253 1195590279 /nfs/dbraw/zinc/59/02/79/1195590279.db2.gz VJLSYGOOKZSABQ-GPMSIDNRSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000440968692 1195592808 /nfs/dbraw/zinc/59/28/08/1195592808.db2.gz WMFJYENTIBCRFK-BXWFABGCSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000440968699 1195593038 /nfs/dbraw/zinc/59/30/38/1195593038.db2.gz WMFJYENTIBCRFK-TXPKVOOTSA-N 2 1 388.512 0.780 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)C[C@@H]1C ZINC000441090985 1195602647 /nfs/dbraw/zinc/60/26/47/1195602647.db2.gz UNLVRMIOSIDNAG-HOTGVXAUSA-N 2 1 392.504 0.095 20 0 GCADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000520218943 1195607722 /nfs/dbraw/zinc/60/77/22/1195607722.db2.gz JEHCFNDBJMJSBU-OAQYLSRUSA-N 2 1 376.545 0.607 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416937111 1195615806 /nfs/dbraw/zinc/61/58/06/1195615806.db2.gz IYLWDTZLZKNMLP-DLBZAZTESA-N 2 1 383.537 0.372 20 0 GCADMP C[C@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520335221 1195622210 /nfs/dbraw/zinc/62/22/10/1195622210.db2.gz JVJDCUVJCIBWCR-ROUUACIJSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520335221 1195622212 /nfs/dbraw/zinc/62/22/12/1195622212.db2.gz JVJDCUVJCIBWCR-ROUUACIJSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@H]1CCN(C)CCN1C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000550342392 1195636619 /nfs/dbraw/zinc/63/66/19/1195636619.db2.gz FEFSCDSFGJQRPZ-KRWDZBQOSA-N 2 1 380.533 0.690 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)C1 ZINC000550358461 1195643917 /nfs/dbraw/zinc/64/39/17/1195643917.db2.gz APWSYDFUKSBMMI-ZWKOTPCHSA-N 2 1 382.549 0.698 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000550372209 1195646400 /nfs/dbraw/zinc/64/64/00/1195646400.db2.gz OUGJOHZLEAHWLR-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)N1CC[NH+](C)CC1 ZINC000550383890 1195651830 /nfs/dbraw/zinc/65/18/30/1195651830.db2.gz WSDJNWRSBCXKGQ-WMZOPIPTSA-N 2 1 379.549 0.141 20 0 GCADMP COc1ccc(CN2CCC[N@@H+](CCC(=O)N3CCN(C)CC3)CC2=O)cc1 ZINC000328677330 1195660488 /nfs/dbraw/zinc/66/04/88/1195660488.db2.gz LXUHHOYCEULPGM-UHFFFAOYSA-N 2 1 388.512 0.894 20 0 GCADMP COc1ccc(CN2CCCN(CCC(=O)N3CCN(C)CC3)CC2=O)cc1 ZINC000328677330 1195660491 /nfs/dbraw/zinc/66/04/91/1195660491.db2.gz LXUHHOYCEULPGM-UHFFFAOYSA-N 2 1 388.512 0.894 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000417443553 1195742532 /nfs/dbraw/zinc/74/25/32/1195742532.db2.gz YQCJNLNSRUKEJE-KRWDZBQOSA-N 2 1 381.521 0.093 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550410584 1195747565 /nfs/dbraw/zinc/74/75/65/1195747565.db2.gz XKOUDYUUJVVZNC-JZXOWHBKSA-N 2 1 380.533 0.687 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550410584 1195747567 /nfs/dbraw/zinc/74/75/67/1195747567.db2.gz XKOUDYUUJVVZNC-JZXOWHBKSA-N 2 1 380.533 0.687 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550410582 1195747808 /nfs/dbraw/zinc/74/78/08/1195747808.db2.gz XKOUDYUUJVVZNC-JFIYKMOQSA-N 2 1 380.533 0.687 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551490 1195784983 /nfs/dbraw/zinc/78/49/83/1195784983.db2.gz DHGKSMCZAFMCAD-DLBZAZTESA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551490 1195784986 /nfs/dbraw/zinc/78/49/86/1195784986.db2.gz DHGKSMCZAFMCAD-DLBZAZTESA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000520551490 1195784988 /nfs/dbraw/zinc/78/49/88/1195784988.db2.gz DHGKSMCZAFMCAD-DLBZAZTESA-N 2 1 383.537 0.230 20 0 GCADMP C[C@H]1CCC[C@](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000520620629 1195804112 /nfs/dbraw/zinc/80/41/12/1195804112.db2.gz IIGBTZZDFJONRZ-RXVVDRJESA-N 2 1 395.592 0.757 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000428033002 1195904434 /nfs/dbraw/zinc/90/44/34/1195904434.db2.gz LWFUYZXXRFAIHS-MSOLQXFVSA-N 2 1 380.533 0.689 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000428033002 1195904436 /nfs/dbraw/zinc/90/44/36/1195904436.db2.gz LWFUYZXXRFAIHS-MSOLQXFVSA-N 2 1 380.533 0.689 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000428033002 1195904440 /nfs/dbraw/zinc/90/44/40/1195904440.db2.gz LWFUYZXXRFAIHS-MSOLQXFVSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@@H](c1ccc(NC(=O)C(=O)NCCOCC[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000441848800 1195925826 /nfs/dbraw/zinc/92/58/26/1195925826.db2.gz VTWXRWGPZMZUNT-INIZCTEOSA-N 2 1 392.500 0.713 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000474028089 1195932380 /nfs/dbraw/zinc/93/23/80/1195932380.db2.gz AZFKKETXBOAFMD-INIZCTEOSA-N 2 1 383.537 0.108 20 0 GCADMP CC(C)(O)CN1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989982 1195947546 /nfs/dbraw/zinc/94/75/46/1195947546.db2.gz LQMHDJGEBCDRKQ-WMZOPIPTSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000520989982 1195947549 /nfs/dbraw/zinc/94/75/49/1195947549.db2.gz LQMHDJGEBCDRKQ-WMZOPIPTSA-N 2 1 392.544 0.377 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000520989982 1195947553 /nfs/dbraw/zinc/94/75/53/1195947553.db2.gz LQMHDJGEBCDRKQ-WMZOPIPTSA-N 2 1 392.544 0.377 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C1=CC[N@H+](C)CC1 ZINC000442334439 1195977332 /nfs/dbraw/zinc/97/73/32/1195977332.db2.gz MILJYYWAKDEOBU-CQSZACIVSA-N 2 1 387.484 0.892 20 0 GCADMP C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)C1=CC[N@@H+](C)CC1 ZINC000442334439 1195977333 /nfs/dbraw/zinc/97/73/33/1195977333.db2.gz MILJYYWAKDEOBU-CQSZACIVSA-N 2 1 387.484 0.892 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550458390 1195980735 /nfs/dbraw/zinc/98/07/35/1195980735.db2.gz SMDGCYADDBRAFH-GOSISDBHSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](CCCCC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451152382 1195983588 /nfs/dbraw/zinc/98/35/88/1195983588.db2.gz YOUNMVKSMWLQKC-WOZUAGRISA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451152382 1195983591 /nfs/dbraw/zinc/98/35/91/1195983591.db2.gz YOUNMVKSMWLQKC-WOZUAGRISA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+](CCCCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@H]1CCN2CCO[C@H]1C2 ZINC000451152382 1195983593 /nfs/dbraw/zinc/98/35/93/1195983593.db2.gz YOUNMVKSMWLQKC-WOZUAGRISA-N 2 1 380.577 0.967 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000550457749 1195984635 /nfs/dbraw/zinc/98/46/35/1195984635.db2.gz NFXNIVGVXBRILG-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000550458900 1195985799 /nfs/dbraw/zinc/98/57/99/1195985799.db2.gz YJODXYCPMVXHEB-QZTJIDSGSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000550458900 1195985802 /nfs/dbraw/zinc/98/58/02/1195985802.db2.gz YJODXYCPMVXHEB-QZTJIDSGSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458977 1195986819 /nfs/dbraw/zinc/98/68/19/1195986819.db2.gz UOGMGEKMASBELS-WMZOPIPTSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000550458977 1195986820 /nfs/dbraw/zinc/98/68/20/1195986820.db2.gz UOGMGEKMASBELS-WMZOPIPTSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000550458977 1195986823 /nfs/dbraw/zinc/98/68/23/1195986823.db2.gz UOGMGEKMASBELS-WMZOPIPTSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000550458805 1195988345 /nfs/dbraw/zinc/98/83/45/1195988345.db2.gz RWVXBEJNKNTCKZ-ZWKOTPCHSA-N 2 1 382.549 0.840 20 0 GCADMP CN1CC[NH+](CCC(C)(C)NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442591142 1195994642 /nfs/dbraw/zinc/99/46/42/1195994642.db2.gz HHPZYZQYCQZVQF-UHFFFAOYSA-N 2 1 382.597 0.728 20 0 GCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442591142 1195994645 /nfs/dbraw/zinc/99/46/45/1195994645.db2.gz HHPZYZQYCQZVQF-UHFFFAOYSA-N 2 1 382.597 0.728 20 0 GCADMP C[NH+]1CCN(CCC(C)(C)NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000442591142 1195994647 /nfs/dbraw/zinc/99/46/47/1195994647.db2.gz HHPZYZQYCQZVQF-UHFFFAOYSA-N 2 1 382.597 0.728 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000521414125 1195995332 /nfs/dbraw/zinc/99/53/32/1195995332.db2.gz VLKPPSAEOXRNTQ-IYBDPMFKSA-N 2 1 380.533 0.450 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442761039 1196001293 /nfs/dbraw/zinc/00/12/93/1196001293.db2.gz OTOSBVNFKUUPRK-CVEARBPZSA-N 2 1 383.514 0.755 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754078 1196002252 /nfs/dbraw/zinc/00/22/52/1196002252.db2.gz HRKUAIHDWXGTGG-AEFFLSMTSA-N 2 1 394.541 0.330 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000442754078 1196002256 /nfs/dbraw/zinc/00/22/56/1196002256.db2.gz HRKUAIHDWXGTGG-AEFFLSMTSA-N 2 1 394.541 0.330 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775118 1196002573 /nfs/dbraw/zinc/00/25/73/1196002573.db2.gz BKBORIRVFOASTA-HOTGVXAUSA-N 2 1 380.514 0.189 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000442775118 1196002578 /nfs/dbraw/zinc/00/25/78/1196002578.db2.gz BKBORIRVFOASTA-HOTGVXAUSA-N 2 1 380.514 0.189 20 0 GCADMP COCC[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000521642182 1196008258 /nfs/dbraw/zinc/00/82/58/1196008258.db2.gz XIXKRFBCDONWPG-YADHBBJMSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000521642182 1196008261 /nfs/dbraw/zinc/00/82/61/1196008261.db2.gz XIXKRFBCDONWPG-YADHBBJMSA-N 2 1 390.572 0.818 20 0 GCADMP COCC[NH+](C)C[C@H](O)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000521642182 1196008264 /nfs/dbraw/zinc/00/82/64/1196008264.db2.gz XIXKRFBCDONWPG-YADHBBJMSA-N 2 1 390.572 0.818 20 0 GCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000443055784 1196018292 /nfs/dbraw/zinc/01/82/92/1196018292.db2.gz BSLOQNGHQQZLPD-CQSZACIVSA-N 2 1 398.529 0.945 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[N@H+]1C1CC1 ZINC000521937701 1196026895 /nfs/dbraw/zinc/02/68/95/1196026895.db2.gz UVIDQUAAPVAPPV-AETAKHFUSA-N 2 1 378.517 0.222 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC000521964153 1196027990 /nfs/dbraw/zinc/02/79/90/1196027990.db2.gz VMAPISAYYIDPHI-RTBURBONSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001075813596 1196047911 /nfs/dbraw/zinc/04/79/11/1196047911.db2.gz OLFOFPFQBADSSG-GDAAHCPNSA-N 2 1 392.544 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001075813596 1196047913 /nfs/dbraw/zinc/04/79/13/1196047913.db2.gz OLFOFPFQBADSSG-GDAAHCPNSA-N 2 1 392.544 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001075813596 1196047915 /nfs/dbraw/zinc/04/79/15/1196047915.db2.gz OLFOFPFQBADSSG-GDAAHCPNSA-N 2 1 392.544 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001075813596 1196047919 /nfs/dbraw/zinc/04/79/19/1196047919.db2.gz OLFOFPFQBADSSG-GDAAHCPNSA-N 2 1 392.544 0.545 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1cccc(C(N)=O)c1 ZINC001087622383 1196053131 /nfs/dbraw/zinc/05/31/31/1196053131.db2.gz IZHIIGPJRGXOKQ-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC001087622383 1196053132 /nfs/dbraw/zinc/05/31/32/1196053132.db2.gz IZHIIGPJRGXOKQ-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001087622383 1196053133 /nfs/dbraw/zinc/05/31/33/1196053133.db2.gz IZHIIGPJRGXOKQ-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1cccc(C(N)=O)c1 ZINC001087622383 1196053136 /nfs/dbraw/zinc/05/31/36/1196053136.db2.gz IZHIIGPJRGXOKQ-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCCc1nc(C)no1 ZINC001087622255 1196053167 /nfs/dbraw/zinc/05/31/67/1196053167.db2.gz BUBSSMKTNXXJLK-XLNGHYISSA-N 2 1 379.505 0.999 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCCc1nc(C)no1 ZINC001087622255 1196053168 /nfs/dbraw/zinc/05/31/68/1196053168.db2.gz BUBSSMKTNXXJLK-XLNGHYISSA-N 2 1 379.505 0.999 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCCc1nc(C)no1 ZINC001087622255 1196053171 /nfs/dbraw/zinc/05/31/71/1196053171.db2.gz BUBSSMKTNXXJLK-XLNGHYISSA-N 2 1 379.505 0.999 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCCc1nc(C)no1 ZINC001087622255 1196053174 /nfs/dbraw/zinc/05/31/74/1196053174.db2.gz BUBSSMKTNXXJLK-XLNGHYISSA-N 2 1 379.505 0.999 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCn1nc(C)nc1C ZINC001087622586 1196053262 /nfs/dbraw/zinc/05/32/62/1196053262.db2.gz VFTBDJNQMRJVDY-BVPBIZIASA-N 2 1 378.521 0.583 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCn1nc(C)nc1C ZINC001087622586 1196053264 /nfs/dbraw/zinc/05/32/64/1196053264.db2.gz VFTBDJNQMRJVDY-BVPBIZIASA-N 2 1 378.521 0.583 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCn1nc(C)nc1C ZINC001087622586 1196053266 /nfs/dbraw/zinc/05/32/66/1196053266.db2.gz VFTBDJNQMRJVDY-BVPBIZIASA-N 2 1 378.521 0.583 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCn1nc(C)nc1C ZINC001087622586 1196053269 /nfs/dbraw/zinc/05/32/69/1196053269.db2.gz VFTBDJNQMRJVDY-BVPBIZIASA-N 2 1 378.521 0.583 20 0 GCADMP COC(=O)CCCS(=O)(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000522799423 1196054275 /nfs/dbraw/zinc/05/42/75/1196054275.db2.gz WQLPMVBBESDVPI-UHFFFAOYSA-N 2 1 384.502 0.466 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000550521848 1196074098 /nfs/dbraw/zinc/07/40/98/1196074098.db2.gz UKWMHSNZOXBOQW-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C(=O)[C@H]1C[NH+](C)C[C@H]1C ZINC000487437597 1196085485 /nfs/dbraw/zinc/08/54/85/1196085485.db2.gz YFXYTWWDBHGEHS-YRXWBPOGSA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487437597 1196085486 /nfs/dbraw/zinc/08/54/86/1196085486.db2.gz YFXYTWWDBHGEHS-YRXWBPOGSA-N 2 1 396.576 0.752 20 0 GCADMP CC(C)N(CCOCCNC(=O)[C@H]1C[NH+](C)C[C@H]1C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487437597 1196085490 /nfs/dbraw/zinc/08/54/90/1196085490.db2.gz YFXYTWWDBHGEHS-YRXWBPOGSA-N 2 1 396.576 0.752 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550566358 1196087597 /nfs/dbraw/zinc/08/75/97/1196087597.db2.gz KNBZYBZGAYSSDC-MRXNPFEDSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000550566358 1196087599 /nfs/dbraw/zinc/08/75/99/1196087599.db2.gz KNBZYBZGAYSSDC-MRXNPFEDSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1)C[NH+]1CCOCC1 ZINC000550566425 1196087772 /nfs/dbraw/zinc/08/77/72/1196087772.db2.gz MPKBKQCSJJQLAI-MRXNPFEDSA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000895731506 1196110317 /nfs/dbraw/zinc/11/03/17/1196110317.db2.gz IFNQUQNBFHADKJ-UHFFFAOYSA-N 2 1 378.517 0.110 20 0 GCADMP COc1c[nH+]ccc1N1CCN(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000474410318 1196115327 /nfs/dbraw/zinc/11/53/27/1196115327.db2.gz MTDHRKBPLTVDON-INIZCTEOSA-N 2 1 390.488 0.262 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000443764299 1196141931 /nfs/dbraw/zinc/14/19/31/1196141931.db2.gz MMWQPMBZSHUDPJ-SJORKVTESA-N 2 1 399.561 0.881 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4ncnn4CCF)C[C@H]3C2)CC[N@H+]1C ZINC001087971668 1196142554 /nfs/dbraw/zinc/14/25/54/1196142554.db2.gz MQTJWEDNUFBDCL-WCXIOVBPSA-N 2 1 378.496 0.868 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(CC(=O)Nc4cnccn4)C[C@H]3C2)CC[N@H+]1C ZINC001087971588 1196142681 /nfs/dbraw/zinc/14/26/81/1196142681.db2.gz IHSVVMPCYPZPEZ-WCXIOVBPSA-N 2 1 386.500 0.536 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971237 1196143689 /nfs/dbraw/zinc/14/36/89/1196143689.db2.gz MPWOVNZFAIIGDF-WCXIOVBPSA-N 2 1 376.501 0.256 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971237 1196143692 /nfs/dbraw/zinc/14/36/92/1196143692.db2.gz MPWOVNZFAIIGDF-WCXIOVBPSA-N 2 1 376.501 0.256 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971237 1196143693 /nfs/dbraw/zinc/14/36/93/1196143693.db2.gz MPWOVNZFAIIGDF-WCXIOVBPSA-N 2 1 376.501 0.256 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896440962 1196148406 /nfs/dbraw/zinc/14/84/06/1196148406.db2.gz NVKFBYVOEBJVOX-KRWDZBQOSA-N 2 1 387.528 0.819 20 0 GCADMP C[C@H](NC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@@H]1C[N@@H+](C)CCN1C ZINC000896533265 1196153525 /nfs/dbraw/zinc/15/35/25/1196153525.db2.gz HASWWWDCXSWLFA-JYJNAYRXSA-N 2 1 385.553 0.582 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[NH+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153608 /nfs/dbraw/zinc/15/36/08/1196153608.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153610 /nfs/dbraw/zinc/15/36/10/1196153610.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 1 390.576 0.985 20 0 GCADMP CC(C)[NH+]1CC[C@@H](C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCN2C)[C@H](c2cnn(C)c2)C1 ZINC000896532878 1196153613 /nfs/dbraw/zinc/15/36/13/1196153613.db2.gz NBGGMGMRUHQUHP-OJAHFUOMSA-N 2 1 390.576 0.985 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C[C@@H](O)CC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000329052752 1196159805 /nfs/dbraw/zinc/15/98/05/1196159805.db2.gz LIEBPFZWPUZDIP-BSHDOZJQSA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000329052752 1196159809 /nfs/dbraw/zinc/15/98/09/1196159809.db2.gz LIEBPFZWPUZDIP-BSHDOZJQSA-N 2 1 392.544 0.233 20 0 GCADMP C[NH+]1CC[C@H]2CCN(C(=O)C[C@H](O)CC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000329052752 1196159812 /nfs/dbraw/zinc/15/98/12/1196159812.db2.gz LIEBPFZWPUZDIP-BSHDOZJQSA-N 2 1 392.544 0.233 20 0 GCADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000329234605 1196178754 /nfs/dbraw/zinc/17/87/54/1196178754.db2.gz MURFKOULTDYPLN-YLJYHZDGSA-N 2 1 378.517 0.254 20 0 GCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000329234605 1196178756 /nfs/dbraw/zinc/17/87/56/1196178756.db2.gz MURFKOULTDYPLN-YLJYHZDGSA-N 2 1 378.517 0.254 20 0 GCADMP C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000329234604 1196179029 /nfs/dbraw/zinc/17/90/29/1196179029.db2.gz MURFKOULTDYPLN-XLIONFOSSA-N 2 1 378.517 0.254 20 0 GCADMP C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)C2)C1 ZINC000329234604 1196179040 /nfs/dbraw/zinc/17/90/40/1196179040.db2.gz MURFKOULTDYPLN-XLIONFOSSA-N 2 1 378.517 0.254 20 0 GCADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000329452210 1196197501 /nfs/dbraw/zinc/19/75/01/1196197501.db2.gz LUCPWBLDKVFOMC-GUDVDZBRSA-N 2 1 392.544 0.785 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)O1 ZINC001088011422 1196216389 /nfs/dbraw/zinc/21/63/89/1196216389.db2.gz MNFHXOCPHSXMJB-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCC4)CC[C@@H]3C2)O1 ZINC001088011422 1196216390 /nfs/dbraw/zinc/21/63/90/1196216390.db2.gz MNFHXOCPHSXMJB-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)O1 ZINC001088011422 1196216394 /nfs/dbraw/zinc/21/63/94/1196216394.db2.gz MNFHXOCPHSXMJB-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCC4)CC[C@@H]3C2)O1 ZINC001088011422 1196216395 /nfs/dbraw/zinc/21/63/95/1196216395.db2.gz MNFHXOCPHSXMJB-ZJPYXAASSA-N 2 1 378.517 0.108 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122404 1196254505 /nfs/dbraw/zinc/25/45/05/1196254505.db2.gz KHXQXADFBFDAKW-QRVBRYPASA-N 2 1 392.544 0.642 20 0 GCADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122404 1196254506 /nfs/dbraw/zinc/25/45/06/1196254506.db2.gz KHXQXADFBFDAKW-QRVBRYPASA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000330122404 1196254509 /nfs/dbraw/zinc/25/45/09/1196254509.db2.gz KHXQXADFBFDAKW-QRVBRYPASA-N 2 1 392.544 0.642 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985059283 1196336943 /nfs/dbraw/zinc/33/69/43/1196336943.db2.gz IWBWSYKLXSYOQU-YYIAUSFCSA-N 2 1 378.517 0.297 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000985059283 1196336947 /nfs/dbraw/zinc/33/69/47/1196336947.db2.gz IWBWSYKLXSYOQU-YYIAUSFCSA-N 2 1 378.517 0.297 20 0 GCADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000444167404 1196354756 /nfs/dbraw/zinc/35/47/56/1196354756.db2.gz MTCJYOYBJSQOKK-BEFAXECRSA-N 2 1 392.504 0.128 20 0 GCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000475529935 1196463520 /nfs/dbraw/zinc/46/35/20/1196463520.db2.gz RDRDQDVTFWCCJZ-OAHLLOKOSA-N 2 1 387.488 0.540 20 0 GCADMP Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000475529935 1196463523 /nfs/dbraw/zinc/46/35/23/1196463523.db2.gz RDRDQDVTFWCCJZ-OAHLLOKOSA-N 2 1 387.488 0.540 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N(C)C ZINC000523452322 1196524476 /nfs/dbraw/zinc/52/44/76/1196524476.db2.gz JPHDCPUBTVUXCA-IAGOWNOFSA-N 2 1 391.516 0.937 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+](C)C ZINC000523452322 1196524477 /nfs/dbraw/zinc/52/44/77/1196524477.db2.gz JPHDCPUBTVUXCA-IAGOWNOFSA-N 2 1 391.516 0.937 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000523509919 1196529664 /nfs/dbraw/zinc/52/96/64/1196529664.db2.gz BUYQBHQSNYYHGU-KRWDZBQOSA-N 2 1 383.537 0.150 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626766 1196537565 /nfs/dbraw/zinc/53/75/65/1196537565.db2.gz QJHUPPUKBZSREX-QZTJIDSGSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626766 1196537569 /nfs/dbraw/zinc/53/75/69/1196537569.db2.gz QJHUPPUKBZSREX-QZTJIDSGSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626766 1196537572 /nfs/dbraw/zinc/53/75/72/1196537572.db2.gz QJHUPPUKBZSREX-QZTJIDSGSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626768 1196537671 /nfs/dbraw/zinc/53/76/71/1196537671.db2.gz QJHUPPUKBZSREX-ZWKOTPCHSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626768 1196537675 /nfs/dbraw/zinc/53/76/75/1196537675.db2.gz QJHUPPUKBZSREX-ZWKOTPCHSA-N 2 1 397.564 0.585 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000523626768 1196537679 /nfs/dbraw/zinc/53/76/79/1196537679.db2.gz QJHUPPUKBZSREX-ZWKOTPCHSA-N 2 1 397.564 0.585 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524032116 1196573140 /nfs/dbraw/zinc/57/31/40/1196573140.db2.gz YIQZYURGEXJIDF-SFHVURJKSA-N 2 1 397.564 0.729 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000445550269 1196578873 /nfs/dbraw/zinc/57/88/73/1196578873.db2.gz OJUVHEFIVQNRMD-UHFFFAOYSA-N 2 1 389.500 0.056 20 0 GCADMP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524619481 1196611078 /nfs/dbraw/zinc/61/10/78/1196611078.db2.gz UPIWPVYUVVTEQE-QZTJIDSGSA-N 2 1 397.564 0.321 20 0 GCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000897346680 1196613271 /nfs/dbraw/zinc/61/32/71/1196613271.db2.gz XUAMHIIYPUVHOC-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000897346680 1196613278 /nfs/dbraw/zinc/61/32/78/1196613278.db2.gz XUAMHIIYPUVHOC-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000524780258 1196624260 /nfs/dbraw/zinc/62/42/60/1196624260.db2.gz WGBVCZZZOMHHBV-SJORKVTESA-N 2 1 388.516 0.902 20 0 GCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996934 1196641908 /nfs/dbraw/zinc/64/19/08/1196641908.db2.gz SJKUSNUWOWXCCK-NQIIRXRSSA-N 2 1 390.528 0.891 20 0 GCADMP C[C@H](CNC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996934 1196641911 /nfs/dbraw/zinc/64/19/11/1196641911.db2.gz SJKUSNUWOWXCCK-NQIIRXRSSA-N 2 1 390.528 0.891 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@H]3CCCC[N@H+](C)C3)C[C@@H]2C)CC1 ZINC000624614291 1196677680 /nfs/dbraw/zinc/67/76/80/1196677680.db2.gz OITXBXDGJJVSLT-QXAKKESOSA-N 2 1 379.549 0.912 20 0 GCADMP CC(=O)N1CC[NH+]([C@@H]2CN(C(=O)NC[C@H]3CCCC[N@@H+](C)C3)C[C@@H]2C)CC1 ZINC000624614291 1196677683 /nfs/dbraw/zinc/67/76/83/1196677683.db2.gz OITXBXDGJJVSLT-QXAKKESOSA-N 2 1 379.549 0.912 20 0 GCADMP CCCN(C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000645542650 1196689875 /nfs/dbraw/zinc/68/98/75/1196689875.db2.gz DLAOGWNMZULQHO-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000525684500 1196699773 /nfs/dbraw/zinc/69/97/73/1196699773.db2.gz UFDAKFOXFMEOBD-OKZBNKHCSA-N 2 1 379.549 0.199 20 0 GCADMP OC(CN1CCOCC2(CCOCC2)C1)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000447309890 1196706471 /nfs/dbraw/zinc/70/64/71/1196706471.db2.gz SDVRUHZDFZNDCU-UHFFFAOYSA-N 2 1 398.544 0.605 20 0 GCADMP C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]([NH3+])c1ccccc1I ZINC001357967642 1196709081 /nfs/dbraw/zinc/70/90/81/1196709081.db2.gz ZIORNTCKWKDQTA-JOYOIKCWSA-N 2 1 377.226 0.330 20 0 GCADMP CCOC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525779750 1196709336 /nfs/dbraw/zinc/70/93/36/1196709336.db2.gz BOXXWWSOEPBSKV-IBGZPJMESA-N 2 1 394.560 0.888 20 0 GCADMP CCOC(=O)C1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000525779750 1196709341 /nfs/dbraw/zinc/70/93/41/1196709341.db2.gz BOXXWWSOEPBSKV-IBGZPJMESA-N 2 1 394.560 0.888 20 0 GCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000526088578 1196739318 /nfs/dbraw/zinc/73/93/18/1196739318.db2.gz LLNFXLVHMJPOQG-OAHLLOKOSA-N 2 1 376.505 0.936 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000448149281 1196777589 /nfs/dbraw/zinc/77/75/89/1196777589.db2.gz VFUKJFMIKGQBAZ-GOSISDBHSA-N 2 1 383.581 0.796 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000448149281 1196777593 /nfs/dbraw/zinc/77/75/93/1196777593.db2.gz VFUKJFMIKGQBAZ-GOSISDBHSA-N 2 1 383.581 0.796 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000448149281 1196777596 /nfs/dbraw/zinc/77/75/96/1196777596.db2.gz VFUKJFMIKGQBAZ-GOSISDBHSA-N 2 1 383.581 0.796 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCN(CCO)CC2)[C@@H](C)C1 ZINC000448519522 1196809436 /nfs/dbraw/zinc/80/94/36/1196809436.db2.gz DWNRGEBOOWIOKX-OALUTQOASA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000448519522 1196809443 /nfs/dbraw/zinc/80/94/43/1196809443.db2.gz DWNRGEBOOWIOKX-OALUTQOASA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCN2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000448519522 1196809448 /nfs/dbraw/zinc/80/94/48/1196809448.db2.gz DWNRGEBOOWIOKX-OALUTQOASA-N 2 1 383.581 0.748 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnn(-c2cnn(C)c2)c1C ZINC000448855482 1196834890 /nfs/dbraw/zinc/83/48/90/1196834890.db2.gz YZJLRQIIJXLTSH-MRXNPFEDSA-N 2 1 388.520 0.797 20 0 GCADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000897359055 1196905343 /nfs/dbraw/zinc/90/53/43/1196905343.db2.gz KOMWOWCEJLEYIG-GOSISDBHSA-N 2 1 394.560 0.936 20 0 GCADMP CC1[C@@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000450482816 1196929653 /nfs/dbraw/zinc/92/96/53/1196929653.db2.gz DDRZGPNZSNPWQP-GFLQDLJJSA-N 2 1 388.556 0.974 20 0 GCADMP C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000450482817 1196929899 /nfs/dbraw/zinc/92/98/99/1196929899.db2.gz DDRZGPNZSNPWQP-MQOFPFBISA-N 2 1 388.556 0.974 20 0 GCADMP C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000450482817 1196929900 /nfs/dbraw/zinc/92/99/00/1196929900.db2.gz DDRZGPNZSNPWQP-MQOFPFBISA-N 2 1 388.556 0.974 20 0 GCADMP CC(C)Nc1nc(N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000450814771 1196956021 /nfs/dbraw/zinc/95/60/21/1196956021.db2.gz WEAMPKFTIOLRAS-KRWDZBQOSA-N 2 1 399.543 0.898 20 0 GCADMP CC(C)Nc1nc(N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)nc(NCCO)[nH+]1 ZINC000450814771 1196956023 /nfs/dbraw/zinc/95/60/23/1196956023.db2.gz WEAMPKFTIOLRAS-KRWDZBQOSA-N 2 1 399.543 0.898 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391038346 1196960370 /nfs/dbraw/zinc/96/03/70/1196960370.db2.gz QCAYNIUDOIZHMN-HKUYNNGSSA-N 2 1 376.501 0.493 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 ZINC000530326468 1196978728 /nfs/dbraw/zinc/97/87/28/1196978728.db2.gz RBUWQHJSQNPSTL-UHFFFAOYSA-N 2 1 395.467 0.417 20 0 GCADMP CO[C@H](CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C)CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897366041 1197049633 /nfs/dbraw/zinc/04/96/33/1197049633.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 2 1 382.549 0.979 20 0 GCADMP CO[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897366041 1197049638 /nfs/dbraw/zinc/04/96/38/1197049638.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 2 1 382.549 0.979 20 0 GCADMP CO[C@H](CNC(=O)[C@H]1CC[NH+]1C(C)(C)C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897366041 1197049642 /nfs/dbraw/zinc/04/96/42/1197049642.db2.gz HVRHYCLDEPSTDC-PHZGNYQRSA-N 2 1 382.549 0.979 20 0 GCADMP CC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000531684040 1197092331 /nfs/dbraw/zinc/09/23/31/1197092331.db2.gz WFFPFIYLXYAWBR-ZWKOTPCHSA-N 2 1 395.573 0.853 20 0 GCADMP CC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000531684040 1197092336 /nfs/dbraw/zinc/09/23/36/1197092336.db2.gz WFFPFIYLXYAWBR-ZWKOTPCHSA-N 2 1 395.573 0.853 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000531759062 1197095220 /nfs/dbraw/zinc/09/52/20/1197095220.db2.gz DWVWILKWQNLGAM-OALUTQOASA-N 2 1 381.565 0.691 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000532027648 1197107265 /nfs/dbraw/zinc/10/72/65/1197107265.db2.gz ZIHOYILOPKJJQD-MOPGFXCFSA-N 2 1 381.565 0.689 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CC1 ZINC000532135687 1197116735 /nfs/dbraw/zinc/11/67/35/1197116735.db2.gz SLKKYHHVYBRDTE-UHFFFAOYSA-N 2 1 383.537 0.074 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532170875 1197123148 /nfs/dbraw/zinc/12/31/48/1197123148.db2.gz KQHOHOMRAZTKMN-ULQDDVLXSA-N 2 1 381.521 0.269 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000532170875 1197123149 /nfs/dbraw/zinc/12/31/49/1197123149.db2.gz KQHOHOMRAZTKMN-ULQDDVLXSA-N 2 1 381.521 0.269 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000453805519 1197139199 /nfs/dbraw/zinc/13/91/99/1197139199.db2.gz LSGIYXAVERJQAU-QGZVFWFLSA-N 2 1 376.501 0.692 20 0 GCADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CN1CCN1CCOCC1 ZINC000655730817 1197150521 /nfs/dbraw/zinc/15/05/21/1197150521.db2.gz UFNUMUPUYCLCCC-MOPGFXCFSA-N 2 1 380.533 0.153 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)O1 ZINC000986261001 1197161915 /nfs/dbraw/zinc/16/19/15/1197161915.db2.gz XFPPEEZZNNDSIY-ZJPYXAASSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]3C2)O1 ZINC000986261001 1197161917 /nfs/dbraw/zinc/16/19/17/1197161917.db2.gz XFPPEEZZNNDSIY-ZJPYXAASSA-N 2 1 392.544 0.497 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000188710312 1197233376 /nfs/dbraw/zinc/23/33/76/1197233376.db2.gz VKOXYXSVEOOARJ-KZNAEPCWSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000188710312 1197233378 /nfs/dbraw/zinc/23/33/78/1197233378.db2.gz VKOXYXSVEOOARJ-KZNAEPCWSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1=O ZINC000188710312 1197233381 /nfs/dbraw/zinc/23/33/81/1197233381.db2.gz VKOXYXSVEOOARJ-KZNAEPCWSA-N 2 1 394.560 0.623 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000671146955 1197257569 /nfs/dbraw/zinc/25/75/69/1197257569.db2.gz IKQNDUGKWHUVRI-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000671146955 1197257574 /nfs/dbraw/zinc/25/75/74/1197257574.db2.gz IKQNDUGKWHUVRI-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H]1CC[N@H+](CCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897435191 1197283206 /nfs/dbraw/zinc/28/32/06/1197283206.db2.gz IDBCQIAXYSJWLY-KRWDZBQOSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@H]1CC[N@@H+](CCNC(=O)N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000897435191 1197283209 /nfs/dbraw/zinc/28/32/09/1197283209.db2.gz IDBCQIAXYSJWLY-KRWDZBQOSA-N 2 1 379.549 0.914 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000729610176 1197308389 /nfs/dbraw/zinc/30/83/89/1197308389.db2.gz DODWOKQGHXQQBE-ULQDDVLXSA-N 2 1 381.521 0.092 20 0 GCADMP C[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000170956750 1197308552 /nfs/dbraw/zinc/30/85/52/1197308552.db2.gz BZHUPIXMTUNWQV-GDBMZVCRSA-N 2 1 387.488 0.247 20 0 GCADMP CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001708546310 1197314795 /nfs/dbraw/zinc/31/47/95/1197314795.db2.gz JLWRQPNJPJSHTJ-IAGOWNOFSA-N 2 1 380.537 0.891 20 0 GCADMP CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@H]3C2)n1CCOCC[NH+](C)C ZINC001708546310 1197314799 /nfs/dbraw/zinc/31/47/99/1197314799.db2.gz JLWRQPNJPJSHTJ-IAGOWNOFSA-N 2 1 380.537 0.891 20 0 GCADMP CC[C@@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001708546312 1197315074 /nfs/dbraw/zinc/31/50/74/1197315074.db2.gz JLWRQPNJPJSHTJ-SJORKVTESA-N 2 1 380.537 0.891 20 0 GCADMP CC[C@@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001708546312 1197315079 /nfs/dbraw/zinc/31/50/79/1197315079.db2.gz JLWRQPNJPJSHTJ-SJORKVTESA-N 2 1 380.537 0.891 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000666631045 1197315096 /nfs/dbraw/zinc/31/50/96/1197315096.db2.gz GTXNCTDIADTWMJ-QGZVFWFLSA-N 2 1 394.541 0.580 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000105323496 1197326303 /nfs/dbraw/zinc/32/63/03/1197326303.db2.gz RIXJFZBYJPEXRH-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C(=C/C[N@@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129142545 1197364852 /nfs/dbraw/zinc/36/48/52/1197364852.db2.gz MDIQYDHKULHURM-XFDDJKQHSA-N 2 1 392.588 0.851 20 0 GCADMP C(=C/C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000129142545 1197364854 /nfs/dbraw/zinc/36/48/54/1197364854.db2.gz MDIQYDHKULHURM-XFDDJKQHSA-N 2 1 392.588 0.851 20 0 GCADMP C(=C/C[N@H+]1CC[C@@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000129142545 1197364856 /nfs/dbraw/zinc/36/48/56/1197364856.db2.gz MDIQYDHKULHURM-XFDDJKQHSA-N 2 1 392.588 0.851 20 0 GCADMP CC(C[NH+]1CCC[C@H](N2CCNC2=O)C1)C[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663991 1197366806 /nfs/dbraw/zinc/36/68/06/1197366806.db2.gz SZKUUJBDMHJYDK-ROUUACIJSA-N 2 1 392.548 0.602 20 0 GCADMP CC(C[NH+]1CCC[C@H](N2CCNC2=O)C1)C[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000532663991 1197366810 /nfs/dbraw/zinc/36/68/10/1197366810.db2.gz SZKUUJBDMHJYDK-ROUUACIJSA-N 2 1 392.548 0.602 20 0 GCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCCC[NH+]2CCOCC2)CC1 ZINC000105070216 1197371975 /nfs/dbraw/zinc/37/19/75/1197371975.db2.gz CEFGDVGKINGXKY-OALUTQOASA-N 2 1 381.565 0.909 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418878953 1197390867 /nfs/dbraw/zinc/39/08/67/1197390867.db2.gz MOYXNOLSOBDHLL-ZYSHUDEJSA-N 2 1 388.512 0.598 20 0 GCADMP COc1cc(C[NH2+]C[C@H]2CN3CCC[C@H]3CO2)cc(OC)c1OCC(N)=O ZINC000729684258 1197397442 /nfs/dbraw/zinc/39/74/42/1197397442.db2.gz NEBMZJOZGQIPPN-GJZGRUSLSA-N 2 1 379.457 0.521 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000194012605 1197397997 /nfs/dbraw/zinc/39/79/97/1197397997.db2.gz ORHALWKTAREREV-LJQANCHMSA-N 2 1 387.528 0.972 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194012605 1197397999 /nfs/dbraw/zinc/39/79/99/1197397999.db2.gz ORHALWKTAREREV-LJQANCHMSA-N 2 1 387.528 0.972 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)NC(=O)[C@H]1CC[NH+]1C(C)(C)C ZINC000897499533 1197413507 /nfs/dbraw/zinc/41/35/07/1197413507.db2.gz IULKDRSJKDDPHJ-HRCADAONSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897499533 1197413508 /nfs/dbraw/zinc/41/35/08/1197413508.db2.gz IULKDRSJKDDPHJ-HRCADAONSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897499533 1197413509 /nfs/dbraw/zinc/41/35/09/1197413509.db2.gz IULKDRSJKDDPHJ-HRCADAONSA-N 2 1 382.549 0.979 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000454482812 1197417359 /nfs/dbraw/zinc/41/73/59/1197417359.db2.gz OPMFWYPUTMQCSY-GOSISDBHSA-N 2 1 395.548 0.470 20 0 GCADMP CC(C[NH+]1CC[C@H](CN2CCOCC2)C1)C[N@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000532973458 1197424685 /nfs/dbraw/zinc/42/46/85/1197424685.db2.gz DMBYRGPANFGQMX-FGZHOGPDSA-N 2 1 394.604 0.931 20 0 GCADMP Cc1nc[nH]c1CC(=O)N(C)CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000614866343 1197447747 /nfs/dbraw/zinc/44/77/47/1197447747.db2.gz UDORQKOGVNFCNR-UHFFFAOYSA-N 2 1 383.452 0.947 20 0 GCADMP Cc1nc[nH]c1CC(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O ZINC000614866343 1197447752 /nfs/dbraw/zinc/44/77/52/1197447752.db2.gz UDORQKOGVNFCNR-UHFFFAOYSA-N 2 1 383.452 0.947 20 0 GCADMP COC(=O)CNC(=O)[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000533484704 1197454843 /nfs/dbraw/zinc/45/48/43/1197454843.db2.gz QZOFBFSWSXXBKQ-MRXNPFEDSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000533570985 1197459074 /nfs/dbraw/zinc/45/90/74/1197459074.db2.gz CNKMSLQORRNDDM-XKGZKEIXSA-N 2 1 378.517 0.888 20 0 GCADMP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000533570985 1197459075 /nfs/dbraw/zinc/45/90/75/1197459075.db2.gz CNKMSLQORRNDDM-XKGZKEIXSA-N 2 1 378.517 0.888 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000248912344 1197480625 /nfs/dbraw/zinc/48/06/25/1197480625.db2.gz VOHVJPNQVLJZBW-SLYNCCJLSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000248912344 1197480628 /nfs/dbraw/zinc/48/06/28/1197480628.db2.gz VOHVJPNQVLJZBW-SLYNCCJLSA-N 2 1 390.528 0.889 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412043 1197482141 /nfs/dbraw/zinc/48/21/41/1197482141.db2.gz VKOXYXSVEOOARJ-OKZBNKHCSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412043 1197482144 /nfs/dbraw/zinc/48/21/44/1197482144.db2.gz VKOXYXSVEOOARJ-OKZBNKHCSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1=O ZINC000249412043 1197482146 /nfs/dbraw/zinc/48/21/46/1197482146.db2.gz VKOXYXSVEOOARJ-OKZBNKHCSA-N 2 1 394.560 0.623 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000614909693 1197486602 /nfs/dbraw/zinc/48/66/02/1197486602.db2.gz WFRHVHUKHFJNEZ-MSOLQXFVSA-N 2 1 379.549 0.215 20 0 GCADMP O=C1COc2ccc(S(=O)(=O)N3CC[NH+](CC4CC[NH2+]CC4)CC3)cc2N1 ZINC000261743721 1197512810 /nfs/dbraw/zinc/51/28/10/1197512810.db2.gz MWDOJSGBXGSSCN-UHFFFAOYSA-N 2 1 394.497 0.323 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261794583 1197515312 /nfs/dbraw/zinc/51/53/12/1197515312.db2.gz IKCAJBBYOKWLCC-HZPDHXFCSA-N 2 1 391.516 0.431 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916389 1197519013 /nfs/dbraw/zinc/51/90/13/1197519013.db2.gz UKWGRCOLFMHBDO-HOCLYGCPSA-N 2 1 388.468 0.934 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916389 1197519016 /nfs/dbraw/zinc/51/90/16/1197519016.db2.gz UKWGRCOLFMHBDO-HOCLYGCPSA-N 2 1 388.468 0.934 20 0 GCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261917992 1197519462 /nfs/dbraw/zinc/51/94/62/1197519462.db2.gz USRUJAAXRLGGNX-IKGGRYGDSA-N 2 1 388.516 0.496 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928694 1197519693 /nfs/dbraw/zinc/51/96/93/1197519693.db2.gz WABQHUVRSNQUOD-NVXWUHKLSA-N 2 1 387.484 0.915 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928694 1197519694 /nfs/dbraw/zinc/51/96/94/1197519694.db2.gz WABQHUVRSNQUOD-NVXWUHKLSA-N 2 1 387.484 0.915 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1OC ZINC000261981824 1197521488 /nfs/dbraw/zinc/52/14/88/1197521488.db2.gz CCWZMSUNPXYUSF-UHFFFAOYSA-N 2 1 390.484 0.284 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000262003473 1197522289 /nfs/dbraw/zinc/52/22/89/1197522289.db2.gz DURKYLCHPBHHST-UHFFFAOYSA-N 2 1 378.904 0.849 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)Cc2cccc(Cl)c2)CC1)N1CC[NH2+]CC1 ZINC000262021019 1197522519 /nfs/dbraw/zinc/52/25/19/1197522519.db2.gz GCONFNQYAFQUFQ-UHFFFAOYSA-N 2 1 378.904 0.849 20 0 GCADMP CO[C@H](C)c1noc(CN2CCC[N@@H+](CCC(=O)N3CC[NH2+]CC3)CC2)n1 ZINC000262063288 1197524233 /nfs/dbraw/zinc/52/42/33/1197524233.db2.gz JFVMCCCZNCWOFS-OAHLLOKOSA-N 2 1 380.493 0.107 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OCC(N)=O ZINC000262105553 1197525543 /nfs/dbraw/zinc/52/55/43/1197525543.db2.gz JLQGMOYIYDSAJW-AWEZNQCLSA-N 2 1 382.892 0.692 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(Cl)c1OCC(N)=O ZINC000262105553 1197525548 /nfs/dbraw/zinc/52/55/48/1197525548.db2.gz JLQGMOYIYDSAJW-AWEZNQCLSA-N 2 1 382.892 0.692 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(OC)c1OCC(N)=O ZINC000262136815 1197525750 /nfs/dbraw/zinc/52/57/50/1197525750.db2.gz OVGPFSKPBUTFKM-OAHLLOKOSA-N 2 1 378.473 0.047 20 0 GCADMP CC1CCC(NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000262246325 1197527598 /nfs/dbraw/zinc/52/75/98/1197527598.db2.gz WOFQYWQOHNAWQL-UHFFFAOYSA-N 2 1 379.549 0.121 20 0 GCADMP COC[C@H]([NH3+])C(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000262378936 1197531560 /nfs/dbraw/zinc/53/15/60/1197531560.db2.gz XNNPXQXJDMFBLJ-SFHVURJKSA-N 2 1 376.501 0.447 20 0 GCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000999562387 1198948961 /nfs/dbraw/zinc/94/89/61/1198948961.db2.gz UNGBNTQYLSXBIW-OWSLCNJRSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+]2CCCC2)C1 ZINC000999562387 1198948964 /nfs/dbraw/zinc/94/89/64/1198948964.db2.gz UNGBNTQYLSXBIW-OWSLCNJRSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008613 1199000730 /nfs/dbraw/zinc/00/07/30/1199000730.db2.gz AUCHQISLHDDNKJ-WMZOPIPTSA-N 2 1 379.549 0.071 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)C1 ZINC000656028637 1199065576 /nfs/dbraw/zinc/06/55/76/1199065576.db2.gz NZTBEZPTMQTUSI-QQXKLLMISA-N 2 1 392.544 0.864 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)C1 ZINC000656028636 1199065745 /nfs/dbraw/zinc/06/57/45/1199065745.db2.gz NZTBEZPTMQTUSI-NNIGNNQHSA-N 2 1 392.544 0.864 20 0 GCADMP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@](C)(O)C[NH+]1CCOCC1 ZINC000465801807 1199070640 /nfs/dbraw/zinc/07/06/40/1199070640.db2.gz AWPDQOZFRALSBD-HXUWFJFHSA-N 2 1 394.516 0.509 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828592 1199077671 /nfs/dbraw/zinc/07/76/71/1199077671.db2.gz CCCJTLYMABQQMA-ROUUACIJSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828592 1199077677 /nfs/dbraw/zinc/07/76/77/1199077677.db2.gz CCCJTLYMABQQMA-ROUUACIJSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828592 1199077682 /nfs/dbraw/zinc/07/76/82/1199077682.db2.gz CCCJTLYMABQQMA-ROUUACIJSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828593 1199078239 /nfs/dbraw/zinc/07/82/39/1199078239.db2.gz CCCJTLYMABQQMA-ZWKOTPCHSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828593 1199078244 /nfs/dbraw/zinc/07/82/44/1199078244.db2.gz CCCJTLYMABQQMA-ZWKOTPCHSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828593 1199078251 /nfs/dbraw/zinc/07/82/51/1199078251.db2.gz CCCJTLYMABQQMA-ZWKOTPCHSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@](O)(CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C[NH+]1CCOCC1 ZINC000465854135 1199087687 /nfs/dbraw/zinc/08/76/87/1199087687.db2.gz FYGWJRSWHZKFTO-SFHVURJKSA-N 2 1 384.521 0.014 20 0 GCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000627307723 1199156654 /nfs/dbraw/zinc/15/66/54/1199156654.db2.gz VDNGRXRDFPMTOU-GXTWGEPZSA-N 2 1 378.439 0.963 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204401 1199159742 /nfs/dbraw/zinc/15/97/42/1199159742.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204401 1199159747 /nfs/dbraw/zinc/15/97/47/1199159747.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204401 1199159749 /nfs/dbraw/zinc/15/97/49/1199159749.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672204401 1199159755 /nfs/dbraw/zinc/15/97/55/1199159755.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672204401 1199159757 /nfs/dbraw/zinc/15/97/57/1199159757.db2.gz UIGRAGUVMFGMPP-WMZOPIPTSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206937 1199160494 /nfs/dbraw/zinc/16/04/94/1199160494.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206937 1199160497 /nfs/dbraw/zinc/16/04/97/1199160497.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206937 1199160499 /nfs/dbraw/zinc/16/04/99/1199160499.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206937 1199160501 /nfs/dbraw/zinc/16/05/01/1199160501.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206937 1199160504 /nfs/dbraw/zinc/16/05/04/1199160504.db2.gz AXCOYTODSOXOQE-YJBOKZPZSA-N 3 1 379.549 0.212 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CC2)CC1 ZINC000672305677 1199198334 /nfs/dbraw/zinc/19/83/34/1199198334.db2.gz YRNULPWUDUQHHF-LJQANCHMSA-N 2 1 391.560 0.073 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)ccn1 ZINC000672310782 1199202875 /nfs/dbraw/zinc/20/28/75/1199202875.db2.gz HXUBXXSLMQJINU-QGZVFWFLSA-N 2 1 389.500 0.239 20 0 GCADMP C[NH+](C)CCCOC1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672308943 1199204190 /nfs/dbraw/zinc/20/41/90/1199204190.db2.gz FBOMCFFXFRBQQT-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794753 1199218857 /nfs/dbraw/zinc/21/88/57/1199218857.db2.gz AOBBEGZEHYLYLC-LPHOPBHVSA-N 2 1 395.507 0.918 20 0 GCADMP CO[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001212451034 1199227029 /nfs/dbraw/zinc/22/70/29/1199227029.db2.gz KQBAMJAHTYBWJZ-VBSBHUPXSA-N 2 1 391.512 0.738 20 0 GCADMP CO[C@@H]1CN(CCOCc2ccccc2)C[C@H]1NC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001212451034 1199227030 /nfs/dbraw/zinc/22/70/30/1199227030.db2.gz KQBAMJAHTYBWJZ-VBSBHUPXSA-N 2 1 391.512 0.738 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000672470637 1199242687 /nfs/dbraw/zinc/24/26/87/1199242687.db2.gz RMUDHAUDCOIUGC-AEFFLSMTSA-N 2 1 386.537 0.474 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000672470637 1199242692 /nfs/dbraw/zinc/24/26/92/1199242692.db2.gz RMUDHAUDCOIUGC-AEFFLSMTSA-N 2 1 386.537 0.474 20 0 GCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638552 1199288589 /nfs/dbraw/zinc/28/85/89/1199288589.db2.gz UEGCAJHBSXXIIK-QGZVFWFLSA-N 2 1 381.565 0.461 20 0 GCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638552 1199288594 /nfs/dbraw/zinc/28/85/94/1199288594.db2.gz UEGCAJHBSXXIIK-QGZVFWFLSA-N 2 1 381.565 0.461 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672637817 1199292006 /nfs/dbraw/zinc/29/20/06/1199292006.db2.gz CUKKXEIDGBRUIM-FUHWJXTLSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672637817 1199292010 /nfs/dbraw/zinc/29/20/10/1199292010.db2.gz CUKKXEIDGBRUIM-FUHWJXTLSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672640497 1199294041 /nfs/dbraw/zinc/29/40/41/1199294041.db2.gz WAEXZAMXGSRGCS-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672640497 1199294044 /nfs/dbraw/zinc/29/40/44/1199294044.db2.gz WAEXZAMXGSRGCS-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640240 1199296348 /nfs/dbraw/zinc/29/63/48/1199296348.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640240 1199296353 /nfs/dbraw/zinc/29/63/53/1199296353.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640240 1199296357 /nfs/dbraw/zinc/29/63/57/1199296357.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640240 1199296358 /nfs/dbraw/zinc/29/63/58/1199296358.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640240 1199296360 /nfs/dbraw/zinc/29/63/60/1199296360.db2.gz YDHZVODNMOJDQX-DLBZAZTESA-N 2 1 379.549 0.071 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641028 1199298113 /nfs/dbraw/zinc/29/81/13/1199298113.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641028 1199298117 /nfs/dbraw/zinc/29/81/17/1199298117.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641028 1199298124 /nfs/dbraw/zinc/29/81/24/1199298124.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641028 1199298128 /nfs/dbraw/zinc/29/81/28/1199298128.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641028 1199298132 /nfs/dbraw/zinc/29/81/32/1199298132.db2.gz KDNCJZSXYOZXFK-JENIJYKNSA-N 2 1 391.560 0.214 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640968 1199299344 /nfs/dbraw/zinc/29/93/44/1199299344.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640968 1199299346 /nfs/dbraw/zinc/29/93/46/1199299346.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640968 1199299351 /nfs/dbraw/zinc/29/93/51/1199299351.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640968 1199299355 /nfs/dbraw/zinc/29/93/55/1199299355.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640968 1199299356 /nfs/dbraw/zinc/29/93/56/1199299356.db2.gz HSVQAMYJFVJVAC-ZWKOTPCHSA-N 2 1 393.576 0.604 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302414 /nfs/dbraw/zinc/30/24/14/1199302414.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302419 /nfs/dbraw/zinc/30/24/19/1199302419.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[NH+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302423 /nfs/dbraw/zinc/30/24/23/1199302423.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[N@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302428 /nfs/dbraw/zinc/30/24/28/1199302428.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 2 1 393.576 0.508 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)C2)CC1 ZINC000672643395 1199302432 /nfs/dbraw/zinc/30/24/32/1199302432.db2.gz XAWGBVBPZDDKNR-AEFFLSMTSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642954 1199302760 /nfs/dbraw/zinc/30/27/60/1199302760.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642954 1199302763 /nfs/dbraw/zinc/30/27/63/1199302763.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000672642954 1199302768 /nfs/dbraw/zinc/30/27/68/1199302768.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000672642954 1199302776 /nfs/dbraw/zinc/30/27/76/1199302776.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 2 1 393.576 0.508 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000672642954 1199302782 /nfs/dbraw/zinc/30/27/82/1199302782.db2.gz YNFGHJIABVSBOJ-SQNIBIBYSA-N 2 1 393.576 0.508 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000672690355 1199316600 /nfs/dbraw/zinc/31/66/00/1199316600.db2.gz CJJXPXGDTCDJHS-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000672690355 1199316601 /nfs/dbraw/zinc/31/66/01/1199316601.db2.gz CJJXPXGDTCDJHS-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)CN1CC[NH+](C)CC1 ZINC000466001445 1199335471 /nfs/dbraw/zinc/33/54/71/1199335471.db2.gz XDXCMHICZPWJDI-QZTJIDSGSA-N 2 1 381.565 0.670 20 0 GCADMP C[NH+]1CCC2(CCCN2C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000672854547 1199352298 /nfs/dbraw/zinc/35/22/98/1199352298.db2.gz QATVCAMGUGLDDT-UHFFFAOYSA-N 2 1 379.549 0.215 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)CC1(C)C ZINC000672854507 1199352614 /nfs/dbraw/zinc/35/26/14/1199352614.db2.gz HLPQLINSUCVOCT-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672869733 1199355964 /nfs/dbraw/zinc/35/59/64/1199355964.db2.gz DXAJANAYGBGELG-RDJZCZTQSA-N 2 1 380.533 0.687 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCOC(C)(C)C1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672869733 1199355968 /nfs/dbraw/zinc/35/59/68/1199355968.db2.gz DXAJANAYGBGELG-RDJZCZTQSA-N 2 1 380.533 0.687 20 0 GCADMP C[NH+](C)C1(CNC(=O)NC[C@@](C)(O)C[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000466020367 1199362699 /nfs/dbraw/zinc/36/26/99/1199362699.db2.gz YPOLCQVKENSPQK-HXUWFJFHSA-N 2 1 390.528 0.468 20 0 GCADMP CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@H+]1CCO ZINC000673011910 1199394284 /nfs/dbraw/zinc/39/42/84/1199394284.db2.gz DWUJKJCEMFKMOR-IBGZPJMESA-N 2 1 390.528 0.851 20 0 GCADMP CC1(C)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH+]1CCO ZINC000673011910 1199394287 /nfs/dbraw/zinc/39/42/87/1199394287.db2.gz DWUJKJCEMFKMOR-IBGZPJMESA-N 2 1 390.528 0.851 20 0 GCADMP CC1(C)CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)CC[NH+]1CCO ZINC000673011910 1199394290 /nfs/dbraw/zinc/39/42/90/1199394290.db2.gz DWUJKJCEMFKMOR-IBGZPJMESA-N 2 1 390.528 0.851 20 0 GCADMP CC1(C)CN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@H+]1CCO ZINC000673011911 1199394754 /nfs/dbraw/zinc/39/47/54/1199394754.db2.gz DWUJKJCEMFKMOR-LJQANCHMSA-N 2 1 390.528 0.851 20 0 GCADMP CC1(C)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH+]1CCO ZINC000673011911 1199394759 /nfs/dbraw/zinc/39/47/59/1199394759.db2.gz DWUJKJCEMFKMOR-LJQANCHMSA-N 2 1 390.528 0.851 20 0 GCADMP CC1(C)CN(C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC[NH+]1CCO ZINC000673011911 1199394764 /nfs/dbraw/zinc/39/47/64/1199394764.db2.gz DWUJKJCEMFKMOR-LJQANCHMSA-N 2 1 390.528 0.851 20 0 GCADMP C(=C\C[N@@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@@H](CN2CCOCC2)C1 ZINC000255594383 1199397659 /nfs/dbraw/zinc/39/76/59/1199397659.db2.gz MDIQYDHKULHURM-LJLUTMTPSA-N 2 1 392.588 0.851 20 0 GCADMP C(=C\C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000255594383 1199397665 /nfs/dbraw/zinc/39/76/65/1199397665.db2.gz MDIQYDHKULHURM-LJLUTMTPSA-N 2 1 392.588 0.851 20 0 GCADMP C(=C\C[N@H+]1CC[C@@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000255594383 1199397669 /nfs/dbraw/zinc/39/76/69/1199397669.db2.gz MDIQYDHKULHURM-LJLUTMTPSA-N 2 1 392.588 0.851 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627342670 1199465957 /nfs/dbraw/zinc/46/59/57/1199465957.db2.gz MOKQKTDRZXLRFV-FUHWJXTLSA-N 2 1 376.501 0.447 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224135 1199488208 /nfs/dbraw/zinc/48/82/08/1199488208.db2.gz KKTCWSOXNSGCMP-FUHWJXTLSA-N 2 1 395.592 0.706 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000673224135 1199488210 /nfs/dbraw/zinc/48/82/10/1199488210.db2.gz KKTCWSOXNSGCMP-FUHWJXTLSA-N 2 1 395.592 0.706 20 0 GCADMP CCOCCN1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000673275924 1199512118 /nfs/dbraw/zinc/51/21/18/1199512118.db2.gz BGNAXTVOXVRCDF-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC(C)(C)C[NH+]3CCCC3)CC2)C1 ZINC000673275239 1199512204 /nfs/dbraw/zinc/51/22/04/1199512204.db2.gz OXDQOAWDIXBZSH-GOSISDBHSA-N 2 1 393.576 0.463 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673276308 1199515914 /nfs/dbraw/zinc/51/59/14/1199515914.db2.gz BWPQNAGBABNKSV-MAUKXSAKSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673276308 1199515919 /nfs/dbraw/zinc/51/59/19/1199515919.db2.gz BWPQNAGBABNKSV-MAUKXSAKSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307633 1199532385 /nfs/dbraw/zinc/53/23/85/1199532385.db2.gz BPCQWKPQNWGSHO-OALUTQOASA-N 2 1 393.576 0.606 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000673325584 1199540677 /nfs/dbraw/zinc/54/06/77/1199540677.db2.gz BCMWPGXYEGIWJX-HKUYNNGSSA-N 2 1 390.528 0.802 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427679 1199630189 /nfs/dbraw/zinc/63/01/89/1199630189.db2.gz IQMFMVCNDQNVPW-MSOLQXFVSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)O1 ZINC001003707584 1199642402 /nfs/dbraw/zinc/64/24/02/1199642402.db2.gz HPIBVXUKPRSDPA-NPIHVYMDSA-N 2 1 397.479 0.915 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc3c[nH+]cn3c2)O1 ZINC001003707584 1199642404 /nfs/dbraw/zinc/64/24/04/1199642404.db2.gz HPIBVXUKPRSDPA-NPIHVYMDSA-N 2 1 397.479 0.915 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446531 1199664604 /nfs/dbraw/zinc/66/46/04/1199664604.db2.gz CSWHPQLQJDPPCX-HZPDHXFCSA-N 2 1 382.574 0.921 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446531 1199664607 /nfs/dbraw/zinc/66/46/07/1199664607.db2.gz CSWHPQLQJDPPCX-HZPDHXFCSA-N 2 1 382.574 0.921 20 0 GCADMP C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@H]1C[N@H+](C)CCO1 ZINC000673559336 1199798903 /nfs/dbraw/zinc/79/89/03/1199798903.db2.gz QHMLUHZGHILZGN-MAUKXSAKSA-N 2 1 379.505 0.930 20 0 GCADMP C[C@H](NC(=O)NCc1ccncc1OCCC[NH+](C)C)[C@H]1C[N@@H+](C)CCO1 ZINC000673559336 1199798905 /nfs/dbraw/zinc/79/89/05/1199798905.db2.gz QHMLUHZGHILZGN-MAUKXSAKSA-N 2 1 379.505 0.930 20 0 GCADMP C[NH+](C)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000124989626 1199865117 /nfs/dbraw/zinc/86/51/17/1199865117.db2.gz AURMEQZIIOCWJA-UHFFFAOYSA-N 2 1 387.484 0.590 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925810 /nfs/dbraw/zinc/92/58/10/1199925810.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 2 1 386.540 0.908 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925812 /nfs/dbraw/zinc/92/58/12/1199925812.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925814 /nfs/dbraw/zinc/92/58/14/1199925814.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925816 /nfs/dbraw/zinc/92/58/16/1199925816.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668755 1199925818 /nfs/dbraw/zinc/92/58/18/1199925818.db2.gz IWJOLZLDXFKVQK-DENIHFKCSA-N 3 1 386.540 0.908 20 0 GCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000673669928 1199926196 /nfs/dbraw/zinc/92/61/96/1199926196.db2.gz SFIGRVJVHFEDLJ-IBGZPJMESA-N 2 1 387.528 0.962 20 0 GCADMP C[NH+](C)CCNC(=O)C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000673669928 1199926198 /nfs/dbraw/zinc/92/61/98/1199926198.db2.gz SFIGRVJVHFEDLJ-IBGZPJMESA-N 2 1 387.528 0.962 20 0 GCADMP CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000543578713 1200169317 /nfs/dbraw/zinc/16/93/17/1200169317.db2.gz WKIMXRVGSQTXHS-QZTJIDSGSA-N 2 1 380.533 0.548 20 0 GCADMP CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000543578713 1200169320 /nfs/dbraw/zinc/16/93/20/1200169320.db2.gz WKIMXRVGSQTXHS-QZTJIDSGSA-N 2 1 380.533 0.548 20 0 GCADMP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527054 1200406011 /nfs/dbraw/zinc/40/60/11/1200406011.db2.gz PZSWOTZHVMVZOF-SFHVURJKSA-N 2 1 394.560 0.986 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000670527054 1200406012 /nfs/dbraw/zinc/40/60/12/1200406012.db2.gz PZSWOTZHVMVZOF-SFHVURJKSA-N 2 1 394.560 0.986 20 0 GCADMP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064503 1200458987 /nfs/dbraw/zinc/45/89/87/1200458987.db2.gz IASMSFLCRJZBPD-OZZPGMFRSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C\CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064503 1200458990 /nfs/dbraw/zinc/45/89/90/1200458990.db2.gz IASMSFLCRJZBPD-OZZPGMFRSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064503 1200458992 /nfs/dbraw/zinc/45/89/92/1200458992.db2.gz IASMSFLCRJZBPD-OZZPGMFRSA-N 2 1 376.505 0.695 20 0 GCADMP CC/C=C\CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001129064503 1200458995 /nfs/dbraw/zinc/45/89/95/1200458995.db2.gz IASMSFLCRJZBPD-OZZPGMFRSA-N 2 1 376.505 0.695 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@H](C)C1 ZINC000675817656 1200461794 /nfs/dbraw/zinc/46/17/94/1200461794.db2.gz WLDBXGYPDBVENI-QZTJIDSGSA-N 2 1 390.594 0.290 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCN2CCN(S(C)(=O)=O)CC2)[C@@H](C)C1 ZINC000675817658 1200461897 /nfs/dbraw/zinc/46/18/97/1200461897.db2.gz WLDBXGYPDBVENI-ZWKOTPCHSA-N 2 1 390.594 0.290 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000676279930 1200527930 /nfs/dbraw/zinc/52/79/30/1200527930.db2.gz RAJXBJOXSIUERC-CXAGYDPISA-N 2 1 378.473 0.531 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000676279930 1200527940 /nfs/dbraw/zinc/52/79/40/1200527940.db2.gz RAJXBJOXSIUERC-CXAGYDPISA-N 2 1 378.473 0.531 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279762 1200530682 /nfs/dbraw/zinc/53/06/82/1200530682.db2.gz PVJFELKWQVLWLG-YJBOKZPZSA-N 2 1 392.500 0.709 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279762 1200530687 /nfs/dbraw/zinc/53/06/87/1200530687.db2.gz PVJFELKWQVLWLG-YJBOKZPZSA-N 2 1 392.500 0.709 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[NH+](C)CCO1 ZINC000676305704 1200541176 /nfs/dbraw/zinc/54/11/76/1200541176.db2.gz IKYQXLXBZKHDPB-IJXRJRJASA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[NH+](C)CCO1 ZINC000676305704 1200541182 /nfs/dbraw/zinc/54/11/82/1200541182.db2.gz IKYQXLXBZKHDPB-IJXRJRJASA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[N@H+](C)CCO1 ZINC000676305704 1200541189 /nfs/dbraw/zinc/54/11/89/1200541189.db2.gz IKYQXLXBZKHDPB-IJXRJRJASA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[N@@H+](C)CCO1 ZINC000676305704 1200541196 /nfs/dbraw/zinc/54/11/96/1200541196.db2.gz IKYQXLXBZKHDPB-IJXRJRJASA-N 2 1 390.528 0.888 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@H]3CCCO3)CC2)n1 ZINC000676546865 1200569601 /nfs/dbraw/zinc/56/96/01/1200569601.db2.gz SEBAXEDCFXPRMV-MRXNPFEDSA-N 2 1 392.504 0.097 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000369663404 1200630223 /nfs/dbraw/zinc/63/02/23/1200630223.db2.gz LFYKKGBEJWYMMD-UHFFFAOYSA-N 2 1 377.537 1.297 20 0 GCADMP C[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1CC(C)(C)O ZINC000369658769 1200694176 /nfs/dbraw/zinc/69/41/76/1200694176.db2.gz XKSRFHOYDHSFGG-HNNXBMFYSA-N 2 1 378.521 1.459 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@H](O)C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000625898011 1200866158 /nfs/dbraw/zinc/86/61/58/1200866158.db2.gz CYDSNPWYDKLKAU-INIZCTEOSA-N 2 1 377.489 0.159 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427544436 1200880235 /nfs/dbraw/zinc/88/02/35/1200880235.db2.gz RZMACGIOVGDGIS-HNNXBMFYSA-N 2 1 376.505 0.889 20 0 GCADMP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@@H](O)CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923267806 1200914544 /nfs/dbraw/zinc/91/45/44/1200914544.db2.gz HRZCZHRPHLUCIR-FFHOCLHESA-N 2 1 392.544 0.518 20 0 GCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](O)CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923267806 1200914549 /nfs/dbraw/zinc/91/45/49/1200914549.db2.gz HRZCZHRPHLUCIR-FFHOCLHESA-N 2 1 392.544 0.518 20 0 GCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](O)CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923267806 1200914553 /nfs/dbraw/zinc/91/45/53/1200914553.db2.gz HRZCZHRPHLUCIR-FFHOCLHESA-N 2 1 392.544 0.518 20 0 GCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)[nH+]c1 ZINC000417073619 1200938503 /nfs/dbraw/zinc/93/85/03/1200938503.db2.gz YHJHMVQCERQJDQ-QGZVFWFLSA-N 2 1 388.516 1.045 20 0 GCADMP NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369824 1200969224 /nfs/dbraw/zinc/96/92/24/1200969224.db2.gz PNJKIKICIKNDAL-IRXDYDNUSA-N 2 1 378.904 0.863 20 0 GCADMP NC(=O)[C@@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369823 1200969329 /nfs/dbraw/zinc/96/93/29/1200969329.db2.gz PNJKIKICIKNDAL-IAGOWNOFSA-N 2 1 378.904 0.863 20 0 GCADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000923483501 1201039907 /nfs/dbraw/zinc/03/99/07/1201039907.db2.gz BAEVPHOGKZOTLC-HNNXBMFYSA-N 2 1 398.504 0.329 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCO)C[C@H]2O)CC[N@H+]1C ZINC001079135794 1201247614 /nfs/dbraw/zinc/24/76/14/1201247614.db2.gz NEEDVOPDBSBRQS-MTQWCTHYSA-N 2 1 375.513 0.783 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001079135794 1201247625 /nfs/dbraw/zinc/24/76/25/1201247625.db2.gz NEEDVOPDBSBRQS-MTQWCTHYSA-N 2 1 375.513 0.783 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCO)C[C@H]2O)CC[NH+]1C ZINC001079135794 1201247628 /nfs/dbraw/zinc/24/76/28/1201247628.db2.gz NEEDVOPDBSBRQS-MTQWCTHYSA-N 2 1 375.513 0.783 20 0 GCADMP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[NH+](CCCO)C[C@H]2O)CC[N@H+]1C ZINC001079135978 1201247701 /nfs/dbraw/zinc/24/77/01/1201247701.db2.gz YQUHUTYHDIWURB-VBSBHUPXSA-N 2 1 375.513 0.783 20 0 GCADMP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001079135978 1201247706 /nfs/dbraw/zinc/24/77/06/1201247706.db2.gz YQUHUTYHDIWURB-VBSBHUPXSA-N 2 1 375.513 0.783 20 0 GCADMP C[C@@H]1[C@H](C(=O)N(Cc2ccccc2)[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC[NH+]1C ZINC001079135978 1201247710 /nfs/dbraw/zinc/24/77/10/1201247710.db2.gz YQUHUTYHDIWURB-VBSBHUPXSA-N 2 1 375.513 0.783 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(CC[NH+](CC(N)=O)CC3)[C@H]3COC[C@H]32)CC[N@@H+]1C ZINC001079243015 1201251892 /nfs/dbraw/zinc/25/18/92/1201251892.db2.gz GPIAFLPIQMFEST-MWDXBVQZSA-N 2 1 378.517 0.141 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC3(CC[NH+](CC(N)=O)CC3)[C@H]3COC[C@H]32)CC[N@H+]1C ZINC001079243015 1201251894 /nfs/dbraw/zinc/25/18/94/1201251894.db2.gz GPIAFLPIQMFEST-MWDXBVQZSA-N 2 1 378.517 0.141 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@@H](C)C1 ZINC000495365197 1201302574 /nfs/dbraw/zinc/30/25/74/1201302574.db2.gz ZUQCIXBLGLBREW-JKSUJKDBSA-N 2 1 383.537 0.026 20 0 GCADMP C[C@H](CCN1CCC[C@@H](N2CCNC2=O)C1)[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663803 1201367063 /nfs/dbraw/zinc/36/70/63/1201367063.db2.gz XKSIHNDSUQGBLO-KZNAEPCWSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663803 1201367067 /nfs/dbraw/zinc/36/70/67/1201367067.db2.gz XKSIHNDSUQGBLO-KZNAEPCWSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@H](CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000532663803 1201367072 /nfs/dbraw/zinc/36/70/72/1201367072.db2.gz XKSIHNDSUQGBLO-KZNAEPCWSA-N 2 1 392.548 0.744 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@@H](C)O1 ZINC000497513468 1201403694 /nfs/dbraw/zinc/40/36/94/1201403694.db2.gz ZPXIMOHDWURISN-JAKSCESISA-N 2 1 380.577 0.699 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@H+]1C ZINC001084357384 1201411610 /nfs/dbraw/zinc/41/16/10/1201411610.db2.gz YHMUKYMHYAJNSI-YYIAUSFCSA-N 2 1 376.501 0.398 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001084357384 1201411615 /nfs/dbraw/zinc/41/16/15/1201411615.db2.gz YHMUKYMHYAJNSI-YYIAUSFCSA-N 2 1 376.501 0.398 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001084357384 1201411620 /nfs/dbraw/zinc/41/16/20/1201411620.db2.gz YHMUKYMHYAJNSI-YYIAUSFCSA-N 2 1 376.501 0.398 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCCCCC4)C[C@H]32)O1 ZINC001084447412 1201412341 /nfs/dbraw/zinc/41/23/41/1201412341.db2.gz MKKZNKNEGWKMGF-NCXUSEDFSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(CC(=O)N4CCCCCC4)C[C@H]32)O1 ZINC001084447412 1201412346 /nfs/dbraw/zinc/41/23/46/1201412346.db2.gz MKKZNKNEGWKMGF-NCXUSEDFSA-N 2 1 392.544 0.641 20 0 GCADMP CCn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001084447291 1201413033 /nfs/dbraw/zinc/41/30/33/1201413033.db2.gz HRQBEIQIGYQPSU-NXWXRZEISA-N 2 1 375.517 0.697 20 0 GCADMP CCn1cc(CC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001084447291 1201413037 /nfs/dbraw/zinc/41/30/37/1201413037.db2.gz HRQBEIQIGYQPSU-NXWXRZEISA-N 2 1 375.517 0.697 20 0 GCADMP CCn1cc(CC[N@H+]2CC[C@@H]3CN(C(=O)[C@H]4C[NH+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001084447291 1201413040 /nfs/dbraw/zinc/41/30/40/1201413040.db2.gz HRQBEIQIGYQPSU-NXWXRZEISA-N 2 1 375.517 0.697 20 0 GCADMP CCn1cc(CC[NH+]2CC[C@@H]3CN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)[C@@H]3C2)cn1 ZINC001084447291 1201413050 /nfs/dbraw/zinc/41/30/50/1201413050.db2.gz HRQBEIQIGYQPSU-NXWXRZEISA-N 2 1 375.517 0.697 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NNC1=[NH+]CC2=CNN(C(C)(C)C)C2=N1 ZINC000731948440 1201510205 /nfs/dbraw/zinc/51/02/05/1201510205.db2.gz ZRPXLIDXAFIPNU-CYBMUJFWSA-N 2 1 378.550 0.710 20 0 GCADMP CNC(=O)Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001085202183 1201633525 /nfs/dbraw/zinc/63/35/25/1201633525.db2.gz RCSOWMWSFIXQNH-KBUPBQIOSA-N 2 1 392.504 0.215 20 0 GCADMP CNC(=O)Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001085202183 1201633528 /nfs/dbraw/zinc/63/35/28/1201633528.db2.gz RCSOWMWSFIXQNH-KBUPBQIOSA-N 2 1 392.504 0.215 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)SCC[C@@H]2C(=O)NC1CC[NH+](C)CC1 ZINC001273313130 1201636598 /nfs/dbraw/zinc/63/65/98/1201636598.db2.gz LSQINLKCBOHZLW-CVEARBPZSA-N 2 1 380.558 0.625 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000735590763 1201694761 /nfs/dbraw/zinc/69/47/61/1201694761.db2.gz SRJDHXZEUNATQK-UHFFFAOYSA-N 2 1 377.489 0.071 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC000735597339 1201696258 /nfs/dbraw/zinc/69/62/58/1201696258.db2.gz WIGIEIRIKPIJTA-JKSUJKDBSA-N 2 1 384.440 0.494 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC000735597339 1201696263 /nfs/dbraw/zinc/69/62/63/1201696263.db2.gz WIGIEIRIKPIJTA-JKSUJKDBSA-N 2 1 384.440 0.494 20 0 GCADMP C[N@@H+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000741253778 1201769469 /nfs/dbraw/zinc/76/94/69/1201769469.db2.gz XKMXDKGVOZFXSU-HNNXBMFYSA-N 2 1 379.505 0.936 20 0 GCADMP C[NH+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@H]1CCC[N@H+](C)C1 ZINC000741253778 1201769472 /nfs/dbraw/zinc/76/94/72/1201769472.db2.gz XKMXDKGVOZFXSU-HNNXBMFYSA-N 2 1 379.505 0.936 20 0 GCADMP C[NH+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@H]1CCC[N@@H+](C)C1 ZINC000741253778 1201769475 /nfs/dbraw/zinc/76/94/75/1201769475.db2.gz XKMXDKGVOZFXSU-HNNXBMFYSA-N 2 1 379.505 0.936 20 0 GCADMP COc1ccc(CN2CC[C@H]([NH2+]CCC(=O)N3CC[NH+](C)CC3)CC2=O)cc1 ZINC001168894094 1201927808 /nfs/dbraw/zinc/92/78/08/1201927808.db2.gz BVYXSNGNYGNPGD-SFHVURJKSA-N 2 1 388.512 0.940 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CC[N@@H+](C)C1 ZINC001169167747 1201934428 /nfs/dbraw/zinc/93/44/28/1201934428.db2.gz KZYOTIARQBJZOT-CABCVRRESA-N 2 1 376.505 0.534 20 0 GCADMP CCN1CCC([NH2+]CCOCCOCCOCCOCCOCC[NH3+])CC1 ZINC001169230331 1201940164 /nfs/dbraw/zinc/94/01/64/1201940164.db2.gz YGXVRWICBIHQEG-UHFFFAOYSA-N 2 1 391.553 0.102 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109295196 1202014815 /nfs/dbraw/zinc/01/48/15/1202014815.db2.gz ZPGVUKIZGDRTHQ-XWSJACJDSA-N 2 1 378.517 0.202 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCOCCNC(C)=O)CC[N@H+]1C ZINC001109306365 1202018776 /nfs/dbraw/zinc/01/87/76/1202018776.db2.gz WUDXNIQYYWEVNH-SPOLIRPYSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCOCCNC(C)=O)CC[NH+]1C ZINC001109306365 1202018777 /nfs/dbraw/zinc/01/87/77/1202018777.db2.gz WUDXNIQYYWEVNH-SPOLIRPYSA-N 2 1 380.533 0.591 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCOCCNC(C)=O)CC[NH+]1C ZINC001109306365 1202018779 /nfs/dbraw/zinc/01/87/79/1202018779.db2.gz WUDXNIQYYWEVNH-SPOLIRPYSA-N 2 1 380.533 0.591 20 0 GCADMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O ZINC001109418169 1202041280 /nfs/dbraw/zinc/04/12/80/1202041280.db2.gz ZYOSCUMWVLDVDT-YVSFHVDLSA-N 2 1 376.501 0.731 20 0 GCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109418169 1202041283 /nfs/dbraw/zinc/04/12/83/1202041283.db2.gz ZYOSCUMWVLDVDT-YVSFHVDLSA-N 2 1 376.501 0.731 20 0 GCADMP C[NH+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109418169 1202041288 /nfs/dbraw/zinc/04/12/88/1202041288.db2.gz ZYOSCUMWVLDVDT-YVSFHVDLSA-N 2 1 376.501 0.731 20 0 GCADMP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCN1C(=O)CNC1=O)[NH+](C)C ZINC001109426853 1202046344 /nfs/dbraw/zinc/04/63/44/1202046344.db2.gz BAXAEEPZIUVVMM-AESZEHBQSA-N 2 1 379.505 0.236 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001109589923 1202086359 /nfs/dbraw/zinc/08/63/59/1202086359.db2.gz KEBDDCDPFCKWHI-SQNIBIBYSA-N 2 1 380.533 0.735 20 0 GCADMP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001109653875 1202098992 /nfs/dbraw/zinc/09/89/92/1202098992.db2.gz KNQZCVMYQJQGRU-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674333 1202103835 /nfs/dbraw/zinc/10/38/35/1202103835.db2.gz CBBDVDLFYFQILE-IKGGRYGDSA-N 2 1 376.505 0.052 20 0 GCADMP CN(Cc1cnn(C)c1)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109674333 1202103836 /nfs/dbraw/zinc/10/38/36/1202103836.db2.gz CBBDVDLFYFQILE-IKGGRYGDSA-N 2 1 376.505 0.052 20 0 GCADMP C[N@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O)CC(C)(C)C ZINC001109728864 1202113301 /nfs/dbraw/zinc/11/33/01/1202113301.db2.gz HPVRPFQJLUCTBK-PMPSAXMXSA-N 2 1 378.517 0.835 20 0 GCADMP C[N@@H+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCN1C(=O)CCC1=O)CC(C)(C)C ZINC001109728864 1202113302 /nfs/dbraw/zinc/11/33/02/1202113302.db2.gz HPVRPFQJLUCTBK-PMPSAXMXSA-N 2 1 378.517 0.835 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O)CC(C)(C)C ZINC001109728864 1202113303 /nfs/dbraw/zinc/11/33/03/1202113303.db2.gz HPVRPFQJLUCTBK-PMPSAXMXSA-N 2 1 378.517 0.835 20 0 GCADMP C[NH+](CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O)CC(C)(C)C ZINC001109728864 1202113306 /nfs/dbraw/zinc/11/33/06/1202113306.db2.gz HPVRPFQJLUCTBK-PMPSAXMXSA-N 2 1 378.517 0.835 20 0 GCADMP CCN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109733554 1202114931 /nfs/dbraw/zinc/11/49/31/1202114931.db2.gz VHADEJIPDLZAIO-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP CCN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@@H](C)[NH+]1CCCC1)C2 ZINC001109733554 1202114933 /nfs/dbraw/zinc/11/49/33/1202114933.db2.gz VHADEJIPDLZAIO-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP CCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900311 1202146006 /nfs/dbraw/zinc/14/60/06/1202146006.db2.gz JOJYIHDHEZEWJS-MVJTYMMSSA-N 2 1 380.533 0.733 20 0 GCADMP CCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109900311 1202146008 /nfs/dbraw/zinc/14/60/08/1202146008.db2.gz JOJYIHDHEZEWJS-MVJTYMMSSA-N 2 1 380.533 0.733 20 0 GCADMP CN1CCC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902470 1202146679 /nfs/dbraw/zinc/14/66/79/1202146679.db2.gz KTYPBYCHVZFGFW-UBDQQSCGSA-N 2 1 378.517 0.440 20 0 GCADMP CN1CCC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902470 1202146683 /nfs/dbraw/zinc/14/66/83/1202146683.db2.gz KTYPBYCHVZFGFW-UBDQQSCGSA-N 2 1 378.517 0.440 20 0 GCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928332 1202152406 /nfs/dbraw/zinc/15/24/06/1202152406.db2.gz QVFJCYCPHJNCMY-UKMLZYKCSA-N 2 1 379.505 0.426 20 0 GCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928332 1202152407 /nfs/dbraw/zinc/15/24/07/1202152407.db2.gz QVFJCYCPHJNCMY-UKMLZYKCSA-N 2 1 379.505 0.426 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928332 1202152410 /nfs/dbraw/zinc/15/24/10/1202152410.db2.gz QVFJCYCPHJNCMY-UKMLZYKCSA-N 2 1 379.505 0.426 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC001109928332 1202152413 /nfs/dbraw/zinc/15/24/13/1202152413.db2.gz QVFJCYCPHJNCMY-UKMLZYKCSA-N 2 1 379.505 0.426 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001110014734 1202175259 /nfs/dbraw/zinc/17/52/59/1202175259.db2.gz GKVOUCMFLYGCOA-BDXSIMOUSA-N 2 1 380.533 0.423 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001110014734 1202175260 /nfs/dbraw/zinc/17/52/60/1202175260.db2.gz GKVOUCMFLYGCOA-BDXSIMOUSA-N 2 1 380.533 0.423 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001110014734 1202175263 /nfs/dbraw/zinc/17/52/63/1202175263.db2.gz GKVOUCMFLYGCOA-BDXSIMOUSA-N 2 1 380.533 0.423 20 0 GCADMP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOCC ZINC001110021889 1202175715 /nfs/dbraw/zinc/17/57/15/1202175715.db2.gz MAHKTIKINIDFAE-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOCC ZINC001110021889 1202175718 /nfs/dbraw/zinc/17/57/18/1202175718.db2.gz MAHKTIKINIDFAE-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOCC ZINC001110021889 1202175719 /nfs/dbraw/zinc/17/57/19/1202175719.db2.gz MAHKTIKINIDFAE-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOCC ZINC001110021889 1202175722 /nfs/dbraw/zinc/17/57/22/1202175722.db2.gz MAHKTIKINIDFAE-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001110019422 1202176256 /nfs/dbraw/zinc/17/62/56/1202176256.db2.gz WTXJQMQRPKSWNV-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NCCCOC ZINC001110019422 1202176259 /nfs/dbraw/zinc/17/62/59/1202176259.db2.gz WTXJQMQRPKSWNV-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NCCCOC ZINC001110019422 1202176261 /nfs/dbraw/zinc/17/62/61/1202176261.db2.gz WTXJQMQRPKSWNV-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NCCCOC ZINC001110019422 1202176263 /nfs/dbraw/zinc/17/62/63/1202176263.db2.gz WTXJQMQRPKSWNV-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001110019423 1202176407 /nfs/dbraw/zinc/17/64/07/1202176407.db2.gz WTXJQMQRPKSWNV-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NCCCOC ZINC001110019423 1202176408 /nfs/dbraw/zinc/17/64/08/1202176408.db2.gz WTXJQMQRPKSWNV-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NCCCOC ZINC001110019423 1202176411 /nfs/dbraw/zinc/17/64/11/1202176411.db2.gz WTXJQMQRPKSWNV-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NCCCOC ZINC001110019423 1202176413 /nfs/dbraw/zinc/17/64/13/1202176413.db2.gz WTXJQMQRPKSWNV-MHORFTMASA-N 2 1 382.549 0.981 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000787652303 1205397419 /nfs/dbraw/zinc/39/74/19/1205397419.db2.gz ILCKNDGIQKJHRY-ARFHVFGLSA-N 2 1 380.514 0.446 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccsc1 ZINC000787652303 1205397421 /nfs/dbraw/zinc/39/74/21/1205397421.db2.gz ILCKNDGIQKJHRY-ARFHVFGLSA-N 2 1 380.514 0.446 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000790209524 1205458935 /nfs/dbraw/zinc/45/89/35/1205458935.db2.gz OGFUIYFJQLLRQG-QZTJIDSGSA-N 2 1 381.565 0.367 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000790209525 1205459016 /nfs/dbraw/zinc/45/90/16/1205459016.db2.gz OGFUIYFJQLLRQG-ROUUACIJSA-N 2 1 381.565 0.367 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792206357 1205485059 /nfs/dbraw/zinc/48/50/59/1205485059.db2.gz HRRKYACWKNFPOQ-UHFFFAOYSA-N 2 1 384.521 0.502 20 0 GCADMP Cn1ccccc1=[N+]([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389496 1205491343 /nfs/dbraw/zinc/49/13/43/1205491343.db2.gz QZBYNZAHYQAYEU-BGJMDTOESA-N 3 1 381.541 0.785 20 0 GCADMP O=S(=O)(C[C@@H]1CCCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000792753817 1205493256 /nfs/dbraw/zinc/49/32/56/1205493256.db2.gz UHRUTGJZKCYFQE-QGZVFWFLSA-N 2 1 382.530 0.940 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000793725139 1205503809 /nfs/dbraw/zinc/50/38/09/1205503809.db2.gz PUGZLFWMRFWAQS-QGZVFWFLSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702991 1205504544 /nfs/dbraw/zinc/50/45/44/1205504544.db2.gz VNMDGLWGVQTAKB-DLBZAZTESA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702991 1205504545 /nfs/dbraw/zinc/50/45/45/1205504545.db2.gz VNMDGLWGVQTAKB-DLBZAZTESA-N 2 1 379.549 0.262 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000793805181 1205506604 /nfs/dbraw/zinc/50/66/04/1205506604.db2.gz MULQGOLXYDWMEW-WMLDXEAASA-N 2 1 384.484 0.991 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000793805181 1205506606 /nfs/dbraw/zinc/50/66/06/1205506606.db2.gz MULQGOLXYDWMEW-WMLDXEAASA-N 2 1 384.484 0.991 20 0 GCADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912718 1205522954 /nfs/dbraw/zinc/52/29/54/1205522954.db2.gz WZWFJBBXJFQNRY-NRSFXHEJSA-N 2 1 378.521 0.775 20 0 GCADMP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001129912718 1205522957 /nfs/dbraw/zinc/52/29/57/1205522957.db2.gz WZWFJBBXJFQNRY-NRSFXHEJSA-N 2 1 378.521 0.775 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NCCN(C)CC[NH3+] ZINC001170499764 1205550147 /nfs/dbraw/zinc/55/01/47/1205550147.db2.gz VEXJQDIEQNPBBM-OAHLLOKOSA-N 2 1 381.521 0.490 20 0 GCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cn(C)cn1 ZINC001130596913 1205554933 /nfs/dbraw/zinc/55/49/33/1205554933.db2.gz WQYLJDRCAPQTAG-CWLKWCNXSA-N 2 1 390.532 0.171 20 0 GCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000806505208 1205558134 /nfs/dbraw/zinc/55/81/34/1205558134.db2.gz VZBDXEBXRNUIMX-KURKYZTESA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)n2)O1 ZINC001130789989 1205570733 /nfs/dbraw/zinc/57/07/33/1205570733.db2.gz BXXHFRNJKAISIL-LXTVHRRPSA-N 2 1 380.493 0.360 20 0 GCADMP CCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)n2)O1 ZINC001130789989 1205570735 /nfs/dbraw/zinc/57/07/35/1205570735.db2.gz BXXHFRNJKAISIL-LXTVHRRPSA-N 2 1 380.493 0.360 20 0 GCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C[C@H]1c1cncn1C ZINC001130994089 1205585016 /nfs/dbraw/zinc/58/50/16/1205585016.db2.gz FRZYNXSTXAHBCO-YLFCFFPRSA-N 2 1 390.532 0.171 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000807684339 1205588320 /nfs/dbraw/zinc/58/83/20/1205588320.db2.gz VWDOBSMOLORBLO-UHFFFAOYSA-N 2 1 394.560 0.815 20 0 GCADMP NC(=O)C[C@@H]1CC[N@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227812 1205602968 /nfs/dbraw/zinc/60/29/68/1205602968.db2.gz DNWPHFZXQSOBPU-UWJYYQICSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@@H]1CC[N@@H+](CN2C(=O)N[C@]3(CCC[NH+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227812 1205602969 /nfs/dbraw/zinc/60/29/69/1205602969.db2.gz DNWPHFZXQSOBPU-UWJYYQICSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@@H]1CC[NH+](CN2C(=O)N[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227812 1205602970 /nfs/dbraw/zinc/60/29/70/1205602970.db2.gz DNWPHFZXQSOBPU-UWJYYQICSA-N 2 1 399.495 0.728 20 0 GCADMP NC(=O)C[C@@H]1CC[NH+](CN2C(=O)N[C@]3(CCC[N@@H+](Cc4ccccc4)C3)C2=O)C1 ZINC000808227812 1205602971 /nfs/dbraw/zinc/60/29/71/1205602971.db2.gz DNWPHFZXQSOBPU-UWJYYQICSA-N 2 1 399.495 0.728 20 0 GCADMP CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001131500386 1205613333 /nfs/dbraw/zinc/61/33/33/1205613333.db2.gz UXLJHKWADRECFU-MYZZLAAOSA-N 2 1 380.533 0.448 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@@H](C)[C@@H]1C[NH2+]CCO1 ZINC001170563562 1205613460 /nfs/dbraw/zinc/61/34/60/1205613460.db2.gz MGGLHNLVAQICMS-ZOBUZTSGSA-N 2 1 394.516 0.976 20 0 GCADMP CCOC(=O)[C@@H]1CC[C@@H]([NH+]2CCN(CC[NH3+])CC2)CN1C(=O)OC(C)(C)C ZINC001170616233 1205642067 /nfs/dbraw/zinc/64/20/67/1205642067.db2.gz IAIMXRCTTXKROX-CVEARBPZSA-N 2 1 384.521 0.894 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1N[C@H]1C[NH2+]C[C@@H]1CO ZINC001170774672 1205697265 /nfs/dbraw/zinc/69/72/65/1205697265.db2.gz MMYRABWLWJHGRH-IMJJTQAJSA-N 2 1 380.489 0.179 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013377 1205711450 /nfs/dbraw/zinc/71/14/50/1205711450.db2.gz HWKFVXMRRAGLEY-BPQIPLTHSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013377 1205711451 /nfs/dbraw/zinc/71/14/51/1205711451.db2.gz HWKFVXMRRAGLEY-BPQIPLTHSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCN(C4CC4)C(=O)C3)CC[C@@H]2C1 ZINC001172013377 1205711454 /nfs/dbraw/zinc/71/14/54/1205711454.db2.gz HWKFVXMRRAGLEY-BPQIPLTHSA-N 2 1 378.517 0.251 20 0 GCADMP Cc1ccc(N(Cc2cnc3n2CC[NH2+]CC3)C2C[C@@H]3COC[C@H](C2)[N@@H+]3C)nn1 ZINC001172140497 1205712901 /nfs/dbraw/zinc/71/29/01/1205712901.db2.gz VAXMQYUVLNZHGN-AYHJJNSGSA-N 2 1 397.527 0.995 20 0 GCADMP Cc1ccc(N(Cc2cnc3n2CC[NH2+]CC3)C2C[C@@H]3COC[C@H](C2)[N@H+]3C)nn1 ZINC001172140497 1205712903 /nfs/dbraw/zinc/71/29/03/1205712903.db2.gz VAXMQYUVLNZHGN-AYHJJNSGSA-N 2 1 397.527 0.995 20 0 GCADMP COC(=O)[C@H](CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)NC(=O)CNC(C)=O ZINC001172112797 1205713039 /nfs/dbraw/zinc/71/30/39/1205713039.db2.gz FGHXERYHWLPOFE-MHORFTMASA-N 2 1 396.532 0.556 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176918 1205714120 /nfs/dbraw/zinc/71/41/20/1205714120.db2.gz ZHJOMAMJNFVYDE-VSZNYVQBSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176918 1205714121 /nfs/dbraw/zinc/71/41/21/1205714121.db2.gz ZHJOMAMJNFVYDE-VSZNYVQBSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176918 1205714124 /nfs/dbraw/zinc/71/41/24/1205714124.db2.gz ZHJOMAMJNFVYDE-VSZNYVQBSA-N 2 1 378.517 0.251 20 0 GCADMP COCCC[NH+]1CCC([NH2+]CC(=O)NCC(=O)OCc2ccccc2)CC1 ZINC001172245617 1205714870 /nfs/dbraw/zinc/71/48/70/1205714870.db2.gz YHMQPJJKPPICRF-UHFFFAOYSA-N 2 1 377.485 0.937 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001172251446 1205715062 /nfs/dbraw/zinc/71/50/62/1205715062.db2.gz PQOFTSWFODDWHX-SLFFLAALSA-N 2 1 395.544 0.683 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001172251446 1205715064 /nfs/dbraw/zinc/71/50/64/1205715064.db2.gz PQOFTSWFODDWHX-SLFFLAALSA-N 2 1 395.544 0.683 20 0 GCADMP CNC(=O)CN1C(=O)CC[C@]12CCC[N@@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251492 1205715425 /nfs/dbraw/zinc/71/54/25/1205715425.db2.gz RFSCINMVUMLKBK-FQEVSTJZSA-N 2 1 380.533 0.690 20 0 GCADMP CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](C1CC[NH+](CCCOC)CC1)C2 ZINC001172251492 1205715427 /nfs/dbraw/zinc/71/54/27/1205715427.db2.gz RFSCINMVUMLKBK-FQEVSTJZSA-N 2 1 380.533 0.690 20 0 GCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@H]1CCN(Cc2ccccc2)C(=O)C1 ZINC001172662652 1205716722 /nfs/dbraw/zinc/71/67/22/1205716722.db2.gz BRHXIQNTAWOQFK-HOTGVXAUSA-N 2 1 375.473 0.572 20 0 GCADMP CC[N@H+]1CC[C@H](N([C@@H](O)OC(C)(C)C)[C@H]2C[C@@H]([C@H](O)[NH+](C)C)CC[C@@H]2[NH3+])C1 ZINC001173352983 1205719582 /nfs/dbraw/zinc/71/95/82/1205719582.db2.gz CCDIXSWRGDXSHJ-DYKIIFRCSA-N 3 1 386.581 0.850 20 0 GCADMP CC[N@H+]1CC[C@@H](N(Cc2cnc3n2CC[NH2+]CC3)c2cc(N(C)C)ncn2)C1 ZINC001173360421 1205719875 /nfs/dbraw/zinc/71/98/75/1205719875.db2.gz DBSAVXNUAXQRPX-MRXNPFEDSA-N 2 1 384.532 0.986 20 0 GCADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173494048 1205722599 /nfs/dbraw/zinc/72/25/99/1205722599.db2.gz AOOJAVHKNLNYGY-PMPSAXMXSA-N 2 1 377.441 0.170 20 0 GCADMP COC(=O)[C@H]1C[C@@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CCN1C(=O)c1ccccc1 ZINC001173494624 1205722727 /nfs/dbraw/zinc/72/27/27/1205722727.db2.gz BFGGAOANFNNROE-SOLBZPMBSA-N 2 1 386.452 0.764 20 0 GCADMP C[C@](Cn1cccn1)([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(N)=O ZINC001176860378 1205756911 /nfs/dbraw/zinc/75/69/11/1205756911.db2.gz MLVMHKFNZQKXJI-OAQYLSRUSA-N 2 1 398.511 0.629 20 0 GCADMP Cn1nnc2c1CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@H]2COCC[NH+]1CCCC1 ZINC001178691658 1205792277 /nfs/dbraw/zinc/79/22/77/1205792277.db2.gz GJZFIXBVWLJXKU-ROUUACIJSA-N 2 1 390.532 0.838 20 0 GCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)O1 ZINC001178997522 1205799073 /nfs/dbraw/zinc/79/90/73/1205799073.db2.gz WMXJALJXCWEFOQ-MLYOOKFZSA-N 2 1 377.485 0.728 20 0 GCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)O1 ZINC001178997522 1205799076 /nfs/dbraw/zinc/79/90/76/1205799076.db2.gz WMXJALJXCWEFOQ-MLYOOKFZSA-N 2 1 377.485 0.728 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(C(=O)CN3CC[NH+](C(C)C)CC3)CC[C@@H]2C1 ZINC001180345894 1205821911 /nfs/dbraw/zinc/82/19/11/1205821911.db2.gz YUMRIKQFNUJHLB-RTBURBONSA-N 2 1 382.549 0.208 20 0 GCADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001180410071 1205824609 /nfs/dbraw/zinc/82/46/09/1205824609.db2.gz OJOFQGJKXCJKNV-LSDHHAIUSA-N 2 1 384.440 0.866 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N(C(N)=[NH2+])c1cc(C)[nH]n1 ZINC001180410071 1205824611 /nfs/dbraw/zinc/82/46/11/1205824611.db2.gz OJOFQGJKXCJKNV-LSDHHAIUSA-N 2 1 384.440 0.866 20 0 GCADMP COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001180410056 1205824763 /nfs/dbraw/zinc/82/47/63/1205824763.db2.gz NPBYAFGKLGJYCM-ZWKOTPCHSA-N 2 1 387.480 0.356 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC[NH+]1CC2(COC2)C1 ZINC001180410056 1205824765 /nfs/dbraw/zinc/82/47/65/1205824765.db2.gz NPBYAFGKLGJYCM-ZWKOTPCHSA-N 2 1 387.480 0.356 20 0 GCADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001182002053 1205853216 /nfs/dbraw/zinc/85/32/16/1205853216.db2.gz WVRHDQFNZKZYAH-KRWDZBQOSA-N 2 1 380.514 0.807 20 0 GCADMP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)[C@@H]1CCC[N@H+]1CC1CC1 ZINC001182553472 1205875708 /nfs/dbraw/zinc/87/57/08/1205875708.db2.gz OCPNYWXSNDVVHV-HNNXBMFYSA-N 2 1 382.486 0.483 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccco1 ZINC000774827943 1205916556 /nfs/dbraw/zinc/91/65/56/1205916556.db2.gz SLTGZMQNXUXDSX-IAGOWNOFSA-N 2 1 392.500 0.758 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccco1 ZINC000774827944 1205916559 /nfs/dbraw/zinc/91/65/59/1205916559.db2.gz SLTGZMQNXUXDSX-IRXDYDNUSA-N 2 1 392.500 0.758 20 0 GCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC001185244638 1205918675 /nfs/dbraw/zinc/91/86/75/1205918675.db2.gz LLUOGTVOVGPDNY-GOSISDBHSA-N 2 1 380.533 0.498 20 0 GCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001185249998 1205918877 /nfs/dbraw/zinc/91/88/77/1205918877.db2.gz BOILMKQECHXXCL-ALKREAHSSA-N 2 1 377.464 0.321 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001185249998 1205918878 /nfs/dbraw/zinc/91/88/78/1205918878.db2.gz BOILMKQECHXXCL-ALKREAHSSA-N 2 1 377.464 0.321 20 0 GCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001185250002 1205919030 /nfs/dbraw/zinc/91/90/30/1205919030.db2.gz BOILMKQECHXXCL-URLQWDBASA-N 2 1 377.464 0.321 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001185250002 1205919031 /nfs/dbraw/zinc/91/90/31/1205919031.db2.gz BOILMKQECHXXCL-URLQWDBASA-N 2 1 377.464 0.321 20 0 GCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[NH+](C)CCN3C)CC[C@@H]21 ZINC001185253256 1205919313 /nfs/dbraw/zinc/91/93/13/1205919313.db2.gz WIWOUWLQJZMWKX-FUMNGEBKSA-N 2 1 388.560 0.829 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)CCN3C)CC[C@@H]21 ZINC001185253256 1205919314 /nfs/dbraw/zinc/91/93/14/1205919314.db2.gz WIWOUWLQJZMWKX-FUMNGEBKSA-N 2 1 388.560 0.829 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)CCN3C)CC[C@@H]21 ZINC001185253256 1205919315 /nfs/dbraw/zinc/91/93/15/1205919315.db2.gz WIWOUWLQJZMWKX-FUMNGEBKSA-N 2 1 388.560 0.829 20 0 GCADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[NH+](C)CCN3C)CC[C@@H]21 ZINC001185253258 1205919338 /nfs/dbraw/zinc/91/93/38/1205919338.db2.gz WIWOUWLQJZMWKX-FYQPLNBISA-N 2 1 388.560 0.829 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[N@H+](C)CCN3C)CC[C@@H]21 ZINC001185253258 1205919339 /nfs/dbraw/zinc/91/93/39/1205919339.db2.gz WIWOUWLQJZMWKX-FYQPLNBISA-N 2 1 388.560 0.829 20 0 GCADMP CC(C)[NH+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)CC[C@@H]21 ZINC001185253258 1205919340 /nfs/dbraw/zinc/91/93/40/1205919340.db2.gz WIWOUWLQJZMWKX-FYQPLNBISA-N 2 1 388.560 0.829 20 0 GCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000774865220 1205921844 /nfs/dbraw/zinc/92/18/44/1205921844.db2.gz HNQCGWXNFIGLRD-GVDBMIGSSA-N 2 1 390.484 0.512 20 0 GCADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000774865220 1205921846 /nfs/dbraw/zinc/92/18/46/1205921846.db2.gz HNQCGWXNFIGLRD-GVDBMIGSSA-N 2 1 390.484 0.512 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044730 1205933767 /nfs/dbraw/zinc/93/37/67/1205933767.db2.gz JMTVREMTUQMLAA-IRXDYDNUSA-N 2 1 398.548 0.843 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044730 1205933769 /nfs/dbraw/zinc/93/37/69/1205933769.db2.gz JMTVREMTUQMLAA-IRXDYDNUSA-N 2 1 398.548 0.843 20 0 GCADMP CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+])C1 ZINC001186810997 1205949494 /nfs/dbraw/zinc/94/94/94/1205949494.db2.gz NTBNFLNUKYAHPY-LIRRHRJNSA-N 2 1 396.488 0.558 20 0 GCADMP CCCCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958002 1205972123 /nfs/dbraw/zinc/97/21/23/1205972123.db2.gz CPJYIVXVIQGWMR-YYIAUSFCSA-N 2 1 393.532 0.485 20 0 GCADMP CCCCNC(=O)NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958002 1205972125 /nfs/dbraw/zinc/97/21/25/1205972125.db2.gz CPJYIVXVIQGWMR-YYIAUSFCSA-N 2 1 393.532 0.485 20 0 GCADMP CCCCNC(=O)NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958002 1205972126 /nfs/dbraw/zinc/97/21/26/1205972126.db2.gz CPJYIVXVIQGWMR-YYIAUSFCSA-N 2 1 393.532 0.485 20 0 GCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958002 1205972127 /nfs/dbraw/zinc/97/21/27/1205972127.db2.gz CPJYIVXVIQGWMR-YYIAUSFCSA-N 2 1 393.532 0.485 20 0 GCADMP CCCCNC(=O)NC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@@H]2C1 ZINC001187958002 1205972128 /nfs/dbraw/zinc/97/21/28/1205972128.db2.gz CPJYIVXVIQGWMR-YYIAUSFCSA-N 2 1 393.532 0.485 20 0 GCADMP C[C@H](C(=O)NC[C@@]1(CO)COCC[NH2+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC001151817787 1206018640 /nfs/dbraw/zinc/01/86/40/1206018640.db2.gz UBQMAGZLQHUQIO-DYESRHJHSA-N 2 1 375.513 0.797 20 0 GCADMP CC(C)[N@H+](C)Cc1nn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c2c1CC[NH2+]C2 ZINC001164681304 719630592 /nfs/dbraw/zinc/63/05/92/719630592.db2.gz GMOFYLYVUBXHJC-UHFFFAOYSA-N 3 1 397.527 0.799 20 0 GCADMP CC(C)[N@@H+](C)Cc1nn(-c2ncccc2C(=O)N2CC[NH2+]CC2)c2c1CC[NH2+]C2 ZINC001164681304 719630603 /nfs/dbraw/zinc/63/06/03/719630603.db2.gz GMOFYLYVUBXHJC-UHFFFAOYSA-N 3 1 397.527 0.799 20 0 GCADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCC[C@H]3C(N)=O)ncn2)c2c1CC[NH2+]C2 ZINC001164680146 719647311 /nfs/dbraw/zinc/64/73/11/719647311.db2.gz QAMOXXYFUFWNRV-INIZCTEOSA-N 2 1 398.515 0.602 20 0 GCADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCC[C@H]3C(N)=O)ncn2)c2c1CC[NH2+]C2 ZINC001164680146 719647320 /nfs/dbraw/zinc/64/73/20/719647320.db2.gz QAMOXXYFUFWNRV-INIZCTEOSA-N 2 1 398.515 0.602 20 0 GCADMP CNC(=O)C[N@H+]1CCCC12CCN(c1nc(Cl)nc3c1C[NH2+]CC3)CC2 ZINC001164684495 719699063 /nfs/dbraw/zinc/69/90/63/719699063.db2.gz IWEFKDQGJDKEQD-UHFFFAOYSA-N 2 1 378.908 0.957 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164723943 720300119 /nfs/dbraw/zinc/30/01/19/720300119.db2.gz YXOAODRLZUSZBJ-HXUWFJFHSA-N 2 1 384.484 0.932 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(-n4ccnc4)cc[nH+]3)C2)C1 ZINC001164723943 720300126 /nfs/dbraw/zinc/30/01/26/720300126.db2.gz YXOAODRLZUSZBJ-HXUWFJFHSA-N 2 1 384.484 0.932 20 0 GCADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740371 720726415 /nfs/dbraw/zinc/72/64/15/720726415.db2.gz KJSJGPCVSVLVND-QZTJIDSGSA-N 2 1 395.511 0.965 20 0 GCADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740387 720729787 /nfs/dbraw/zinc/72/97/87/720729787.db2.gz KMELXUMVFLZXPS-IAGOWNOFSA-N 2 1 396.499 0.536 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@@H]3C2)cn1 ZINC001164765233 721092144 /nfs/dbraw/zinc/09/21/44/721092144.db2.gz ISQIVZBTTDRVQI-MSOLQXFVSA-N 2 1 382.516 0.578 20 0 GCADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164862831 721096251 /nfs/dbraw/zinc/09/62/51/721096251.db2.gz BBAZJHGPUGQPAP-MOPGFXCFSA-N 2 1 395.511 0.761 20 0 GCADMP O=C(c1cccnc1N1CC[NH+](CCc2ccccn2)CC1)N1CC[NH2+]CC1 ZINC001165055112 722014758 /nfs/dbraw/zinc/01/47/58/722014758.db2.gz DLOPAIPAODSFKS-UHFFFAOYSA-N 2 1 380.496 0.887 20 0 GCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264245 945479724 /nfs/dbraw/zinc/47/97/24/945479724.db2.gz JPKLGFNAJSEGKH-XIRDDKMYSA-N 2 1 385.472 0.182 20 0 GCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264245 945479729 /nfs/dbraw/zinc/47/97/29/945479729.db2.gz JPKLGFNAJSEGKH-XIRDDKMYSA-N 2 1 385.472 0.182 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)NC2(CNc3cc[nH+]cc3-c3nn[nH]n3)CCCC2)C1 ZINC001576204897 950482657 /nfs/dbraw/zinc/48/26/57/950482657.db2.gz RZSAASXAUNEFCC-CQSZACIVSA-N 2 1 384.488 0.866 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205842 950542893 /nfs/dbraw/zinc/54/28/93/950542893.db2.gz QFYVLGCISDKYPU-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576206117 950562596 /nfs/dbraw/zinc/56/25/96/950562596.db2.gz UWNBIWMYNCXQIR-CYBMUJFWSA-N 2 1 387.463 0.896 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576206117 950562612 /nfs/dbraw/zinc/56/26/12/950562612.db2.gz UWNBIWMYNCXQIR-CYBMUJFWSA-N 2 1 387.463 0.896 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576208134 950604981 /nfs/dbraw/zinc/60/49/81/950604981.db2.gz NDBSYVBTORCLJH-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP CC(C)[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576209211 950624005 /nfs/dbraw/zinc/62/40/05/950624005.db2.gz YUIAUTPKMCRHIP-GDBMZVCRSA-N 2 1 386.504 0.968 20 0 GCADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574774542 951009168 /nfs/dbraw/zinc/00/91/68/951009168.db2.gz CZIDFOMTJJLJDS-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574774542 951009184 /nfs/dbraw/zinc/00/91/84/951009184.db2.gz CZIDFOMTJJLJDS-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574774542 951009193 /nfs/dbraw/zinc/00/91/93/951009193.db2.gz CZIDFOMTJJLJDS-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078044 951677242 /nfs/dbraw/zinc/67/72/42/951677242.db2.gz JNEPOKVFUQKJJW-GXTWGEPZSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575078045 951677355 /nfs/dbraw/zinc/67/73/55/951677355.db2.gz JNEPOKVFUQKJJW-JSGCOSHPSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082458 951733470 /nfs/dbraw/zinc/73/34/70/951733470.db2.gz ZEDZOCGLIFKBGL-MLGOLLRUSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575082458 951733480 /nfs/dbraw/zinc/73/34/80/951733480.db2.gz ZEDZOCGLIFKBGL-MLGOLLRUSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001575091652 951780145 /nfs/dbraw/zinc/78/01/45/951780145.db2.gz TZOPZJJBLXDMNE-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3C[NH+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189974 952937133 /nfs/dbraw/zinc/93/71/33/952937133.db2.gz BHQXYTDUUAJHDM-LZLYRXPVSA-N 2 1 381.484 0.851 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189974 952937143 /nfs/dbraw/zinc/93/71/43/952937143.db2.gz BHQXYTDUUAJHDM-LZLYRXPVSA-N 2 1 381.484 0.851 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4ccccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571189974 952937151 /nfs/dbraw/zinc/93/71/51/952937151.db2.gz BHQXYTDUUAJHDM-LZLYRXPVSA-N 2 1 381.484 0.851 20 0 GCADMP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190522 952942629 /nfs/dbraw/zinc/94/26/29/952942629.db2.gz KQNAXRZFQOEBBG-NJAFHUGGSA-N 2 1 381.484 0.994 20 0 GCADMP C[N@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190522 952942637 /nfs/dbraw/zinc/94/26/37/952942637.db2.gz KQNAXRZFQOEBBG-NJAFHUGGSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190522 952942644 /nfs/dbraw/zinc/94/26/44/952942644.db2.gz KQNAXRZFQOEBBG-NJAFHUGGSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190522 952942651 /nfs/dbraw/zinc/94/26/51/952942651.db2.gz KQNAXRZFQOEBBG-NJAFHUGGSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261810416 530130482 /nfs/dbraw/zinc/13/04/82/530130482.db2.gz RUMJRPHQHVBYPY-QGZVFWFLSA-N 2 1 397.317 0.903 20 0 GCADMP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1sc2c(c1I)C[NH2+]C2 ZINC000595952072 530450597 /nfs/dbraw/zinc/45/05/97/530450597.db2.gz WKJSMWFKNLBDTO-KJXVDCTPSA-N 2 1 375.235 0.904 20 0 GCADMP C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)C(=O)NCC[NH3+] ZINC000415266467 530501929 /nfs/dbraw/zinc/50/19/29/530501929.db2.gz HKPSZVQMUSFUDF-LLVKDONJSA-N 2 1 398.305 0.603 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CCC(=O)OC ZINC000470764005 530696479 /nfs/dbraw/zinc/69/64/79/530696479.db2.gz DUAWMDTYCCHJDL-HNNXBMFYSA-N 2 1 378.539 0.074 20 0 GCADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCS(=O)(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000508968170 530915149 /nfs/dbraw/zinc/91/51/49/530915149.db2.gz VILRMFIVIKHNDH-HOTGVXAUSA-N 2 1 377.551 0.468 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)s1 ZINC000521465010 530939504 /nfs/dbraw/zinc/93/95/04/530939504.db2.gz KUEIMUKMJBIWEC-ZDUSSCGKSA-N 2 1 388.559 0.884 20 0 GCADMP COCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000192767506 530972576 /nfs/dbraw/zinc/97/25/76/530972576.db2.gz NJARSYAAOLWXIY-SFHVURJKSA-N 2 1 375.579 0.928 20 0 GCADMP [NH3+]CC(=O)NCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000262422959 530997183 /nfs/dbraw/zinc/99/71/83/530997183.db2.gz RFNHPGKPVWNRPR-UHFFFAOYSA-N 2 1 383.290 0.605 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C)S(C)(=O)=O ZINC000422632950 531015317 /nfs/dbraw/zinc/01/53/17/531015317.db2.gz HKRIPHYLLUPHEF-BZUAXINKSA-N 2 1 376.567 0.468 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C)S(C)(=O)=O ZINC000422632950 531015320 /nfs/dbraw/zinc/01/53/20/531015320.db2.gz HKRIPHYLLUPHEF-BZUAXINKSA-N 2 1 376.567 0.468 20 0 GCADMP CN(CCNC(=O)C[N@@H+](C)[C@H]1CCSC1)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000438363843 531153978 /nfs/dbraw/zinc/15/39/78/531153978.db2.gz MBRUIYHZXSVBOQ-LSDHHAIUSA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@H]1CCSC1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000438363843 531153979 /nfs/dbraw/zinc/15/39/79/531153979.db2.gz MBRUIYHZXSVBOQ-LSDHHAIUSA-N 2 1 388.603 0.436 20 0 GCADMP CN(CCNC(=O)C[NH+](C)[C@H]1CCSC1)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000438363843 531153980 /nfs/dbraw/zinc/15/39/80/531153980.db2.gz MBRUIYHZXSVBOQ-LSDHHAIUSA-N 2 1 388.603 0.436 20 0 GCADMP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000738450097 598837845 /nfs/dbraw/zinc/83/78/45/598837845.db2.gz OBNVWRRPPLXVSX-HIFRSBDPSA-N 2 1 387.492 0.338 20 0 GCADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736858589 599080506 /nfs/dbraw/zinc/08/05/06/599080506.db2.gz UEKPQMCMDWHPKH-SFHVURJKSA-N 2 1 398.515 0.907 20 0 GCADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000736858589 599080509 /nfs/dbraw/zinc/08/05/09/599080509.db2.gz UEKPQMCMDWHPKH-SFHVURJKSA-N 2 1 398.515 0.907 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000736859273 599080616 /nfs/dbraw/zinc/08/06/16/599080616.db2.gz YIAWIQTVOIHSTF-MRXNPFEDSA-N 2 1 398.515 0.907 20 0 GCADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736145324 598348991 /nfs/dbraw/zinc/34/89/91/598348991.db2.gz SVOHTJDVCPEFJG-AWEZNQCLSA-N 2 1 387.488 0.972 20 0 GCADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736145324 598348993 /nfs/dbraw/zinc/34/89/93/598348993.db2.gz SVOHTJDVCPEFJG-AWEZNQCLSA-N 2 1 387.488 0.972 20 0 GCADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736144107 598365817 /nfs/dbraw/zinc/36/58/17/598365817.db2.gz NJHMIEVCTKYBIK-AWEZNQCLSA-N 2 1 387.488 0.972 20 0 GCADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736144107 598365819 /nfs/dbraw/zinc/36/58/19/598365819.db2.gz NJHMIEVCTKYBIK-AWEZNQCLSA-N 2 1 387.488 0.972 20 0 GCADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccccc2-c2nn[nH]n2)CC1 ZINC000826506558 608382929 /nfs/dbraw/zinc/38/29/29/608382929.db2.gz XBZDHBJWDUSTSK-UHFFFAOYSA-N 2 1 388.472 0.405 20 0 GCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911776533 639522247 /nfs/dbraw/zinc/52/22/47/639522247.db2.gz WQAORIWKQJZPNT-HNNXBMFYSA-N 2 1 385.306 0.821 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849358 641659422 /nfs/dbraw/zinc/65/94/22/641659422.db2.gz PCCHOKCATMQHMI-FATZIPQQSA-N 2 1 383.584 0.154 20 0 GCADMP CS(=O)(=O)[C@@H]1CC[NH+](CCCCCC[N@@H+]2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000800467382 642082690 /nfs/dbraw/zinc/08/26/90/642082690.db2.gz XVKWJYKNNWLPBM-IYBDPMFKSA-N 2 1 380.576 0.785 20 0 GCADMP CS(=O)(=O)[C@@H]1CC[N@@H+](CCCCCC[NH+]2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000800467382 642082695 /nfs/dbraw/zinc/08/26/95/642082695.db2.gz XVKWJYKNNWLPBM-IYBDPMFKSA-N 2 1 380.576 0.785 20 0 GCADMP CS(=O)(=O)[C@@H]1CC[N@H+](CCCCCC[NH+]2CC[C@H](S(C)(=O)=O)C2)C1 ZINC000800467382 642082699 /nfs/dbraw/zinc/08/26/99/642082699.db2.gz XVKWJYKNNWLPBM-IYBDPMFKSA-N 2 1 380.576 0.785 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950357 1192166138 /nfs/dbraw/zinc/16/61/38/1192166138.db2.gz GTTHAPLHESVOSO-UHOSZYNNSA-N 2 1 388.512 0.336 20 0 GCADMP CNC(=O)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652347628 1192200250 /nfs/dbraw/zinc/20/02/50/1192200250.db2.gz HKEUNMVAPDLQDY-PNYFIKQUSA-N 2 1 388.512 0.808 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085070 1192208318 /nfs/dbraw/zinc/20/83/18/1192208318.db2.gz KWMSIJFNTZNHDR-CRAIPNDOSA-N 2 1 392.500 0.709 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085070 1192208321 /nfs/dbraw/zinc/20/83/21/1192208321.db2.gz KWMSIJFNTZNHDR-CRAIPNDOSA-N 2 1 392.500 0.709 20 0 GCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000652432953 1192221424 /nfs/dbraw/zinc/22/14/24/1192221424.db2.gz JESNSTGVXUOCTC-LJQANCHMSA-N 3 1 393.576 0.558 20 0 GCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000652432953 1192221426 /nfs/dbraw/zinc/22/14/26/1192221426.db2.gz JESNSTGVXUOCTC-LJQANCHMSA-N 3 1 393.576 0.558 20 0 GCADMP O=C1CCCN1C[C@@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000662051109 1192226162 /nfs/dbraw/zinc/22/61/62/1192226162.db2.gz PBEVYSRYFIMGCQ-QZTJIDSGSA-N 2 1 392.544 0.236 20 0 GCADMP O=C1CCCN1C[C@@H]1CC[NH+](CC(O)C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)C1 ZINC000662051109 1192226167 /nfs/dbraw/zinc/22/61/67/1192226167.db2.gz PBEVYSRYFIMGCQ-QZTJIDSGSA-N 2 1 392.544 0.236 20 0 GCADMP O=C1CCCN1C[C@H]1CC[NH+](CC(O)C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000662051111 1192226548 /nfs/dbraw/zinc/22/65/48/1192226548.db2.gz PBEVYSRYFIMGCQ-ROUUACIJSA-N 2 1 392.544 0.236 20 0 GCADMP O=C1CCCN1C[C@H]1CC[NH+](CC(O)C[N@H+]2CC[C@H](CN3CCCC3=O)C2)C1 ZINC000662051111 1192226550 /nfs/dbraw/zinc/22/65/50/1192226550.db2.gz PBEVYSRYFIMGCQ-ROUUACIJSA-N 2 1 392.544 0.236 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)C1 ZINC000636676511 1192256639 /nfs/dbraw/zinc/25/66/39/1192256639.db2.gz JHRKSUQHXDATOC-MOPGFXCFSA-N 2 1 388.512 0.522 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C(=O)Nc3ccnn3-c3cc[nH+]cc3)C2)C1 ZINC000652628208 1192259127 /nfs/dbraw/zinc/25/91/27/1192259127.db2.gz SEPPCBMLKZNQNI-UXLLHSPISA-N 2 1 398.467 0.951 20 0 GCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000662245183 1192269286 /nfs/dbraw/zinc/26/92/86/1192269286.db2.gz RVWZATDRLJNNDH-MRXNPFEDSA-N 2 1 380.514 0.239 20 0 GCADMP NS(=O)(=O)c1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662290269 1192277763 /nfs/dbraw/zinc/27/77/63/1192277763.db2.gz ONMSDURWKPXZNT-HNNXBMFYSA-N 2 1 380.514 0.984 20 0 GCADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)[C@@H]1CCC[NH3+] ZINC000662311205 1192282070 /nfs/dbraw/zinc/28/20/70/1192282070.db2.gz AFAWCTBKFAHABE-QZTJIDSGSA-N 2 1 395.592 0.885 20 0 GCADMP C[NH+]1CCN(C[C@H](NC(=O)NCC[N@H+]2CC[C@@H](O)C2)c2ccccc2)CC1 ZINC000636719337 1192282728 /nfs/dbraw/zinc/28/27/28/1192282728.db2.gz QJDAUZVDSRWJEI-MOPGFXCFSA-N 2 1 375.517 0.341 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000979887693 1192293622 /nfs/dbraw/zinc/29/36/22/1192293622.db2.gz VVJGVQIKAZSMOD-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000979887693 1192293625 /nfs/dbraw/zinc/29/36/25/1192293625.db2.gz VVJGVQIKAZSMOD-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979887693 1192293628 /nfs/dbraw/zinc/29/36/28/1192293628.db2.gz VVJGVQIKAZSMOD-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979887693 1192293630 /nfs/dbraw/zinc/29/36/30/1192293630.db2.gz VVJGVQIKAZSMOD-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662684696 1192326809 /nfs/dbraw/zinc/32/68/09/1192326809.db2.gz GXYTWWDXQPFFAF-KRWDZBQOSA-N 2 1 397.483 0.905 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662684696 1192326813 /nfs/dbraw/zinc/32/68/13/1192326813.db2.gz GXYTWWDXQPFFAF-KRWDZBQOSA-N 2 1 397.483 0.905 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561622 1192389882 /nfs/dbraw/zinc/38/98/82/1192389882.db2.gz UPNKVKILQBCSCV-RTBURBONSA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC000663561622 1192389886 /nfs/dbraw/zinc/38/98/86/1192389886.db2.gz UPNKVKILQBCSCV-RTBURBONSA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NCC[N@H+]3CCC[C@@H](C)C3)C2)CC1 ZINC000585716549 1192396287 /nfs/dbraw/zinc/39/62/87/1192396287.db2.gz IBTJTQLIHSMFCR-MOPGFXCFSA-N 2 1 393.576 0.461 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000585725335 1192398184 /nfs/dbraw/zinc/39/81/84/1192398184.db2.gz MSTFKHSQVGTDCT-GUDVDZBRSA-N 2 1 391.560 0.356 20 0 GCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652672940 1192421478 /nfs/dbraw/zinc/42/14/78/1192421478.db2.gz ZZFQWPZRJBFEPH-JZXOWHBKSA-N 2 1 380.533 0.722 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000637220123 1192449628 /nfs/dbraw/zinc/44/96/28/1192449628.db2.gz HIOFAJUGWMPQSV-VAMGGRTRSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637220123 1192449631 /nfs/dbraw/zinc/44/96/31/1192449631.db2.gz HIOFAJUGWMPQSV-VAMGGRTRSA-N 2 1 390.528 0.889 20 0 GCADMP CCO[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637220123 1192449638 /nfs/dbraw/zinc/44/96/38/1192449638.db2.gz HIOFAJUGWMPQSV-VAMGGRTRSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432449561 1192450586 /nfs/dbraw/zinc/45/05/86/1192450586.db2.gz RXYJUFLRBMQKGI-QGZVFWFLSA-N 2 1 397.564 0.465 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C1 ZINC000432448471 1192450871 /nfs/dbraw/zinc/45/08/71/1192450871.db2.gz IOVRPLVGWPVRFM-SFHVURJKSA-N 2 1 397.564 0.635 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000279107715 1192467554 /nfs/dbraw/zinc/46/75/54/1192467554.db2.gz YARZYZPXAPTFHR-JKSUJKDBSA-N 2 1 383.500 0.822 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000981785971 1192473910 /nfs/dbraw/zinc/47/39/10/1192473910.db2.gz ZCGUFLJAPMFJAK-YYIAUSFCSA-N 2 1 378.517 0.202 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000981785971 1192473913 /nfs/dbraw/zinc/47/39/13/1192473913.db2.gz ZCGUFLJAPMFJAK-YYIAUSFCSA-N 2 1 378.517 0.202 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC000434186241 1192499587 /nfs/dbraw/zinc/49/95/87/1192499587.db2.gz GSJPCIQHUCVHCV-UHFFFAOYSA-N 2 1 397.564 0.681 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC000434186241 1192499596 /nfs/dbraw/zinc/49/95/96/1192499596.db2.gz GSJPCIQHUCVHCV-UHFFFAOYSA-N 2 1 397.564 0.681 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(N)=O)CC[N@H+]1CCOC ZINC000637375748 1192518705 /nfs/dbraw/zinc/51/87/05/1192518705.db2.gz RRMXQPPTRPGMRI-SJORKVTESA-N 2 1 383.537 0.469 20 0 GCADMP CCC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC[NH+]1CCOC ZINC000637375748 1192518708 /nfs/dbraw/zinc/51/87/08/1192518708.db2.gz RRMXQPPTRPGMRI-SJORKVTESA-N 2 1 383.537 0.469 20 0 GCADMP NS(=O)(=O)c1ccc(Oc2cc(NC(=[NH2+])NCCCC[NH3+])ncn2)cc1 ZINC001167878394 1192562444 /nfs/dbraw/zinc/56/24/44/1192562444.db2.gz PPOVXVGGKSIILH-UHFFFAOYSA-N 2 1 379.446 0.591 20 0 GCADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000512240296 1192568257 /nfs/dbraw/zinc/56/82/57/1192568257.db2.gz HRHMKLZUZMIPIB-QGZVFWFLSA-N 2 1 397.564 0.513 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000893700675 1192595570 /nfs/dbraw/zinc/59/55/70/1192595570.db2.gz ZSXAUAFXTLYUOI-XWSJACJDSA-N 2 1 380.533 0.870 20 0 GCADMP O=C(N[C@@H]1CCCC[C@@H]1[NH+]1CCOCC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893700675 1192595574 /nfs/dbraw/zinc/59/55/74/1192595574.db2.gz ZSXAUAFXTLYUOI-XWSJACJDSA-N 2 1 380.533 0.870 20 0 GCADMP CC[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C[C@H](C)O ZINC000418669983 1192628964 /nfs/dbraw/zinc/62/89/64/1192628964.db2.gz PWGQQNSIFFQSSN-RMRDIRSESA-N 2 1 395.548 0.120 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccco1 ZINC000418836209 1192660664 /nfs/dbraw/zinc/66/06/64/1192660664.db2.gz QUKRJLODPJCEPC-NUJGCVRESA-N 2 1 392.500 0.743 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)[C@@H](C[NH3+])C1 ZINC000418836259 1192660850 /nfs/dbraw/zinc/66/08/50/1192660850.db2.gz QYHPWNKJTIJEOV-SJORKVTESA-N 2 1 396.532 0.102 20 0 GCADMP C[C@H]([NH3+])C1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000418835106 1192660946 /nfs/dbraw/zinc/66/09/46/1192660946.db2.gz PIYMUITXTOFTOP-INIZCTEOSA-N 2 1 380.533 0.724 20 0 GCADMP C[C@]1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC[NH2+]C1 ZINC000418840532 1192663138 /nfs/dbraw/zinc/66/31/38/1192663138.db2.gz XXNOBQWKROEFOV-IBGZPJMESA-N 2 1 380.533 0.644 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)oc1C ZINC000418851926 1192665619 /nfs/dbraw/zinc/66/56/19/1192665619.db2.gz GIGRSCLLZWGTHZ-KBPBESRZSA-N 2 1 391.516 0.828 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000418854897 1192666776 /nfs/dbraw/zinc/66/67/76/1192666776.db2.gz UFCMNBCBTITFDE-UXLLHSPISA-N 2 1 376.501 1.000 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000418856574 1192668844 /nfs/dbraw/zinc/66/88/44/1192668844.db2.gz PNJLHIPJYMIYMP-HNNXBMFYSA-N 2 1 393.557 0.902 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])C1 ZINC000418854565 1192668970 /nfs/dbraw/zinc/66/89/70/1192668970.db2.gz BQCBYEBGRIUSMB-BRWVUGGUSA-N 2 1 382.549 0.968 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+](C)C ZINC000418856750 1192668982 /nfs/dbraw/zinc/66/89/82/1192668982.db2.gz XNTMBKSBPCSWGF-PBHICJAKSA-N 2 1 376.501 1.000 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418884170 1192679227 /nfs/dbraw/zinc/67/92/27/1192679227.db2.gz WGJXAMOZYZIJRS-MOPGFXCFSA-N 2 1 388.512 0.470 20 0 GCADMP C[C@@H]1CCCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)[C@@H]1C[NH3+] ZINC000418878611 1192674898 /nfs/dbraw/zinc/67/48/98/1192674898.db2.gz LQSZAUYDXBPFJB-ATZDWAIDSA-N 2 1 388.512 0.455 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCCO1 ZINC000418878124 1192676192 /nfs/dbraw/zinc/67/61/92/1192676192.db2.gz LBORNBBSXANFQC-YTQUADARSA-N 2 1 388.512 0.557 20 0 GCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418906119 1192685678 /nfs/dbraw/zinc/68/56/78/1192685678.db2.gz FJQHIMXKZXDZTQ-RTBURBONSA-N 2 1 386.496 0.203 20 0 GCADMP COCC1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000279919335 1192686764 /nfs/dbraw/zinc/68/67/64/1192686764.db2.gz NEGJLPUVVVFIAH-KRWDZBQOSA-N 2 1 375.517 0.725 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000418913427 1192690123 /nfs/dbraw/zinc/69/01/23/1192690123.db2.gz DYPLHVYSYZOFQJ-GUDVDZBRSA-N 2 1 394.560 0.840 20 0 GCADMP C[N@@H+](Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO)C1CCCCC1 ZINC000418923147 1192692232 /nfs/dbraw/zinc/69/22/32/1192692232.db2.gz MDACXJDQNCMRHT-UHFFFAOYSA-N 2 1 390.528 0.847 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000418927320 1192693024 /nfs/dbraw/zinc/69/30/24/1192693024.db2.gz SOQCTASYYQTXTP-QZTJIDSGSA-N 2 1 380.533 0.450 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942753 1192696692 /nfs/dbraw/zinc/69/66/92/1192696692.db2.gz AVENVOVWZQVJRG-UKRRQHHQSA-N 2 1 378.473 0.200 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942753 1192696693 /nfs/dbraw/zinc/69/66/93/1192696693.db2.gz AVENVOVWZQVJRG-UKRRQHHQSA-N 2 1 378.473 0.200 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc(OC)c1 ZINC000418942092 1192696767 /nfs/dbraw/zinc/69/67/67/1192696767.db2.gz AAJGRWKEMPULRX-OAHLLOKOSA-N 2 1 390.484 0.392 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc(OC)c1 ZINC000418942092 1192696771 /nfs/dbraw/zinc/69/67/71/1192696771.db2.gz AAJGRWKEMPULRX-OAHLLOKOSA-N 2 1 390.484 0.392 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956847 1192701716 /nfs/dbraw/zinc/70/17/16/1192701716.db2.gz CQNHZQKUPCCNCD-YJBOKZPZSA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956847 1192701720 /nfs/dbraw/zinc/70/17/20/1192701720.db2.gz CQNHZQKUPCCNCD-YJBOKZPZSA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956841 1192702072 /nfs/dbraw/zinc/70/20/72/1192702072.db2.gz CQNHZQKUPCCNCD-CRAIPNDOSA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C2)cc(OC)c1 ZINC000418956841 1192702074 /nfs/dbraw/zinc/70/20/74/1192702074.db2.gz CQNHZQKUPCCNCD-CRAIPNDOSA-N 2 1 392.500 0.494 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964258 1192704037 /nfs/dbraw/zinc/70/40/37/1192704037.db2.gz NCCBJNAYDDFCDZ-UKRRQHHQSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N[C@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964258 1192704040 /nfs/dbraw/zinc/70/40/40/1192704040.db2.gz NCCBJNAYDDFCDZ-UKRRQHHQSA-N 2 1 378.473 0.248 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418971472 1192706167 /nfs/dbraw/zinc/70/61/67/1192706167.db2.gz XPDZMTLAPIVPTP-OAHLLOKOSA-N 2 1 378.473 0.120 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418971472 1192706169 /nfs/dbraw/zinc/70/61/69/1192706169.db2.gz XPDZMTLAPIVPTP-OAHLLOKOSA-N 2 1 378.473 0.120 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000418992119 1192710973 /nfs/dbraw/zinc/71/09/73/1192710973.db2.gz ZILLRZFJOLPMIB-UWWQBHOKSA-N 2 1 376.476 0.927 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419021265 1192726263 /nfs/dbraw/zinc/72/62/63/1192726263.db2.gz GQLQTFBTHVXCDU-JFRXWTBNSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000419030167 1192729443 /nfs/dbraw/zinc/72/94/43/1192729443.db2.gz SPMHZLATADCCRH-ZACQAIPSSA-N 2 1 395.548 0.069 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)CCN1C1CC[NH+](C)CC1 ZINC000410584214 1192729533 /nfs/dbraw/zinc/72/95/33/1192729533.db2.gz LEBZTGCDWBWWCE-ZHALLVOQSA-N 2 1 391.560 0.308 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000419032071 1192731266 /nfs/dbraw/zinc/73/12/66/1192731266.db2.gz VYNRFFWJGGIZTA-BBWFWOEESA-N 2 1 382.549 0.825 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419033478 1192731738 /nfs/dbraw/zinc/73/17/38/1192731738.db2.gz CKPVVUAWVLHPAX-SUMWQHHRSA-N 2 1 388.516 0.764 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000419034617 1192733643 /nfs/dbraw/zinc/73/36/43/1192733643.db2.gz FXBJCNJGNBVPNU-OALUTQOASA-N 2 1 383.496 0.318 20 0 GCADMP C[NH+]1CCN([C@H](C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c2ccccc2)CC1 ZINC000237230411 1192734602 /nfs/dbraw/zinc/73/46/02/1192734602.db2.gz GOWCRKWLZQBFSH-OALUTQOASA-N 2 1 387.528 0.289 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)[C@@H](C)C1 ZINC000419038205 1192736036 /nfs/dbraw/zinc/73/60/36/1192736036.db2.gz JIAJEAQUGQTHAR-RYQLBKOJSA-N 2 1 382.549 0.873 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)[C@H](C)C1 ZINC000419038202 1192736079 /nfs/dbraw/zinc/73/60/79/1192736079.db2.gz JIAJEAQUGQTHAR-BPQIPLTHSA-N 2 1 382.549 0.873 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)c1 ZINC000419032557 1192733481 /nfs/dbraw/zinc/73/34/81/1192733481.db2.gz WAWMOEVTWLCLSA-PBHICJAKSA-N 2 1 376.501 0.984 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC[C@H](C)[C@@H]2C[NH3+])[C@H](C)C1 ZINC000419045605 1192740246 /nfs/dbraw/zinc/74/02/46/1192740246.db2.gz WRJOLNXSRPYDND-MHORFTMASA-N 2 1 382.549 0.825 20 0 GCADMP CCCN(C(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH2+]CC1 ZINC000419057969 1192750974 /nfs/dbraw/zinc/75/09/74/1192750974.db2.gz BCRMLISHJFPFHY-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP CC(C)([NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419063045 1192758333 /nfs/dbraw/zinc/75/83/33/1192758333.db2.gz BDWCSAYYKOIRND-UHFFFAOYSA-N 2 1 395.935 0.822 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419065927 1192759977 /nfs/dbraw/zinc/75/99/77/1192759977.db2.gz ZZYWFIYZQNGLKB-CGTJXYLNSA-N 2 1 376.501 0.493 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419064874 1192761496 /nfs/dbraw/zinc/76/14/96/1192761496.db2.gz CQLQJBIUPHYTMN-JKSUJKDBSA-N 2 1 376.501 0.495 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419064874 1192761497 /nfs/dbraw/zinc/76/14/97/1192761497.db2.gz CQLQJBIUPHYTMN-JKSUJKDBSA-N 2 1 376.501 0.495 20 0 GCADMP C[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419070411 1192766771 /nfs/dbraw/zinc/76/67/71/1192766771.db2.gz JYSLGTWMIQYVSU-UHFFFAOYSA-N 2 1 381.908 0.304 20 0 GCADMP CN(CC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419072405 1192767982 /nfs/dbraw/zinc/76/79/82/1192767982.db2.gz LQFDPWOCVRZYDP-UHFFFAOYSA-N 2 1 381.908 0.385 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419076849 1192770936 /nfs/dbraw/zinc/77/09/36/1192770936.db2.gz QHXHSOGNCYEKTJ-QFBILLFUSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CCCC[C@@H]3C[NH3+])c2)CCO1 ZINC000419076849 1192770940 /nfs/dbraw/zinc/77/09/40/1192770940.db2.gz QHXHSOGNCYEKTJ-QFBILLFUSA-N 2 1 388.512 0.863 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419079278 1192775572 /nfs/dbraw/zinc/77/55/72/1192775572.db2.gz UMKIYGMJNSZNBV-APWZRJJASA-N 2 1 388.512 0.734 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419079278 1192775576 /nfs/dbraw/zinc/77/55/76/1192775576.db2.gz UMKIYGMJNSZNBV-APWZRJJASA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078353 1192775718 /nfs/dbraw/zinc/77/57/18/1192775718.db2.gz SOROXBLMEGPNKF-GPMSIDNRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078353 1192775721 /nfs/dbraw/zinc/77/57/21/1192775721.db2.gz SOROXBLMEGPNKF-GPMSIDNRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078352 1192775914 /nfs/dbraw/zinc/77/59/14/1192775914.db2.gz SOROXBLMEGPNKF-GJYPPUQNSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C1 ZINC000419078352 1192775919 /nfs/dbraw/zinc/77/59/19/1192775919.db2.gz SOROXBLMEGPNKF-GJYPPUQNSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC000419083061 1192778755 /nfs/dbraw/zinc/77/87/55/1192778755.db2.gz JXCHMUAMTIMYQC-HZPDHXFCSA-N 2 1 380.533 0.593 20 0 GCADMP COCCC[N@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000509723173 1192780018 /nfs/dbraw/zinc/78/00/18/1192780018.db2.gz WHVZSGCXUUFYPY-UHFFFAOYSA-N 2 1 377.489 0.123 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000509723173 1192780020 /nfs/dbraw/zinc/78/00/20/1192780020.db2.gz WHVZSGCXUUFYPY-UHFFFAOYSA-N 2 1 377.489 0.123 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419089472 1192780646 /nfs/dbraw/zinc/78/06/46/1192780646.db2.gz SWZOBVNIQPCMMU-HOTGVXAUSA-N 2 1 382.549 0.839 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419098526 1192784275 /nfs/dbraw/zinc/78/42/75/1192784275.db2.gz CJSIAKSNIYYMLB-MSOLQXFVSA-N 2 1 388.512 0.508 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000419098030 1192784327 /nfs/dbraw/zinc/78/43/27/1192784327.db2.gz GJWAQEQODPUTJA-UHFFFAOYSA-N 3 1 387.528 0.307 20 0 GCADMP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419098030 1192784329 /nfs/dbraw/zinc/78/43/29/1192784329.db2.gz GJWAQEQODPUTJA-UHFFFAOYSA-N 2 1 387.528 0.307 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419098030 1192784336 /nfs/dbraw/zinc/78/43/36/1192784336.db2.gz GJWAQEQODPUTJA-UHFFFAOYSA-N 2 1 387.528 0.307 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109653 1192790866 /nfs/dbraw/zinc/79/08/66/1192790866.db2.gz BEJBBXCAXKDBJN-KURKYZTESA-N 2 1 382.549 0.873 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCOCC1 ZINC000419120287 1192793519 /nfs/dbraw/zinc/79/35/19/1192793519.db2.gz PZLPLUGAHFNAPK-XLIONFOSSA-N 2 1 380.533 0.452 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000419120201 1192793789 /nfs/dbraw/zinc/79/37/89/1192793789.db2.gz PVBRQJQIUXQVLT-OKYOBFRVSA-N 2 1 394.560 0.744 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C)[NH+]1CCN(C)CC1 ZINC000419122428 1192795000 /nfs/dbraw/zinc/79/50/00/1192795000.db2.gz FZTLGTROGJRMKK-DLBZAZTESA-N 2 1 381.565 0.269 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419123787 1192795932 /nfs/dbraw/zinc/79/59/32/1192795932.db2.gz WJKCEPAEESIHFT-KSZLIROESA-N 2 1 398.548 0.204 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419110964 1192798243 /nfs/dbraw/zinc/79/82/43/1192798243.db2.gz SSOJEPRPPRBPKM-ZWKOTPCHSA-N 2 1 388.512 0.589 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419117281 1192801766 /nfs/dbraw/zinc/80/17/66/1192801766.db2.gz MDGMKDZJDMUHRU-JQHSSLGASA-N 2 1 382.549 0.968 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419117286 1192801843 /nfs/dbraw/zinc/80/18/43/1192801843.db2.gz MDGMKDZJDMUHRU-NXHRZFHOSA-N 2 1 382.549 0.968 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000419117284 1192801861 /nfs/dbraw/zinc/80/18/61/1192801861.db2.gz MDGMKDZJDMUHRU-NJAFHUGGSA-N 2 1 382.549 0.968 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419118862 1192803454 /nfs/dbraw/zinc/80/34/54/1192803454.db2.gz OEVSFRPBPQODCE-ZWKOTPCHSA-N 2 1 382.549 0.873 20 0 GCADMP [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419131567 1192805435 /nfs/dbraw/zinc/80/54/35/1192805435.db2.gz ALFMJVNBUDNZQC-RTBURBONSA-N 2 1 388.512 0.734 20 0 GCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419131565 1192805901 /nfs/dbraw/zinc/80/59/01/1192805901.db2.gz ALFMJVNBUDNZQC-RBUKOAKNSA-N 2 1 388.512 0.734 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419160466 1192818722 /nfs/dbraw/zinc/81/87/22/1192818722.db2.gz HLIMUYVLDOZFAB-ZWKOTPCHSA-N 2 1 376.501 0.445 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419161465 1192819311 /nfs/dbraw/zinc/81/93/11/1192819311.db2.gz IYQYIDVYDHRLST-QZTJIDSGSA-N 2 1 376.501 0.364 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419161466 1192819504 /nfs/dbraw/zinc/81/95/04/1192819504.db2.gz IYQYIDVYDHRLST-ROUUACIJSA-N 2 1 376.501 0.364 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000419161879 1192821005 /nfs/dbraw/zinc/82/10/05/1192821005.db2.gz FLYOSSSQSQOQRU-NZSAHSFTSA-N 2 1 388.512 0.650 20 0 GCADMP O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419164129 1192821469 /nfs/dbraw/zinc/82/14/69/1192821469.db2.gz LIIAUVZIEHWYQT-CEXWTWQISA-N 2 1 386.496 0.072 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000419153766 1192823055 /nfs/dbraw/zinc/82/30/55/1192823055.db2.gz QHUBVASZYXBLMO-AYOQOUSVSA-N 2 1 386.496 0.610 20 0 GCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419163019 1192821790 /nfs/dbraw/zinc/82/17/90/1192821790.db2.gz IOWRXASHSHQLJO-GUDVDZBRSA-N 2 1 388.512 0.637 20 0 GCADMP O=C(NCC[C@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419165301 1192822567 /nfs/dbraw/zinc/82/25/67/1192822567.db2.gz NILSWADMZLPTFD-IEBWSBKVSA-N 2 1 388.512 0.510 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419166113 1192822627 /nfs/dbraw/zinc/82/26/27/1192822627.db2.gz OJSVJJJAJWLDLL-OALUTQOASA-N 2 1 388.512 0.510 20 0 GCADMP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167286 1192823183 /nfs/dbraw/zinc/82/31/83/1192823183.db2.gz QKJRVEMHRKLNBB-OALUTQOASA-N 2 1 388.512 0.462 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419156029 1192825111 /nfs/dbraw/zinc/82/51/11/1192825111.db2.gz BRGPQQCOOFVHKN-OALUTQOASA-N 2 1 390.528 0.835 20 0 GCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419174230 1192827029 /nfs/dbraw/zinc/82/70/29/1192827029.db2.gz VBBVHICDVCQYTC-KNQAVFIVSA-N 2 1 384.524 0.879 20 0 GCADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419174225 1192827352 /nfs/dbraw/zinc/82/73/52/1192827352.db2.gz VBBVHICDVCQYTC-DENIHFKCSA-N 2 1 384.524 0.879 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[C@H]1[NH3+] ZINC000419168355 1192829727 /nfs/dbraw/zinc/82/97/27/1192829727.db2.gz RSQAKNYAORHXGB-BHIYHBOVSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419196006 1192833209 /nfs/dbraw/zinc/83/32/09/1192833209.db2.gz AEFWIUKVPMTHDX-VQIMIIECSA-N 2 1 388.512 0.782 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1(C)C ZINC000419181054 1192833279 /nfs/dbraw/zinc/83/32/79/1192833279.db2.gz KLOLVNHWCZUCRF-ZWKOTPCHSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@H](CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+](C)Cc1ccccc1 ZINC000419185465 1192835136 /nfs/dbraw/zinc/83/51/36/1192835136.db2.gz DKCNCXKVILWWNT-SJLPKXTDSA-N 2 1 376.501 0.508 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419198325 1192837009 /nfs/dbraw/zinc/83/70/09/1192837009.db2.gz CDRNZYJUGUASHA-HRCADAONSA-N 2 1 376.501 0.623 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)CCC(F)(F)F ZINC000419197467 1192840594 /nfs/dbraw/zinc/84/05/94/1192840594.db2.gz BYIDPWROTOOIMZ-UHFFFAOYSA-N 2 1 378.439 0.979 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)CCC(F)(F)F ZINC000419197467 1192840603 /nfs/dbraw/zinc/84/06/03/1192840603.db2.gz BYIDPWROTOOIMZ-UHFFFAOYSA-N 2 1 378.439 0.979 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[NH2+]CC3)cc2)C[C@H](C)O1 ZINC000419200403 1192840689 /nfs/dbraw/zinc/84/06/89/1192840689.db2.gz FGQYGOWWEVWSRK-CALCHBBNSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000419202252 1192842727 /nfs/dbraw/zinc/84/27/27/1192842727.db2.gz GSOCSAKYVNHHEO-FCEWJHQRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419203046 1192844722 /nfs/dbraw/zinc/84/47/22/1192844722.db2.gz HJQULLYTUJYVMA-INIZCTEOSA-N 2 1 376.501 0.457 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893742963 1192848731 /nfs/dbraw/zinc/84/87/31/1192848731.db2.gz NPJHTLDQKMTBGZ-OKYOBFRVSA-N 2 1 380.533 0.605 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419204775 1192857985 /nfs/dbraw/zinc/85/79/85/1192857985.db2.gz JDVDLUCXTKVTPF-QFBILLFUSA-N 2 1 388.512 0.721 20 0 GCADMP CC[NH+]1CC[C@H]1CNC(=O)C(C)(C)OC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000893873871 1192870414 /nfs/dbraw/zinc/87/04/14/1192870414.db2.gz RNARCXDRFXQTEK-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC[N@@H+]1C ZINC000410729488 1192890333 /nfs/dbraw/zinc/89/03/33/1192890333.db2.gz IQLMLFSSVMXXQF-MJGOQNOKSA-N 2 1 393.576 0.412 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC[N@H+]1C ZINC000410729488 1192890340 /nfs/dbraw/zinc/89/03/40/1192890340.db2.gz IQLMLFSSVMXXQF-MJGOQNOKSA-N 2 1 393.576 0.412 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212253 1192900118 /nfs/dbraw/zinc/90/01/18/1192900118.db2.gz UNXNVPVFBNNHSZ-STQMWFEESA-N 2 1 382.427 0.342 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212253 1192900119 /nfs/dbraw/zinc/90/01/19/1192900119.db2.gz UNXNVPVFBNNHSZ-STQMWFEESA-N 2 1 382.427 0.342 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212251 1192902158 /nfs/dbraw/zinc/90/21/58/1192902158.db2.gz UNXNVPVFBNNHSZ-OLZOCXBDSA-N 2 1 382.427 0.342 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])CCC(F)(F)F ZINC000419212251 1192902160 /nfs/dbraw/zinc/90/21/60/1192902160.db2.gz UNXNVPVFBNNHSZ-OLZOCXBDSA-N 2 1 382.427 0.342 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)N1CCO ZINC000410843238 1192907662 /nfs/dbraw/zinc/90/76/62/1192907662.db2.gz MEVUGXRXAPFDKD-JZXOWHBKSA-N 2 1 380.533 0.090 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)[N@H+]1CCO ZINC000410843238 1192907663 /nfs/dbraw/zinc/90/76/63/1192907663.db2.gz MEVUGXRXAPFDKD-JZXOWHBKSA-N 2 1 380.533 0.090 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000410843238 1192907667 /nfs/dbraw/zinc/90/76/67/1192907667.db2.gz MEVUGXRXAPFDKD-JZXOWHBKSA-N 2 1 380.533 0.090 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000410843238 1192907669 /nfs/dbraw/zinc/90/76/69/1192907669.db2.gz MEVUGXRXAPFDKD-JZXOWHBKSA-N 2 1 380.533 0.090 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000410843238 1192907672 /nfs/dbraw/zinc/90/76/72/1192907672.db2.gz MEVUGXRXAPFDKD-JZXOWHBKSA-N 2 1 380.533 0.090 20 0 GCADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512584409 1192911591 /nfs/dbraw/zinc/91/15/91/1192911591.db2.gz XYJAGVOFZNUGMU-OALUTQOASA-N 2 1 383.581 0.939 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O ZINC000428743145 1192922726 /nfs/dbraw/zinc/92/27/26/1192922726.db2.gz VVXXSXACVAXZEG-NVXWUHKLSA-N 2 1 381.521 0.221 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000428743145 1192922727 /nfs/dbraw/zinc/92/27/27/1192922727.db2.gz VVXXSXACVAXZEG-NVXWUHKLSA-N 2 1 381.521 0.221 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000428743145 1192922730 /nfs/dbraw/zinc/92/27/30/1192922730.db2.gz VVXXSXACVAXZEG-NVXWUHKLSA-N 2 1 381.521 0.221 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)C1 ZINC000410991169 1192922960 /nfs/dbraw/zinc/92/29/60/1192922960.db2.gz USUUQQGREKGENT-KSZLIROESA-N 2 1 380.533 0.498 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)cc1 ZINC000274525336 1184087251 /nfs/dbraw/zinc/08/72/51/1184087251.db2.gz ZAUBILMNUTVADV-UHFFFAOYSA-N 2 1 391.516 0.197 20 0 GCADMP CC[NH+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000274525336 1184087260 /nfs/dbraw/zinc/08/72/60/1184087260.db2.gz ZAUBILMNUTVADV-UHFFFAOYSA-N 2 1 391.516 0.197 20 0 GCADMP CC[NH+](CCO)CCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000274525336 1184087272 /nfs/dbraw/zinc/08/72/72/1184087272.db2.gz ZAUBILMNUTVADV-UHFFFAOYSA-N 2 1 391.516 0.197 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654799680 1184145024 /nfs/dbraw/zinc/14/50/24/1184145024.db2.gz UILJOXMSGKZJAU-OALUTQOASA-N 2 1 396.601 0.727 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643545787 1184164559 /nfs/dbraw/zinc/16/45/59/1184164559.db2.gz CHVUCRJSDOUBHI-SQNIBIBYSA-N 2 1 394.560 0.528 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000643545787 1184164564 /nfs/dbraw/zinc/16/45/64/1184164564.db2.gz CHVUCRJSDOUBHI-SQNIBIBYSA-N 2 1 394.560 0.528 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[NH+]2C)O1 ZINC000616385806 1184204815 /nfs/dbraw/zinc/20/48/15/1184204815.db2.gz IFPNQZHVXALCPU-USTZCAOPSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)O1 ZINC000616385806 1184204826 /nfs/dbraw/zinc/20/48/26/1184204826.db2.gz IFPNQZHVXALCPU-USTZCAOPSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)[C@H]1CC[C@@H](C(=O)N(C)C[C@@H]2CCC[N@H+]2C)O1 ZINC000616385806 1184204830 /nfs/dbraw/zinc/20/48/30/1184204830.db2.gz IFPNQZHVXALCPU-USTZCAOPSA-N 2 1 380.533 0.639 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418967040 1184275060 /nfs/dbraw/zinc/27/50/60/1184275060.db2.gz RHVHIQIEHOGQGY-HNNXBMFYSA-N 2 1 378.473 0.072 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418967040 1184275064 /nfs/dbraw/zinc/27/50/64/1184275064.db2.gz RHVHIQIEHOGQGY-HNNXBMFYSA-N 2 1 378.473 0.072 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1C[C@H](C)O ZINC001772505615 1184319861 /nfs/dbraw/zinc/31/98/61/1184319861.db2.gz ALDMINALDMXOFZ-IXDOHACOSA-N 2 1 380.533 0.281 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1C[C@H](C)O ZINC001772505615 1184319870 /nfs/dbraw/zinc/31/98/70/1184319870.db2.gz ALDMINALDMXOFZ-IXDOHACOSA-N 2 1 380.533 0.281 20 0 GCADMP CN1CCN(Cc2cccc(NC(=O)C(=O)N3CCC(CC[NH3+])CC3)c2)CC1 ZINC000579848043 1184322501 /nfs/dbraw/zinc/32/25/01/1184322501.db2.gz KXJLIEUNWJQZDS-UHFFFAOYSA-N 2 1 387.528 0.960 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000579866797 1184407661 /nfs/dbraw/zinc/40/76/61/1184407661.db2.gz HMPFONSSINYFMB-WMZOPIPTSA-N 2 1 390.528 0.885 20 0 GCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1[NH+]1CCOCC1 ZINC000246070518 1184466067 /nfs/dbraw/zinc/46/60/67/1184466067.db2.gz CLGUCIYHTOAJOR-LMMKCTJWSA-N 2 1 380.533 0.849 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)c3occc3C[NH+](C)C)[C@@H](O)C2)CC[N@H+]1C ZINC000970145428 1184589120 /nfs/dbraw/zinc/58/91/20/1184589120.db2.gz SJHDPYLCNJUCOL-HZMVEIRTSA-N 2 1 392.500 0.373 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275466461 1184680068 /nfs/dbraw/zinc/68/00/68/1184680068.db2.gz AEFZTMMQFWSSPZ-QGZVFWFLSA-N 2 1 389.544 0.871 20 0 GCADMP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000579931112 1184737096 /nfs/dbraw/zinc/73/70/96/1184737096.db2.gz DCTYTTRRMBPTIH-IEBWSBKVSA-N 2 1 375.517 0.875 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642729107 1184756265 /nfs/dbraw/zinc/75/62/65/1184756265.db2.gz JVGBCDUZWTVKIZ-MSOLQXFVSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642729107 1184756271 /nfs/dbraw/zinc/75/62/71/1184756271.db2.gz JVGBCDUZWTVKIZ-MSOLQXFVSA-N 2 1 390.553 0.979 20 0 GCADMP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000579954447 1184823368 /nfs/dbraw/zinc/82/33/68/1184823368.db2.gz YQBGOLXCERZMRM-SFHVURJKSA-N 2 1 391.560 0.073 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642744074 1184852300 /nfs/dbraw/zinc/85/23/00/1184852300.db2.gz XXTDXLNRDGQDNR-HBFSDRIKSA-N 2 1 399.539 0.524 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642744863 1184858488 /nfs/dbraw/zinc/85/84/88/1184858488.db2.gz HSFDDPNXYXDSDJ-LZLYRXPVSA-N 2 1 376.501 0.364 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642744863 1184858492 /nfs/dbraw/zinc/85/84/92/1184858492.db2.gz HSFDDPNXYXDSDJ-LZLYRXPVSA-N 2 1 376.501 0.364 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[NH+]3CCC(C)(C)C3)[C@@H](O)C2)CC[N@H+]1C ZINC000970657404 1184933309 /nfs/dbraw/zinc/93/33/09/1184933309.db2.gz ULFYMRIPJCDMMJ-HZMVEIRTSA-N 2 1 380.533 0.137 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)[C@@H](O)C2)CC[NH+]1C ZINC000970657404 1184933311 /nfs/dbraw/zinc/93/33/11/1184933311.db2.gz ULFYMRIPJCDMMJ-HZMVEIRTSA-N 2 1 380.533 0.137 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NC(=O)C[N@H+]3CCC(C)(C)C3)[C@@H](O)C2)CC[NH+]1C ZINC000970657404 1184933314 /nfs/dbraw/zinc/93/33/14/1184933314.db2.gz ULFYMRIPJCDMMJ-HZMVEIRTSA-N 2 1 380.533 0.137 20 0 GCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)nn1 ZINC000656029038 1184964465 /nfs/dbraw/zinc/96/44/65/1184964465.db2.gz URYUWVKHDWOGCK-IKGGRYGDSA-N 2 1 389.504 0.033 20 0 GCADMP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)nn1 ZINC000656029039 1184964870 /nfs/dbraw/zinc/96/48/70/1184964870.db2.gz URYUWVKHDWOGCK-IXDOHACOSA-N 2 1 389.504 0.033 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275743284 1184996795 /nfs/dbraw/zinc/99/67/95/1184996795.db2.gz WZDSHAOOLUUIOW-UHFFFAOYSA-N 2 1 390.484 0.881 20 0 GCADMP C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000580053816 1185036263 /nfs/dbraw/zinc/03/62/63/1185036263.db2.gz URYFDTFPABACFS-YTQUADARSA-N 2 1 375.517 0.560 20 0 GCADMP C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000580053816 1185036269 /nfs/dbraw/zinc/03/62/69/1185036269.db2.gz URYFDTFPABACFS-YTQUADARSA-N 2 1 375.517 0.560 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)NCC[NH+]1CCCCC1 ZINC000045195033 1185043367 /nfs/dbraw/zinc/04/33/67/1185043367.db2.gz KHBJZEXAJQSAAD-UHFFFAOYSA-N 2 1 375.521 0.774 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000580106126 1185066175 /nfs/dbraw/zinc/06/61/75/1185066175.db2.gz DFLPBGVEPNTMRW-DLBZAZTESA-N 2 1 377.489 0.192 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000580173430 1185104812 /nfs/dbraw/zinc/10/48/12/1185104812.db2.gz LVIXBMOAAMEDAO-SJORKVTESA-N 2 1 378.517 0.206 20 0 GCADMP O=C(CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NC(=O)Nc1ccccc1 ZINC000580293591 1185141405 /nfs/dbraw/zinc/14/14/05/1185141405.db2.gz KZMHAGWPFPTAJR-UHFFFAOYSA-N 2 1 390.484 0.884 20 0 GCADMP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000275832502 1185169244 /nfs/dbraw/zinc/16/92/44/1185169244.db2.gz DOGIRIYAQRJUNZ-MRXNPFEDSA-N 2 1 392.500 0.761 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCCO1 ZINC000580354456 1185196266 /nfs/dbraw/zinc/19/62/66/1185196266.db2.gz DXLKCMMDLLLCFZ-ROUUACIJSA-N 2 1 380.533 0.690 20 0 GCADMP CC[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CCC[N@H+]3CC(C)C)C2)CC1 ZINC000580366592 1185203958 /nfs/dbraw/zinc/20/39/58/1185203958.db2.gz IXVXPMDBCGKEOE-MOPGFXCFSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC001021636498 1185225237 /nfs/dbraw/zinc/22/52/37/1185225237.db2.gz RBPYUVFKAOOBQK-QXCFHYIPSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC4CC[NH+](C)CC4)[C@@H]3C2)O1 ZINC001021636498 1185225244 /nfs/dbraw/zinc/22/52/44/1185225244.db2.gz RBPYUVFKAOOBQK-QXCFHYIPSA-N 2 1 392.544 0.497 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000580476931 1185245243 /nfs/dbraw/zinc/24/52/43/1185245243.db2.gz PEKSMRSXPPVXCH-QRQLOZEOSA-N 2 1 392.544 0.614 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)[NH+]1CCC(C)CC1 ZINC000580535660 1185265775 /nfs/dbraw/zinc/26/57/75/1185265775.db2.gz RXMUAIIDURDYNT-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000580668562 1185301965 /nfs/dbraw/zinc/30/19/65/1185301965.db2.gz ONMFNARUOVRWAK-GOSISDBHSA-N 2 1 381.565 0.463 20 0 GCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000580668562 1185301972 /nfs/dbraw/zinc/30/19/72/1185301972.db2.gz ONMFNARUOVRWAK-GOSISDBHSA-N 2 1 381.565 0.463 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000580668562 1185301981 /nfs/dbraw/zinc/30/19/81/1185301981.db2.gz ONMFNARUOVRWAK-GOSISDBHSA-N 2 1 381.565 0.463 20 0 GCADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000580722844 1185315190 /nfs/dbraw/zinc/31/51/90/1185315190.db2.gz HMFOPKADOOWIMP-WOJBJXKFSA-N 2 1 384.565 0.192 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000580722844 1185315196 /nfs/dbraw/zinc/31/51/96/1185315196.db2.gz HMFOPKADOOWIMP-WOJBJXKFSA-N 2 1 384.565 0.192 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000580722844 1185315200 /nfs/dbraw/zinc/31/52/00/1185315200.db2.gz HMFOPKADOOWIMP-WOJBJXKFSA-N 2 1 384.565 0.192 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000580752140 1185340191 /nfs/dbraw/zinc/34/01/91/1185340191.db2.gz SXTXHLCXKCJGJH-QGZVFWFLSA-N 2 1 397.564 0.681 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(C)CC[NH+]1CCOC(C)(C)C1 ZINC000580752140 1185340196 /nfs/dbraw/zinc/34/01/96/1185340196.db2.gz SXTXHLCXKCJGJH-QGZVFWFLSA-N 2 1 397.564 0.681 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000580752140 1185340202 /nfs/dbraw/zinc/34/02/02/1185340202.db2.gz SXTXHLCXKCJGJH-QGZVFWFLSA-N 2 1 397.564 0.681 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[NH+]1CCCNC(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000580752140 1185340206 /nfs/dbraw/zinc/34/02/06/1185340206.db2.gz SXTXHLCXKCJGJH-QGZVFWFLSA-N 2 1 397.564 0.681 20 0 GCADMP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275973368 1185346266 /nfs/dbraw/zinc/34/62/66/1185346266.db2.gz VADVQTLZAZJVSI-UHFFFAOYSA-N 2 1 375.473 0.678 20 0 GCADMP CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000275973368 1185346273 /nfs/dbraw/zinc/34/62/73/1185346273.db2.gz VADVQTLZAZJVSI-UHFFFAOYSA-N 2 1 375.473 0.678 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656308849 1185383698 /nfs/dbraw/zinc/38/36/98/1185383698.db2.gz JGXFECWSNLUSJB-MSOLQXFVSA-N 2 1 380.533 0.737 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000580830966 1185390294 /nfs/dbraw/zinc/39/02/94/1185390294.db2.gz WMNHGTRPMIQIAQ-RDJZCZTQSA-N 2 1 387.484 0.191 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000580847059 1185393981 /nfs/dbraw/zinc/39/39/81/1185393981.db2.gz LYONUMMNCFBNOF-UHFFFAOYSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337539 1185434299 /nfs/dbraw/zinc/43/42/99/1185434299.db2.gz UNMGXNQVTGSWPL-WCXIOVBPSA-N 2 1 382.549 0.837 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000580950115 1185439855 /nfs/dbraw/zinc/43/98/55/1185439855.db2.gz DYSLIQMEQSCPRD-QGZVFWFLSA-N 2 1 385.516 0.958 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656354128 1185448863 /nfs/dbraw/zinc/44/88/63/1185448863.db2.gz FCWPMHWQZFYUCU-RCCFBDPRSA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656361022 1185464320 /nfs/dbraw/zinc/46/43/20/1185464320.db2.gz XMOQILZOXYLMKR-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CC[NH+](CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656361024 1185464620 /nfs/dbraw/zinc/46/46/20/1185464620.db2.gz XMOQILZOXYLMKR-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000581031572 1185472368 /nfs/dbraw/zinc/47/23/68/1185472368.db2.gz IRQKPMPOJONOKJ-IBGZPJMESA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000581031572 1185472376 /nfs/dbraw/zinc/47/23/76/1185472376.db2.gz IRQKPMPOJONOKJ-IBGZPJMESA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408383 1185505254 /nfs/dbraw/zinc/50/52/54/1185505254.db2.gz CPNYLXWEQWLSSA-ZWKOTPCHSA-N 2 1 376.501 0.460 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408383 1185505258 /nfs/dbraw/zinc/50/52/58/1185505258.db2.gz CPNYLXWEQWLSSA-ZWKOTPCHSA-N 2 1 376.501 0.460 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133161 1185509858 /nfs/dbraw/zinc/50/98/58/1185509858.db2.gz ZDEHFEBDGNRYBH-QZTJIDSGSA-N 3 1 375.517 0.192 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000581133161 1185509864 /nfs/dbraw/zinc/50/98/64/1185509864.db2.gz ZDEHFEBDGNRYBH-QZTJIDSGSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000581204665 1185528712 /nfs/dbraw/zinc/52/87/12/1185528712.db2.gz VCCLJLWNHLYNOD-INIZCTEOSA-N 2 1 382.549 0.671 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000581204665 1185528716 /nfs/dbraw/zinc/52/87/16/1185528716.db2.gz VCCLJLWNHLYNOD-INIZCTEOSA-N 2 1 382.549 0.671 20 0 GCADMP CC(C)(C)NC(=O)CN1CCN(C(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000581254592 1185556866 /nfs/dbraw/zinc/55/68/66/1185556866.db2.gz NZYROMSZTWKXQH-ULQDDVLXSA-N 2 1 379.549 0.105 20 0 GCADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559582 1185596904 /nfs/dbraw/zinc/59/69/04/1185596904.db2.gz DNOIALIBOOEHEL-YOEHRIQHSA-N 2 1 384.546 0.686 20 0 GCADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000430559582 1185596909 /nfs/dbraw/zinc/59/69/09/1185596909.db2.gz DNOIALIBOOEHEL-YOEHRIQHSA-N 2 1 384.546 0.686 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562078 1185605766 /nfs/dbraw/zinc/60/57/66/1185605766.db2.gz CHSZLABHLAQITL-HUUCEWRRSA-N 2 1 386.504 0.071 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)C1 ZINC000430562078 1185605773 /nfs/dbraw/zinc/60/57/73/1185605773.db2.gz CHSZLABHLAQITL-HUUCEWRRSA-N 2 1 386.504 0.071 20 0 GCADMP COc1ccc(C[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)nn1 ZINC001104347194 1185621003 /nfs/dbraw/zinc/62/10/03/1185621003.db2.gz SEZOXLHRXUKJTF-YFHUEUNASA-N 2 1 391.516 0.779 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576449 1185631408 /nfs/dbraw/zinc/63/14/08/1185631408.db2.gz XILQKNPOWWWHJF-YXWQFLTLSA-N 2 1 382.530 0.959 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576449 1185631409 /nfs/dbraw/zinc/63/14/09/1185631409.db2.gz XILQKNPOWWWHJF-YXWQFLTLSA-N 2 1 382.530 0.959 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)O1 ZINC001021885467 1185659655 /nfs/dbraw/zinc/65/96/55/1185659655.db2.gz NKKFFAAYHOTPHY-FCGDIQPGSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCCCC4)[C@@H]3C2)O1 ZINC001021885467 1185659662 /nfs/dbraw/zinc/65/96/62/1185659662.db2.gz NKKFFAAYHOTPHY-FCGDIQPGSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436864 1185689438 /nfs/dbraw/zinc/68/94/38/1185689438.db2.gz FICIHDDSYNJSDR-HZPDHXFCSA-N 2 1 383.514 0.898 20 0 GCADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436864 1185689443 /nfs/dbraw/zinc/68/94/43/1185689443.db2.gz FICIHDDSYNJSDR-HZPDHXFCSA-N 2 1 383.514 0.898 20 0 GCADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC000430603083 1185695343 /nfs/dbraw/zinc/69/53/43/1185695343.db2.gz XSHAGUCEHGENAP-UHFFFAOYSA-N 2 1 384.502 0.603 20 0 GCADMP C[N@@H+](CCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000891412299 1185711568 /nfs/dbraw/zinc/71/15/68/1185711568.db2.gz JAMATELLHPRZGW-KURKYZTESA-N 2 1 387.484 0.695 20 0 GCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424396 1185743614 /nfs/dbraw/zinc/74/36/14/1185743614.db2.gz USXJALMRWBWVAG-HTPGKPQGSA-N 2 1 393.532 0.929 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000430609667 1185751802 /nfs/dbraw/zinc/75/18/02/1185751802.db2.gz IGLBFCOBEWMYNN-LLVKDONJSA-N 2 1 384.383 0.734 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000430609667 1185751806 /nfs/dbraw/zinc/75/18/06/1185751806.db2.gz IGLBFCOBEWMYNN-LLVKDONJSA-N 2 1 384.383 0.734 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N[C@H]1CCOc2ccccc21 ZINC000430611001 1185753171 /nfs/dbraw/zinc/75/31/71/1185753171.db2.gz NBNOWRJVQSLTPA-WMZOPIPTSA-N 2 1 386.496 0.770 20 0 GCADMP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430610154 1185758289 /nfs/dbraw/zinc/75/82/89/1185758289.db2.gz KEUPWICKKHZIPZ-BRWVUGGUSA-N 2 1 393.532 0.535 20 0 GCADMP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430614940 1185769863 /nfs/dbraw/zinc/76/98/63/1185769863.db2.gz ANXDAKAQJYOEPZ-CEXWTWQISA-N 2 1 394.560 0.842 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)O1 ZINC001022017884 1185773133 /nfs/dbraw/zinc/77/31/33/1185773133.db2.gz RDBRGOPKWRYNSX-FCGDIQPGSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCCCC4)C[C@H]32)O1 ZINC001022017884 1185773139 /nfs/dbraw/zinc/77/31/39/1185773139.db2.gz RDBRGOPKWRYNSX-FCGDIQPGSA-N 2 1 392.544 0.641 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000430614289 1185776292 /nfs/dbraw/zinc/77/62/92/1185776292.db2.gz XWKASTGSCDAPDL-AEFFLSMTSA-N 2 1 392.475 0.513 20 0 GCADMP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619895 1185793379 /nfs/dbraw/zinc/79/33/79/1185793379.db2.gz BLXWEOQUYSAVFY-HIFRSBDPSA-N 2 1 375.473 0.160 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619358 1185795217 /nfs/dbraw/zinc/79/52/17/1185795217.db2.gz BBLMFVYQCIBYCT-UKRRQHHQSA-N 2 1 375.473 0.759 20 0 GCADMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430619352 1185795238 /nfs/dbraw/zinc/79/52/38/1185795238.db2.gz BBLMFVYQCIBYCT-DZGCQCFKSA-N 2 1 375.473 0.759 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000430620686 1185797064 /nfs/dbraw/zinc/79/70/64/1185797064.db2.gz COLSEDINKHJCEU-QZTJIDSGSA-N 2 1 386.496 0.250 20 0 GCADMP COc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623850 1185805124 /nfs/dbraw/zinc/80/51/24/1185805124.db2.gz NOJAHKDQNDNFGO-KGLIPLIRSA-N 2 1 378.473 0.818 20 0 GCADMP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(OC)c1 ZINC000430623850 1185805127 /nfs/dbraw/zinc/80/51/27/1185805127.db2.gz NOJAHKDQNDNFGO-KGLIPLIRSA-N 2 1 378.473 0.818 20 0 GCADMP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430627192 1185813752 /nfs/dbraw/zinc/81/37/52/1185813752.db2.gz MQWRQJVXMLFZDT-MRXNPFEDSA-N 2 1 389.500 0.091 20 0 GCADMP CCc1ccccc1NC(=O)CNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430627192 1185813764 /nfs/dbraw/zinc/81/37/64/1185813764.db2.gz MQWRQJVXMLFZDT-MRXNPFEDSA-N 2 1 389.500 0.091 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430631563 1185820724 /nfs/dbraw/zinc/82/07/24/1185820724.db2.gz UWCOUSPGCGCIHW-INIZCTEOSA-N 2 1 375.473 0.189 20 0 GCADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430633912 1185822002 /nfs/dbraw/zinc/82/20/02/1185822002.db2.gz CMRPKQVOWGBPIN-INIZCTEOSA-N 2 1 387.484 0.258 20 0 GCADMP C[C@H](C(=O)NCCc1cccs1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637591 1185839818 /nfs/dbraw/zinc/83/98/18/1185839818.db2.gz CSCQXPFLKFFHPC-CVEARBPZSA-N 2 1 378.542 0.939 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NC1CCCCC1 ZINC000430637401 1185841219 /nfs/dbraw/zinc/84/12/19/1185841219.db2.gz BAXKNLHRZBDLSB-HNNXBMFYSA-N 2 1 379.505 0.289 20 0 GCADMP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430648130 1185866623 /nfs/dbraw/zinc/86/66/23/1185866623.db2.gz YZQIPURJVQLUOI-ZIAGYGMSSA-N 2 1 382.455 0.799 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000656890036 1185870660 /nfs/dbraw/zinc/87/06/60/1185870660.db2.gz DPRVWJCFENFCLH-KSZLIROESA-N 2 1 391.578 0.716 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@H](OC)[C@H]1CCOC1 ZINC000656890036 1185870663 /nfs/dbraw/zinc/87/06/63/1185870663.db2.gz DPRVWJCFENFCLH-KSZLIROESA-N 2 1 391.578 0.716 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891481802 1185886948 /nfs/dbraw/zinc/88/69/48/1185886948.db2.gz HFACGNCUOOPMIY-AWEZNQCLSA-N 2 1 394.545 0.612 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484813 1185888404 /nfs/dbraw/zinc/88/84/04/1185888404.db2.gz YDLXDBQEJHTVLN-SJORKVTESA-N 2 1 395.548 0.387 20 0 GCADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891536898 1185910174 /nfs/dbraw/zinc/91/01/74/1185910174.db2.gz WYDZIGCTTSSNIV-MIGQKNRLSA-N 2 1 376.461 0.404 20 0 GCADMP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000891565021 1185920527 /nfs/dbraw/zinc/92/05/27/1185920527.db2.gz OIUVEEPOIKXMLS-LJQANCHMSA-N 2 1 387.528 0.538 20 0 GCADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000891563301 1185921699 /nfs/dbraw/zinc/92/16/99/1185921699.db2.gz CQYOPBZNJAIPAZ-YLJYHZDGSA-N 2 1 381.565 0.799 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C(F)(F)F ZINC000891567083 1185922631 /nfs/dbraw/zinc/92/26/31/1185922631.db2.gz VKBGPMIIIDTDMJ-QLFBSQMISA-N 2 1 393.454 0.172 20 0 GCADMP C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)N(C)CC(=O)N1CCN(C)CC1 ZINC000548275344 1185928082 /nfs/dbraw/zinc/92/80/82/1185928082.db2.gz WMUZSHIEWJBXFV-INIZCTEOSA-N 2 1 394.541 0.993 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419898356 1185975772 /nfs/dbraw/zinc/97/57/72/1185975772.db2.gz PLLRYSFYENKMLU-MHORFTMASA-N 2 1 379.549 0.390 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419891207 1185977093 /nfs/dbraw/zinc/97/70/93/1185977093.db2.gz IIXHZFJKFIFMBI-MSOLQXFVSA-N 2 1 382.549 0.970 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698010 1185982629 /nfs/dbraw/zinc/98/26/29/1185982629.db2.gz WGOUAVMTNCCCGD-TVFCKZIOSA-N 2 1 393.532 0.931 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@@H](C)O1 ZINC000581932906 1185994943 /nfs/dbraw/zinc/99/49/43/1185994943.db2.gz UZGHNFIZGCKWTI-BFYDXBDKSA-N 2 1 393.536 0.971 20 0 GCADMP Cc1c(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)nnn1C1CC[NH2+]CC1 ZINC000430786359 1186029411 /nfs/dbraw/zinc/02/94/11/1186029411.db2.gz ANPXXYSNBCUCJQ-UHFFFAOYSA-N 2 1 399.503 0.329 20 0 GCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000430798814 1186030868 /nfs/dbraw/zinc/03/08/68/1186030868.db2.gz VCRFJCMUAMCINX-LJQANCHMSA-N 2 1 388.512 0.462 20 0 GCADMP COCC[C@@]1(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000430803976 1186032869 /nfs/dbraw/zinc/03/28/69/1186032869.db2.gz BHYCCXHXCHMYKY-PXNSSMCTSA-N 2 1 375.517 0.725 20 0 GCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cn2)CC1 ZINC000430866919 1186044234 /nfs/dbraw/zinc/04/42/34/1186044234.db2.gz QXCXNLRUEKUKBJ-DLBZAZTESA-N 2 1 376.505 0.893 20 0 GCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000891823482 1186063346 /nfs/dbraw/zinc/06/33/46/1186063346.db2.gz ABAPGPFQELYSNF-RTBURBONSA-N 2 1 385.512 0.920 20 0 GCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000891823482 1186063349 /nfs/dbraw/zinc/06/33/49/1186063349.db2.gz ABAPGPFQELYSNF-RTBURBONSA-N 2 1 385.512 0.920 20 0 GCADMP CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430968985 1186077280 /nfs/dbraw/zinc/07/72/80/1186077280.db2.gz XZYZVYSEHDBPAQ-QGZVFWFLSA-N 2 1 387.528 0.612 20 0 GCADMP CCc1ccccc1NC(=O)CN1CCN(C(=O)C[N@H+]2CC[C@H](C[NH3+])C2)CC1 ZINC000430968985 1186077290 /nfs/dbraw/zinc/07/72/90/1186077290.db2.gz XZYZVYSEHDBPAQ-QGZVFWFLSA-N 2 1 387.528 0.612 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CCOCC2)C[C@@H]1C(F)(F)F ZINC000891952787 1186196576 /nfs/dbraw/zinc/19/65/76/1186196576.db2.gz KIQCENUWSWXPJZ-KBPBESRZSA-N 2 1 394.438 0.646 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NCC1([NH+]2CCOCC2)CCOCC1 ZINC000891954518 1186201276 /nfs/dbraw/zinc/20/12/76/1186201276.db2.gz WTEHRHCEZIVRQX-AWEZNQCLSA-N 2 1 376.448 0.412 20 0 GCADMP C[C@@]12CN(C(=O)NCC(=O)N3CC[NH2+]CC3)C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000891971876 1186268298 /nfs/dbraw/zinc/26/82/98/1186268298.db2.gz ZFNXSFZYNYTLDU-GHTZIAJQSA-N 2 1 385.512 0.582 20 0 GCADMP COC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000563153032 1186313539 /nfs/dbraw/zinc/31/35/39/1186313539.db2.gz MDUMVDRPONDTJU-MRXNPFEDSA-N 2 1 375.469 0.996 20 0 GCADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892087780 1186334275 /nfs/dbraw/zinc/33/42/75/1186334275.db2.gz HYDXUZFNRZLYQU-FQEVSTJZSA-N 2 1 387.528 0.886 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000582140831 1186433211 /nfs/dbraw/zinc/43/32/11/1186433211.db2.gz CENVVOXSAAAIIM-JENIJYKNSA-N 2 1 392.544 0.546 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000582140833 1186433745 /nfs/dbraw/zinc/43/37/45/1186433745.db2.gz CENVVOXSAAAIIM-ZHALLVOQSA-N 2 1 392.544 0.546 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000582195542 1186460948 /nfs/dbraw/zinc/46/09/48/1186460948.db2.gz HNYGUTXRDHYRLU-ROUUACIJSA-N 2 1 381.565 0.367 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000582256241 1186476482 /nfs/dbraw/zinc/47/64/82/1186476482.db2.gz KCKFZCPLHZQPTQ-RTBURBONSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000582256241 1186476489 /nfs/dbraw/zinc/47/64/89/1186476489.db2.gz KCKFZCPLHZQPTQ-RTBURBONSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000582256241 1186476493 /nfs/dbraw/zinc/47/64/93/1186476493.db2.gz KCKFZCPLHZQPTQ-RTBURBONSA-N 2 1 395.592 0.613 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000582263768 1186479030 /nfs/dbraw/zinc/47/90/30/1186479030.db2.gz IPPJFSZVZNZQNV-CGTJXYLNSA-N 2 1 380.533 0.281 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000511097122 1186492435 /nfs/dbraw/zinc/49/24/35/1186492435.db2.gz VNLRNZZCHWUGES-KZNAEPCWSA-N 2 1 380.533 0.546 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CC[NH+]2CCOCC2)CC1=O ZINC000511097122 1186492442 /nfs/dbraw/zinc/49/24/42/1186492442.db2.gz VNLRNZZCHWUGES-KZNAEPCWSA-N 2 1 380.533 0.546 20 0 GCADMP CCc1nnc(N(C)CCN2CCOCC2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001709046930 1186522189 /nfs/dbraw/zinc/52/21/89/1186522189.db2.gz RFVQQJFKOJQGQB-QGZVFWFLSA-N 2 1 380.537 0.456 20 0 GCADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)COCC(=O)N1CCC[N@H+](C)C[C@H]1CC ZINC000684864586 1186525983 /nfs/dbraw/zinc/52/59/83/1186525983.db2.gz LXHWWJBWZXALHE-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@@H+]3C)CC2)CC1 ZINC000329056849 1186526694 /nfs/dbraw/zinc/52/66/94/1186526694.db2.gz YCUCMXFQGWOOQX-ROUUACIJSA-N 2 1 380.533 0.498 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)CC2)CC1 ZINC000329056849 1186526698 /nfs/dbraw/zinc/52/66/98/1186526698.db2.gz YCUCMXFQGWOOQX-ROUUACIJSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C[C@@H](C)O1 ZINC000582434371 1186531143 /nfs/dbraw/zinc/53/11/43/1186531143.db2.gz RVDVSUGTGLEEEB-TVFCKZIOSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C[C@@H](C)O1 ZINC000582434371 1186531144 /nfs/dbraw/zinc/53/11/44/1186531144.db2.gz RVDVSUGTGLEEEB-TVFCKZIOSA-N 2 1 394.560 0.933 20 0 GCADMP CN1CCN(C(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+](C)CC1 ZINC000888980836 1186578878 /nfs/dbraw/zinc/57/88/78/1186578878.db2.gz RLLCMMKLJLMMQC-MRXNPFEDSA-N 2 1 385.553 0.537 20 0 GCADMP CN1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)[C@@H](C[NH3+])C1 ZINC000582600498 1186581041 /nfs/dbraw/zinc/58/10/41/1186581041.db2.gz TVGJGZSMCOABEC-SIKLNZKXSA-N 2 1 399.539 0.212 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000582624756 1186588098 /nfs/dbraw/zinc/58/80/98/1186588098.db2.gz QZVQDUQSIXVLLZ-UHFFFAOYSA-N 2 1 395.592 0.707 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000582624756 1186588101 /nfs/dbraw/zinc/58/81/01/1186588101.db2.gz QZVQDUQSIXVLLZ-UHFFFAOYSA-N 2 1 395.592 0.707 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000582624756 1186588102 /nfs/dbraw/zinc/58/81/02/1186588102.db2.gz QZVQDUQSIXVLLZ-UHFFFAOYSA-N 2 1 395.592 0.707 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000582658116 1186599434 /nfs/dbraw/zinc/59/94/34/1186599434.db2.gz PPQPYSKCCQGHSI-SFHVURJKSA-N 2 1 394.560 0.794 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667002 1186603859 /nfs/dbraw/zinc/60/38/59/1186603859.db2.gz QJUQVADEPMEKAT-NMLBUPMWSA-N 3 1 387.528 0.137 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667002 1186603866 /nfs/dbraw/zinc/60/38/66/1186603866.db2.gz QJUQVADEPMEKAT-NMLBUPMWSA-N 3 1 387.528 0.137 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667001 1186603965 /nfs/dbraw/zinc/60/39/65/1186603965.db2.gz QJUQVADEPMEKAT-MUGJNUQGSA-N 3 1 387.528 0.137 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667001 1186603967 /nfs/dbraw/zinc/60/39/67/1186603967.db2.gz QJUQVADEPMEKAT-MUGJNUQGSA-N 3 1 387.528 0.137 20 0 GCADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)N2CCN(c3ncccn3)CC2)CC12CCOCC2 ZINC000582730957 1186631370 /nfs/dbraw/zinc/63/13/70/1186631370.db2.gz PHILFFAMAZMSCH-QGZVFWFLSA-N 2 1 388.516 0.203 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1CCOC ZINC000582740174 1186647326 /nfs/dbraw/zinc/64/73/26/1186647326.db2.gz HZUYDZPAAZTTGJ-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000582740174 1186647334 /nfs/dbraw/zinc/64/73/34/1186647334.db2.gz HZUYDZPAAZTTGJ-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000582740174 1186647401 /nfs/dbraw/zinc/64/74/01/1186647401.db2.gz HZUYDZPAAZTTGJ-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740174 1186647420 /nfs/dbraw/zinc/64/74/20/1186647420.db2.gz HZUYDZPAAZTTGJ-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740174 1186647438 /nfs/dbraw/zinc/64/74/38/1186647438.db2.gz HZUYDZPAAZTTGJ-AEFFLSMTSA-N 2 1 380.533 0.546 20 0 GCADMP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000582787009 1186674956 /nfs/dbraw/zinc/67/49/56/1186674956.db2.gz XTLPUMBGPBCBQK-OAHLLOKOSA-N 2 1 376.457 0.589 20 0 GCADMP CCOC(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000582787009 1186674958 /nfs/dbraw/zinc/67/49/58/1186674958.db2.gz XTLPUMBGPBCBQK-OAHLLOKOSA-N 2 1 376.457 0.589 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCC[NH+]2CCC(OC)CC2)CC1=O ZINC000079670340 1186680191 /nfs/dbraw/zinc/68/01/91/1186680191.db2.gz HISJFFVSHCUVGI-SJORKVTESA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)COC4CC[NH+](C)CC4)C[C@H]32)CC[N@H+]1C ZINC000972414512 1186711483 /nfs/dbraw/zinc/71/14/83/1186711483.db2.gz ABANEJDTDBGTNT-PSBWJHGTSA-N 2 1 392.544 0.497 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069827331 1186714966 /nfs/dbraw/zinc/71/49/66/1186714966.db2.gz HUQVLRGRGNHPAD-IBGZPJMESA-N 2 1 377.533 0.853 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)C[C@H]32)CC[N@@H+]1C ZINC000972423594 1186718124 /nfs/dbraw/zinc/71/81/24/1186718124.db2.gz SLFPKXLADLSGNX-GZOSKZMVSA-N 2 1 389.500 0.749 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)c4cc(C[NH+](C)C)on4)C[C@H]32)CC[N@H+]1C ZINC000972423594 1186718127 /nfs/dbraw/zinc/71/81/27/1186718127.db2.gz SLFPKXLADLSGNX-GZOSKZMVSA-N 2 1 389.500 0.749 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582895917 1186724494 /nfs/dbraw/zinc/72/44/94/1186724494.db2.gz WCXIHMKGLBQQFK-QZTJIDSGSA-N 2 1 387.528 0.409 20 0 GCADMP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000583175243 1186787960 /nfs/dbraw/zinc/78/79/60/1186787960.db2.gz MLGRWTSVSRKTSW-UHFFFAOYSA-N 2 1 381.565 0.415 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252542 1186809107 /nfs/dbraw/zinc/80/91/07/1186809107.db2.gz PPLFZJLUKNQMBN-DLBZAZTESA-N 2 1 379.509 0.440 20 0 GCADMP C[C@@H](CNC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1)C[NH+]1CCCC1 ZINC000080050538 1186820006 /nfs/dbraw/zinc/82/00/06/1186820006.db2.gz HWRDNCCJDCVNDR-KRWDZBQOSA-N 2 1 379.549 0.914 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583324728 1186825806 /nfs/dbraw/zinc/82/58/06/1186825806.db2.gz IRVMAHPUENWSRT-IEZWGBDMSA-N 2 1 376.501 0.492 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583324728 1186825808 /nfs/dbraw/zinc/82/58/08/1186825808.db2.gz IRVMAHPUENWSRT-IEZWGBDMSA-N 2 1 376.501 0.492 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583320449 1186826088 /nfs/dbraw/zinc/82/60/88/1186826088.db2.gz UWZPLGRIVNATDL-WDSOQIARSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583320449 1186826093 /nfs/dbraw/zinc/82/60/93/1186826093.db2.gz UWZPLGRIVNATDL-WDSOQIARSA-N 2 1 388.512 0.650 20 0 GCADMP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1 ZINC000583331041 1186830495 /nfs/dbraw/zinc/83/04/95/1186830495.db2.gz QTUXFLBIBSZWQK-UHFFFAOYSA-N 2 1 398.511 0.762 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000156020439 1186839298 /nfs/dbraw/zinc/83/92/98/1186839298.db2.gz WJKSGXVUHYSBJY-DOTOQJQBSA-N 2 1 388.516 0.859 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000583458299 1186861570 /nfs/dbraw/zinc/86/15/70/1186861570.db2.gz ZCOYNWGMTXZSJO-UHFFFAOYSA-N 2 1 386.456 0.540 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000583514799 1186876172 /nfs/dbraw/zinc/87/61/72/1186876172.db2.gz RNDXKKRMJVFPMI-QGZVFWFLSA-N 2 1 381.565 0.319 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583554944 1186884141 /nfs/dbraw/zinc/88/41/41/1186884141.db2.gz APUFFVGFCCFBPW-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583554944 1186884144 /nfs/dbraw/zinc/88/41/44/1186884144.db2.gz APUFFVGFCCFBPW-WDSOQIARSA-N 2 1 388.512 0.603 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000583621690 1186902174 /nfs/dbraw/zinc/90/21/74/1186902174.db2.gz VWDUMCHJLRBYJR-SJORKVTESA-N 2 1 395.935 0.421 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000163321693 1186908748 /nfs/dbraw/zinc/90/87/48/1186908748.db2.gz GXPBXXQISINQTM-YLJYHZDGSA-N 2 1 390.528 0.673 20 0 GCADMP C[C@H](CNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000163321693 1186908750 /nfs/dbraw/zinc/90/87/50/1186908750.db2.gz GXPBXXQISINQTM-YLJYHZDGSA-N 2 1 390.528 0.673 20 0 GCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000246231899 1186914638 /nfs/dbraw/zinc/91/46/38/1186914638.db2.gz UCUFGJCIKLUSQS-FUHIMQAGSA-N 2 1 394.560 0.935 20 0 GCADMP O=c1[nH]c2ccc(S(=O)(=O)N3CC[NH+](CC[C@H]4CCC[NH2+]C4)CC3)cc2[nH]1 ZINC000583862254 1186953641 /nfs/dbraw/zinc/95/36/41/1186953641.db2.gz MPIWJHCHGYAVRW-CQSZACIVSA-N 2 1 393.513 0.965 20 0 GCADMP O=C(CC1([NH+]2CCOCC2)CCCC1)NCCCCN1CC[NH+](CCO)CC1 ZINC000536175939 1186971183 /nfs/dbraw/zinc/97/11/83/1186971183.db2.gz ADGXWGZXDNLJOG-UHFFFAOYSA-N 2 1 396.576 0.528 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000583984815 1186973025 /nfs/dbraw/zinc/97/30/25/1186973025.db2.gz WPFBAKVRBVLLNG-CABCVRRESA-N 2 1 379.530 0.021 20 0 GCADMP COc1ccccc1N1CC[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1=O ZINC000151598008 1186997597 /nfs/dbraw/zinc/99/75/97/1186997597.db2.gz AONIGTRKFYUZIC-GOSISDBHSA-N 2 1 390.528 0.780 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000584245841 1187020979 /nfs/dbraw/zinc/02/09/79/1187020979.db2.gz SXZCMBFHSMKZGK-GOSISDBHSA-N 2 1 380.533 0.689 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000584245841 1187020983 /nfs/dbraw/zinc/02/09/83/1187020983.db2.gz SXZCMBFHSMKZGK-GOSISDBHSA-N 2 1 380.533 0.689 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000584308362 1187029594 /nfs/dbraw/zinc/02/95/94/1187029594.db2.gz CITZKTLKOOHCJL-KRWDZBQOSA-N 2 1 398.548 0.221 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@@H+]1C ZINC000584306254 1187029663 /nfs/dbraw/zinc/02/96/63/1187029663.db2.gz YZRIDRJIUKVBSX-VQIMIIECSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC[N@H+]1C ZINC000584306254 1187029668 /nfs/dbraw/zinc/02/96/68/1187029668.db2.gz YZRIDRJIUKVBSX-VQIMIIECSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000584339832 1187032868 /nfs/dbraw/zinc/03/28/68/1187032868.db2.gz YNCKOZPCFPVOBS-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000584339832 1187032873 /nfs/dbraw/zinc/03/28/73/1187032873.db2.gz YNCKOZPCFPVOBS-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611823045 1187035865 /nfs/dbraw/zinc/03/58/65/1187035865.db2.gz MRAJXJNOMNTLOS-MSOLQXFVSA-N 2 1 378.517 0.489 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)c2cn(CCCC[NH3+])nn2)c2cccs2)CC1 ZINC000584347908 1187036005 /nfs/dbraw/zinc/03/60/05/1187036005.db2.gz NUULPXXBAWCBCT-MRXNPFEDSA-N 2 1 391.545 0.797 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000611840124 1187047462 /nfs/dbraw/zinc/04/74/62/1187047462.db2.gz ZTARILXRHDSGAT-DLBZAZTESA-N 2 1 380.533 0.593 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329790280 1187049201 /nfs/dbraw/zinc/04/92/01/1187049201.db2.gz SYQLTUONTDFHGH-OALUTQOASA-N 2 1 392.544 0.644 20 0 GCADMP CSC1(CNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CC[NH+](C)CC1 ZINC000584400116 1187049952 /nfs/dbraw/zinc/04/99/52/1187049952.db2.gz CCPWVLAVHLLIDX-HNNXBMFYSA-N 2 1 383.562 0.420 20 0 GCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000584409271 1187053181 /nfs/dbraw/zinc/05/31/81/1187053181.db2.gz CFEOOTJMJFZNBM-HUUCEWRRSA-N 2 1 389.500 0.645 20 0 GCADMP CO[C@H](C[NH3+])C(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000584408555 1187054174 /nfs/dbraw/zinc/05/41/74/1187054174.db2.gz DEEROUYBYOQFEI-GOSISDBHSA-N 2 1 376.501 0.447 20 0 GCADMP CN1CCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)[C@H](C[NH3+])C1 ZINC000584459099 1187080474 /nfs/dbraw/zinc/08/04/74/1187080474.db2.gz ZIQVRTABAYHHNR-CVEARBPZSA-N 2 1 380.562 0.321 20 0 GCADMP CN1CCN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)[C@@H](C[NH3+])C1 ZINC000584459100 1187080586 /nfs/dbraw/zinc/08/05/86/1187080586.db2.gz ZIQVRTABAYHHNR-HOTGVXAUSA-N 2 1 380.562 0.321 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000685336885 1187101760 /nfs/dbraw/zinc/10/17/60/1187101760.db2.gz SLXROWCVKSWOAO-CEXWTWQISA-N 2 1 394.560 0.792 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000685336885 1187101763 /nfs/dbraw/zinc/10/17/63/1187101763.db2.gz SLXROWCVKSWOAO-CEXWTWQISA-N 2 1 394.560 0.792 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)o1 ZINC000685340168 1187104059 /nfs/dbraw/zinc/10/40/59/1187104059.db2.gz PKAQSBXKTPMGFD-RDJZCZTQSA-N 2 1 380.489 0.314 20 0 GCADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)o1 ZINC000685340168 1187104066 /nfs/dbraw/zinc/10/40/66/1187104066.db2.gz PKAQSBXKTPMGFD-RDJZCZTQSA-N 2 1 380.489 0.314 20 0 GCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623773 1187107451 /nfs/dbraw/zinc/10/74/51/1187107451.db2.gz SSBYGMVRGOGSDO-QXCFHYIPSA-N 2 1 388.512 0.426 20 0 GCADMP CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1ccccc1 ZINC001211623773 1187107453 /nfs/dbraw/zinc/10/74/53/1187107453.db2.gz SSBYGMVRGOGSDO-QXCFHYIPSA-N 2 1 388.512 0.426 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1C[N@H+](C)CCO1 ZINC000685344482 1187110705 /nfs/dbraw/zinc/11/07/05/1187110705.db2.gz XLNMNEYCEYXDGS-CRAIPNDOSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@H]1C[N@@H+](C)CCO1 ZINC000685344482 1187110707 /nfs/dbraw/zinc/11/07/07/1187110707.db2.gz XLNMNEYCEYXDGS-CRAIPNDOSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000685501643 1187137770 /nfs/dbraw/zinc/13/77/70/1187137770.db2.gz VRXRTLJCZPPSCT-DOTOQJQBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC[N@H+]1CC(C)(C)O ZINC000685501643 1187137774 /nfs/dbraw/zinc/13/77/74/1187137774.db2.gz VRXRTLJCZPPSCT-DOTOQJQBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501643 1187137779 /nfs/dbraw/zinc/13/77/79/1187137779.db2.gz VRXRTLJCZPPSCT-DOTOQJQBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501643 1187137784 /nfs/dbraw/zinc/13/77/84/1187137784.db2.gz VRXRTLJCZPPSCT-DOTOQJQBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000685501645 1187138035 /nfs/dbraw/zinc/13/80/35/1187138035.db2.gz VRXRTLJCZPPSCT-RDJZCZTQSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@H+]1CC(C)(C)O ZINC000685501645 1187138037 /nfs/dbraw/zinc/13/80/37/1187138037.db2.gz VRXRTLJCZPPSCT-RDJZCZTQSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501645 1187138040 /nfs/dbraw/zinc/13/80/40/1187138040.db2.gz VRXRTLJCZPPSCT-RDJZCZTQSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+]1CC(C)(C)O ZINC000685501645 1187138043 /nfs/dbraw/zinc/13/80/43/1187138043.db2.gz VRXRTLJCZPPSCT-RDJZCZTQSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC([N@@H+](C)CCCO)CC1 ZINC000172305839 1187155272 /nfs/dbraw/zinc/15/52/72/1187155272.db2.gz DWYJSULXAGUHRV-GOSISDBHSA-N 2 1 389.544 0.897 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)CC1 ZINC000079548694 1187157408 /nfs/dbraw/zinc/15/74/08/1187157408.db2.gz HPJMZJRHBDKSGR-QZTJIDSGSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000079548694 1187157413 /nfs/dbraw/zinc/15/74/13/1187157413.db2.gz HPJMZJRHBDKSGR-QZTJIDSGSA-N 2 1 377.533 0.809 20 0 GCADMP Cc1c(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)ccc2c[nH+]cn21 ZINC001023970076 1187205852 /nfs/dbraw/zinc/20/58/52/1187205852.db2.gz FRMYPFXVLJETGF-DGCUDZEOSA-N 2 1 385.468 0.284 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3ccn4c[nH+]cc4c3)C[C@H]2O)CC[N@H+]1C ZINC001023977299 1187208277 /nfs/dbraw/zinc/20/82/77/1187208277.db2.gz CXLLTIQFHDXBQE-BSDSXHPESA-N 2 1 385.468 0.366 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNS(=O)(=O)c1cccnc1 ZINC000685683317 1187219975 /nfs/dbraw/zinc/21/99/75/1187219975.db2.gz IJZGPGAAKPJICN-INIZCTEOSA-N 2 1 397.545 0.234 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000612046032 1187245304 /nfs/dbraw/zinc/24/53/04/1187245304.db2.gz XWSGDMCAKPYCHY-KZNAEPCWSA-N 2 1 378.517 0.489 20 0 GCADMP COC1CCN(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000658382109 1187279550 /nfs/dbraw/zinc/27/95/50/1187279550.db2.gz FUWYPFBGCOSNGH-UHFFFAOYSA-N 2 1 396.557 0.925 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC[N@H+]1C ZINC001024384130 1187372135 /nfs/dbraw/zinc/37/21/35/1187372135.db2.gz NXIPELKMJWRKGL-BSDSXHPESA-N 2 1 392.544 0.281 20 0 GCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000658606709 1187380097 /nfs/dbraw/zinc/38/00/97/1187380097.db2.gz ZXWZKZOKFDBVNV-UHFFFAOYSA-N 2 1 384.565 0.728 20 0 GCADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000658606709 1187380101 /nfs/dbraw/zinc/38/01/01/1187380101.db2.gz ZXWZKZOKFDBVNV-UHFFFAOYSA-N 2 1 384.565 0.728 20 0 GCADMP C[C@H]1C[N@H+](CCO)CCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636012946 1187387919 /nfs/dbraw/zinc/38/79/19/1187387919.db2.gz ZACJHKBJEGRDQT-AWEZNQCLSA-N 2 1 375.473 0.442 20 0 GCADMP C[C@H]1C[N@@H+](CCO)CCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636012946 1187387921 /nfs/dbraw/zinc/38/79/21/1187387921.db2.gz ZACJHKBJEGRDQT-AWEZNQCLSA-N 2 1 375.473 0.442 20 0 GCADMP C[NH+]1CCN(C(=O)CC2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)CC1 ZINC000892472038 1187390595 /nfs/dbraw/zinc/39/05/95/1187390595.db2.gz YLUZNGHOADLZDM-UHFFFAOYSA-N 2 1 377.533 0.938 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000612223053 1187411178 /nfs/dbraw/zinc/41/11/78/1187411178.db2.gz GVZPVLDPYNAHSN-UHFFFAOYSA-N 2 1 387.528 0.964 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@@H]2C1 ZINC000612223821 1187412031 /nfs/dbraw/zinc/41/20/31/1187412031.db2.gz LORFNMLXTNSOLB-VQTJNVASSA-N 2 1 399.539 0.962 20 0 GCADMP Cc1ccnc(N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000658714677 1187422734 /nfs/dbraw/zinc/42/27/34/1187422734.db2.gz GGRWIXDJSKBQMO-NRFANRHFSA-N 2 1 385.512 0.983 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000658714677 1187422736 /nfs/dbraw/zinc/42/27/36/1187422736.db2.gz GGRWIXDJSKBQMO-NRFANRHFSA-N 2 1 385.512 0.983 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000658714677 1187422738 /nfs/dbraw/zinc/42/27/38/1187422738.db2.gz GGRWIXDJSKBQMO-NRFANRHFSA-N 2 1 385.512 0.983 20 0 GCADMP CC1(C)C[NH2+]CC[C@H](NC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000892477467 1187428067 /nfs/dbraw/zinc/42/80/67/1187428067.db2.gz CGXJAZBZDXZOFK-ROUUACIJSA-N 2 1 381.565 0.860 20 0 GCADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636036184 1187430462 /nfs/dbraw/zinc/43/04/62/1187430462.db2.gz YLRGYQPWJSOBFD-HUUCEWRRSA-N 2 1 389.500 0.831 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000636036184 1187430463 /nfs/dbraw/zinc/43/04/63/1187430463.db2.gz YLRGYQPWJSOBFD-HUUCEWRRSA-N 2 1 389.500 0.831 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000413636344 1187447667 /nfs/dbraw/zinc/44/76/67/1187447667.db2.gz KAUCTEGUYCCLKT-UHFFFAOYSA-N 2 1 397.564 0.147 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000612444059 1187491543 /nfs/dbraw/zinc/49/15/43/1187491543.db2.gz JUYJWWJUAOCTKI-QGZVFWFLSA-N 2 1 394.560 0.815 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000612444059 1187491547 /nfs/dbraw/zinc/49/15/47/1187491547.db2.gz JUYJWWJUAOCTKI-QGZVFWFLSA-N 2 1 394.560 0.815 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000612444059 1187491550 /nfs/dbraw/zinc/49/15/50/1187491550.db2.gz JUYJWWJUAOCTKI-QGZVFWFLSA-N 2 1 394.560 0.815 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443942 1187491934 /nfs/dbraw/zinc/49/19/34/1187491934.db2.gz HURMLLMASUNUHF-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443942 1187491941 /nfs/dbraw/zinc/49/19/41/1187491941.db2.gz HURMLLMASUNUHF-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612443942 1187491945 /nfs/dbraw/zinc/49/19/45/1187491945.db2.gz HURMLLMASUNUHF-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612443942 1187491949 /nfs/dbraw/zinc/49/19/49/1187491949.db2.gz HURMLLMASUNUHF-DLBZAZTESA-N 2 1 394.560 0.813 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612447320 1187493755 /nfs/dbraw/zinc/49/37/55/1187493755.db2.gz PGZFAHJHQACBMB-MJGOQNOKSA-N 2 1 392.544 0.879 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000612487420 1187506164 /nfs/dbraw/zinc/50/61/64/1187506164.db2.gz VGSOFCXGVNMYGU-KRWDZBQOSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000612549451 1187519754 /nfs/dbraw/zinc/51/97/54/1187519754.db2.gz ZDJWPXSDHFVMFI-OAHLLOKOSA-N 2 1 375.473 0.339 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)CC1=O ZINC000413822559 1187529609 /nfs/dbraw/zinc/52/96/09/1187529609.db2.gz UHTFSQUDFQIMGL-OKZBNKHCSA-N 2 1 380.533 0.282 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC[C@@H]21 ZINC000612595565 1187534788 /nfs/dbraw/zinc/53/47/88/1187534788.db2.gz IVLUNMHEPCZXRS-NJAFHUGGSA-N 2 1 378.517 0.299 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000612601286 1187539393 /nfs/dbraw/zinc/53/93/93/1187539393.db2.gz PDFKPRLKZKOBSH-IBGZPJMESA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000658820683 1187552460 /nfs/dbraw/zinc/55/24/60/1187552460.db2.gz ZONNFWDIESDPJR-FUHWJXTLSA-N 2 1 382.549 0.480 20 0 GCADMP C[C@@H](CO)[C@H]1CCCCN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000658820683 1187552463 /nfs/dbraw/zinc/55/24/63/1187552463.db2.gz ZONNFWDIESDPJR-FUHWJXTLSA-N 2 1 382.549 0.480 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570263656 1187557723 /nfs/dbraw/zinc/55/77/23/1187557723.db2.gz CPQJJCNSMBZVHF-FQEVSTJZSA-N 2 1 387.528 0.708 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000612782943 1187582820 /nfs/dbraw/zinc/58/28/20/1187582820.db2.gz WKCVGGNWDWKSSQ-CALCHBBNSA-N 2 1 394.560 0.840 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)N3CCN(C)CC[N@@H+](C)CC3)CC2)CC1 ZINC000892522389 1187666772 /nfs/dbraw/zinc/66/67/72/1187666772.db2.gz ZLGDTGMGNJWFDF-UHFFFAOYSA-N 2 1 380.581 0.434 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000892535133 1187710771 /nfs/dbraw/zinc/71/07/71/1187710771.db2.gz ATKWGRMVDXHUNR-RTBURBONSA-N 2 1 376.501 0.955 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000892535133 1187710773 /nfs/dbraw/zinc/71/07/73/1187710773.db2.gz ATKWGRMVDXHUNR-RTBURBONSA-N 2 1 376.501 0.955 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000892537054 1187712019 /nfs/dbraw/zinc/71/20/19/1187712019.db2.gz WQRYBQVHIRWVJN-RTBURBONSA-N 2 1 375.517 0.480 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000892537054 1187712023 /nfs/dbraw/zinc/71/20/23/1187712023.db2.gz WQRYBQVHIRWVJN-RTBURBONSA-N 2 1 375.517 0.480 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000892537050 1187712252 /nfs/dbraw/zinc/71/22/52/1187712252.db2.gz WQRYBQVHIRWVJN-MOPGFXCFSA-N 2 1 375.517 0.480 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000892537050 1187712254 /nfs/dbraw/zinc/71/22/54/1187712254.db2.gz WQRYBQVHIRWVJN-MOPGFXCFSA-N 2 1 375.517 0.480 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC(=O)N(C)C ZINC000376330751 1187767558 /nfs/dbraw/zinc/76/75/58/1187767558.db2.gz IUHVATGNOZQHDH-ALOPSCKCSA-N 2 1 383.537 0.338 20 0 GCADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1=CC[N@H+](C)CC1 ZINC000332833629 1187787264 /nfs/dbraw/zinc/78/72/64/1187787264.db2.gz HNVLHBLRBXCSFT-SJLPKXTDSA-N 2 1 378.517 0.466 20 0 GCADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1=CC[N@@H+](C)CC1 ZINC000332833629 1187787269 /nfs/dbraw/zinc/78/72/69/1187787269.db2.gz HNVLHBLRBXCSFT-SJLPKXTDSA-N 2 1 378.517 0.466 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000376385913 1187804419 /nfs/dbraw/zinc/80/44/19/1187804419.db2.gz SYBZXUAPMYGMDV-BKQWOMNUSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385913 1187804428 /nfs/dbraw/zinc/80/44/28/1187804428.db2.gz SYBZXUAPMYGMDV-BKQWOMNUSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385913 1187804436 /nfs/dbraw/zinc/80/44/36/1187804436.db2.gz SYBZXUAPMYGMDV-BKQWOMNUSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CC(=O)N(C)C)C[N@H+]1C1CC1 ZINC000376385916 1187804755 /nfs/dbraw/zinc/80/47/55/1187804755.db2.gz SYBZXUAPMYGMDV-KTIZJFLCSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385916 1187804758 /nfs/dbraw/zinc/80/47/58/1187804758.db2.gz SYBZXUAPMYGMDV-KTIZJFLCSA-N 2 1 377.533 0.994 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)C[NH+]1C1CC1 ZINC000376385916 1187804763 /nfs/dbraw/zinc/80/47/63/1187804763.db2.gz SYBZXUAPMYGMDV-KTIZJFLCSA-N 2 1 377.533 0.994 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000658990759 1187833176 /nfs/dbraw/zinc/83/31/76/1187833176.db2.gz HDRVWLUTHBEQSI-AWEZNQCLSA-N 2 1 383.518 0.742 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000658990759 1187833178 /nfs/dbraw/zinc/83/31/78/1187833178.db2.gz HDRVWLUTHBEQSI-AWEZNQCLSA-N 2 1 383.518 0.742 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@H]4C3)CC2)C[C@@H](C)O1 ZINC000658993222 1187833948 /nfs/dbraw/zinc/83/39/48/1187833948.db2.gz IXRAWMYAAIFPMH-LMMKCTJWSA-N 2 1 392.544 0.641 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659112751 1187889278 /nfs/dbraw/zinc/88/92/78/1187889278.db2.gz KYJRQMSMDFVNRE-NVXWUHKLSA-N 2 1 384.484 0.993 20 0 GCADMP CCCN(C(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[C@H]1CC[N@@H+](C)C1 ZINC000647569037 1187895652 /nfs/dbraw/zinc/89/56/52/1187895652.db2.gz ZCTHXPSCCIJPDE-IBGZPJMESA-N 2 1 393.576 0.415 20 0 GCADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000115547925 1187920963 /nfs/dbraw/zinc/92/09/63/1187920963.db2.gz AMIKJQCTYCSXOO-UHFFFAOYSA-N 2 1 390.532 0.294 20 0 GCADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000115547925 1187920966 /nfs/dbraw/zinc/92/09/66/1187920966.db2.gz AMIKJQCTYCSXOO-UHFFFAOYSA-N 2 1 390.532 0.294 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000031159291 1187925206 /nfs/dbraw/zinc/92/52/06/1187925206.db2.gz RAPIFDJCRYKWND-UHFFFAOYSA-N 2 1 388.516 0.904 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000659318575 1187943218 /nfs/dbraw/zinc/94/32/18/1187943218.db2.gz NHBOTNBYHMANEF-PKOBYXMFSA-N 3 1 393.576 0.414 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000659318573 1187943448 /nfs/dbraw/zinc/94/34/48/1187943448.db2.gz NHBOTNBYHMANEF-MJGOQNOKSA-N 3 1 393.576 0.414 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345152 1187945361 /nfs/dbraw/zinc/94/53/61/1187945361.db2.gz DAMVUSZAYXRWFN-RTBURBONSA-N 2 1 391.560 0.312 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)CC2)C1 ZINC000659345144 1187945530 /nfs/dbraw/zinc/94/55/30/1187945530.db2.gz DAMVUSZAYXRWFN-OALUTQOASA-N 2 1 391.560 0.312 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000659451139 1187960495 /nfs/dbraw/zinc/96/04/95/1187960495.db2.gz BXHGUPUBHATOMT-KRWDZBQOSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659460091 1187961678 /nfs/dbraw/zinc/96/16/78/1187961678.db2.gz QIZCDTXQGMUHBN-OAHLLOKOSA-N 2 1 399.499 0.651 20 0 GCADMP COCC[NH+]1CCC(NC(=O)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000580221845 1187971810 /nfs/dbraw/zinc/97/18/10/1187971810.db2.gz RKCDAPSTNKQKCS-CALCHBBNSA-N 2 1 382.549 0.698 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000659619366 1187976019 /nfs/dbraw/zinc/97/60/19/1187976019.db2.gz WTSANJOPMWLHPM-UHFFFAOYSA-N 2 1 377.533 0.714 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000659630296 1187978610 /nfs/dbraw/zinc/97/86/10/1187978610.db2.gz OEZQSNBFRAFKCZ-IYBDPMFKSA-N 2 1 382.468 0.914 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC2)oc1C ZINC000659675357 1187994410 /nfs/dbraw/zinc/99/44/10/1187994410.db2.gz NUAIVTYXTYYVCB-UHFFFAOYSA-N 2 1 379.505 0.815 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676845 1187995040 /nfs/dbraw/zinc/99/50/40/1187995040.db2.gz JQSGNDNLWYHXSG-PKOBYXMFSA-N 2 1 394.560 0.842 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676843 1187995263 /nfs/dbraw/zinc/99/52/63/1187995263.db2.gz JQSGNDNLWYHXSG-MJGOQNOKSA-N 2 1 394.560 0.842 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000659686995 1187997775 /nfs/dbraw/zinc/99/77/75/1187997775.db2.gz BKLCGZIUWPXRPQ-SFHVURJKSA-N 2 1 388.512 0.781 20 0 GCADMP C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)C2)C1 ZINC000659688192 1187998270 /nfs/dbraw/zinc/99/82/70/1187998270.db2.gz UKEGERZEPGSSPK-FQEVSTJZSA-N 2 1 378.517 0.111 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000659697974 1187999516 /nfs/dbraw/zinc/99/95/16/1187999516.db2.gz MINLTHGFOGVDJW-KRWDZBQOSA-N 2 1 375.517 0.035 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659697206 1188001415 /nfs/dbraw/zinc/00/14/15/1188001415.db2.gz QYMJVWDMZRHWOL-RYQLBKOJSA-N 2 1 376.501 0.506 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659697206 1188001420 /nfs/dbraw/zinc/00/14/20/1188001420.db2.gz QYMJVWDMZRHWOL-RYQLBKOJSA-N 2 1 376.501 0.506 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659732763 1188019615 /nfs/dbraw/zinc/01/96/15/1188019615.db2.gz SMFYNQYDMGXTDU-UHFFFAOYSA-N 2 1 379.549 0.391 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659734045 1188019735 /nfs/dbraw/zinc/01/97/35/1188019735.db2.gz JSYMGBJVBSNEGR-UHFFFAOYSA-N 2 1 382.549 0.971 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)c2cccs2)CC1 ZINC000659733177 1188019778 /nfs/dbraw/zinc/01/97/78/1188019778.db2.gz WLQCXRMJWQONNX-HNNXBMFYSA-N 2 1 393.557 0.541 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000659756339 1188021045 /nfs/dbraw/zinc/02/10/45/1188021045.db2.gz QVCDRZNVLLODJM-CGTJXYLNSA-N 2 1 381.565 0.506 20 0 GCADMP O=C(CNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)NCC[NH+]1CCCCC1 ZINC000909322706 1188055128 /nfs/dbraw/zinc/05/51/28/1188055128.db2.gz JUEPYCUUBJLKDQ-OAQYLSRUSA-N 2 1 388.512 0.342 20 0 GCADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000415581101 1188112915 /nfs/dbraw/zinc/11/29/15/1188112915.db2.gz SCLDESCLPMOTRB-UHFFFAOYSA-N 2 1 395.529 0.242 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415585111 1188114677 /nfs/dbraw/zinc/11/46/77/1188114677.db2.gz AUAXGSHDSPZLPL-NRFANRHFSA-N 2 1 386.496 0.712 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000377734767 1188125443 /nfs/dbraw/zinc/12/54/43/1188125443.db2.gz OZZOUPWPTPKDPF-GOSISDBHSA-N 2 1 381.565 0.909 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)c2C1 ZINC000415713235 1188147302 /nfs/dbraw/zinc/14/73/02/1188147302.db2.gz RPUXPRHVTAIHHB-QGZVFWFLSA-N 2 1 385.512 0.857 20 0 GCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)c2C1 ZINC000415713235 1188147304 /nfs/dbraw/zinc/14/73/04/1188147304.db2.gz RPUXPRHVTAIHHB-QGZVFWFLSA-N 2 1 385.512 0.857 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415740305 1188155178 /nfs/dbraw/zinc/15/51/78/1188155178.db2.gz GVGCWOYFQBYZKM-ROUUACIJSA-N 2 1 386.496 0.568 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@]3(O)CC[NH+](C)C3)C2)cc(OC)c1 ZINC000460263897 1189459139 /nfs/dbraw/zinc/45/91/39/1189459139.db2.gz IRPZPRNFUDQFKL-UZLBHIALSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@]3(O)CC[NH+](C)C3)C2)cc(OC)c1 ZINC000460263897 1189459141 /nfs/dbraw/zinc/45/91/41/1189459141.db2.gz IRPZPRNFUDQFKL-UZLBHIALSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[NH+]2CC[C@@H](NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)C2)cc(OC)c1 ZINC000460263897 1189459143 /nfs/dbraw/zinc/45/91/43/1189459143.db2.gz IRPZPRNFUDQFKL-UZLBHIALSA-N 2 1 392.500 0.644 20 0 GCADMP COc1cc(C[NH+]2CC[C@@H](NC(=O)NC[C@@]3(O)CC[N@@H+](C)C3)C2)cc(OC)c1 ZINC000460263897 1189459146 /nfs/dbraw/zinc/45/91/46/1189459146.db2.gz IRPZPRNFUDQFKL-UZLBHIALSA-N 2 1 392.500 0.644 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320662 1189475351 /nfs/dbraw/zinc/47/53/51/1189475351.db2.gz VOEDIVLGSHRSPN-PKOBYXMFSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)C1 ZINC000378320662 1189475359 /nfs/dbraw/zinc/47/53/59/1189475359.db2.gz VOEDIVLGSHRSPN-PKOBYXMFSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)C1 ZINC000378320662 1189475362 /nfs/dbraw/zinc/47/53/62/1189475362.db2.gz VOEDIVLGSHRSPN-PKOBYXMFSA-N 2 1 385.512 0.712 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893238604 1189508761 /nfs/dbraw/zinc/50/87/61/1189508761.db2.gz OADWDJSHXCYOQL-CEXWTWQISA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238604 1189508764 /nfs/dbraw/zinc/50/87/64/1189508764.db2.gz OADWDJSHXCYOQL-CEXWTWQISA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000893238604 1189508766 /nfs/dbraw/zinc/50/87/66/1189508766.db2.gz OADWDJSHXCYOQL-CEXWTWQISA-N 2 1 381.565 0.501 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526454 1189527852 /nfs/dbraw/zinc/52/78/52/1189527852.db2.gz NTQJNIGINCEYLT-GUDVDZBRSA-N 2 1 379.549 0.519 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000511571527 1189558906 /nfs/dbraw/zinc/55/89/06/1189558906.db2.gz HCQAYJJWTXTCDH-MJGOQNOKSA-N 2 1 390.528 0.660 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000416878602 1189590643 /nfs/dbraw/zinc/59/06/43/1189590643.db2.gz XSIFAKACAPZSPZ-GJZGRUSLSA-N 2 1 395.470 0.479 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C1 ZINC000416881064 1189591635 /nfs/dbraw/zinc/59/16/35/1189591635.db2.gz ZVEAJXXWJONHQE-IAGOWNOFSA-N 2 1 383.537 0.372 20 0 GCADMP C[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C[C@@H]1C[NH3+] ZINC000416941012 1189596139 /nfs/dbraw/zinc/59/61/39/1189596139.db2.gz BIYOVVUIPRLTPO-IRXDYDNUSA-N 2 1 375.521 0.615 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416942476 1189597006 /nfs/dbraw/zinc/59/70/06/1189597006.db2.gz BBGDOQSIDPEOIO-ZWKOTPCHSA-N 2 1 397.564 0.620 20 0 GCADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416933691 1189598415 /nfs/dbraw/zinc/59/84/15/1189598415.db2.gz BLBZELQUFFETBS-AOIWGVFYSA-N 2 1 395.548 0.289 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416944542 1189599080 /nfs/dbraw/zinc/59/90/80/1189599080.db2.gz GGOVJAJYFMDVKO-DLBZAZTESA-N 2 1 375.521 0.900 20 0 GCADMP CC(C)C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[NH+]1CCOCC1 ZINC000416944994 1189599377 /nfs/dbraw/zinc/59/93/77/1189599377.db2.gz VTNXEYYKHDEFBZ-IAGOWNOFSA-N 2 1 383.537 0.230 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000416961011 1189600969 /nfs/dbraw/zinc/60/09/69/1189600969.db2.gz PCZUCBORMNNSLR-RCCFBDPRSA-N 2 1 387.532 0.676 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000416956619 1189601865 /nfs/dbraw/zinc/60/18/65/1189601865.db2.gz NFTHUUABGSZMLR-RTBURBONSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000416958655 1189601962 /nfs/dbraw/zinc/60/19/62/1189601962.db2.gz UGHFKIRRGKRPDY-DLBZAZTESA-N 2 1 375.521 0.676 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364000395 1189607813 /nfs/dbraw/zinc/60/78/13/1189607813.db2.gz FWNGZGZTDKIYJD-ROUUACIJSA-N 2 1 381.565 0.813 20 0 GCADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364000395 1189607816 /nfs/dbraw/zinc/60/78/16/1189607816.db2.gz FWNGZGZTDKIYJD-ROUUACIJSA-N 2 1 381.565 0.813 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCN2C)[C@H](c2ccccc2)C1 ZINC000417022145 1189608787 /nfs/dbraw/zinc/60/87/87/1189608787.db2.gz NXFPCMVIBZQFTN-PMACEKPBSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000417022145 1189608793 /nfs/dbraw/zinc/60/87/93/1189608793.db2.gz NXFPCMVIBZQFTN-PMACEKPBSA-N 2 1 388.560 0.568 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000417022145 1189608797 /nfs/dbraw/zinc/60/87/97/1189608797.db2.gz NXFPCMVIBZQFTN-PMACEKPBSA-N 2 1 388.560 0.568 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CCCO1 ZINC000417040607 1189610615 /nfs/dbraw/zinc/61/06/15/1189610615.db2.gz LPWAKHBWEGBHKW-GOSISDBHSA-N 2 1 379.480 0.707 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)C[C@@H](C)O1 ZINC000417113113 1189617959 /nfs/dbraw/zinc/61/79/59/1189617959.db2.gz MCRVEKPNQPKKAJ-VVWQDTPRSA-N 2 1 376.501 0.675 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660160533 1189625185 /nfs/dbraw/zinc/62/51/85/1189625185.db2.gz MNRWVHWWXDNMPW-FGTMMUONSA-N 2 1 379.549 0.166 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660160533 1189625190 /nfs/dbraw/zinc/62/51/90/1189625190.db2.gz MNRWVHWWXDNMPW-FGTMMUONSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C ZINC000660160533 1189625194 /nfs/dbraw/zinc/62/51/94/1189625194.db2.gz MNRWVHWWXDNMPW-FGTMMUONSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C ZINC000660160533 1189625198 /nfs/dbraw/zinc/62/51/98/1189625198.db2.gz MNRWVHWWXDNMPW-FGTMMUONSA-N 2 1 379.549 0.166 20 0 GCADMP [NH3+]C[C@@H](NC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CC1 ZINC000417160676 1189626277 /nfs/dbraw/zinc/62/62/77/1189626277.db2.gz IENRGAQLXQFRNY-GOSISDBHSA-N 2 1 389.500 0.884 20 0 GCADMP C[C@@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417307899 1189644120 /nfs/dbraw/zinc/64/41/20/1189644120.db2.gz CEOQJZONKFQDPM-QFBILLFUSA-N 2 1 387.528 0.930 20 0 GCADMP O=C(C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000570954153 1189660250 /nfs/dbraw/zinc/66/02/50/1189660250.db2.gz MQNVBBMRDPYWBH-CEXWTWQISA-N 2 1 392.544 0.548 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417488264 1189671770 /nfs/dbraw/zinc/67/17/70/1189671770.db2.gz CHLAWDUGOCOOHN-RBUKOAKNSA-N 2 1 377.533 0.899 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)[C@@H](C)C1 ZINC000417669470 1189694799 /nfs/dbraw/zinc/69/47/99/1189694799.db2.gz LIGMWOGFAWYGBJ-KSZLIROESA-N 2 1 397.564 0.620 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000417757714 1189702673 /nfs/dbraw/zinc/70/26/73/1189702673.db2.gz ULCRBJVAYWVEPG-SJORKVTESA-N 2 1 383.537 0.245 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000660353432 1189732517 /nfs/dbraw/zinc/73/25/17/1189732517.db2.gz DQANHXSWESAINW-DLBZAZTESA-N 2 1 380.533 0.687 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1(C)C ZINC000418179253 1189734795 /nfs/dbraw/zinc/73/47/95/1189734795.db2.gz XKHSIODIMOVKQH-CQSZACIVSA-N 2 1 394.486 0.148 20 0 GCADMP Cc1cc(CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(N2CCCC2)[nH+]1 ZINC000418195423 1189736334 /nfs/dbraw/zinc/73/63/34/1189736334.db2.gz FXRLXUSPTKGIAY-QGZVFWFLSA-N 2 1 388.516 0.987 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)CCCO1 ZINC000364329046 1189747366 /nfs/dbraw/zinc/74/73/66/1189747366.db2.gz FDAZVPJZSRMZHC-OALUTQOASA-N 2 1 381.565 0.909 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCO1 ZINC000364329046 1189747371 /nfs/dbraw/zinc/74/73/71/1189747371.db2.gz FDAZVPJZSRMZHC-OALUTQOASA-N 2 1 381.565 0.909 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)CCCO1 ZINC000364329046 1189747374 /nfs/dbraw/zinc/74/73/74/1189747374.db2.gz FDAZVPJZSRMZHC-OALUTQOASA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418285151 1189747992 /nfs/dbraw/zinc/74/79/92/1189747992.db2.gz DYAXIAFOIKUPEX-KDURUIRLSA-N 2 1 380.581 0.482 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418299444 1189754184 /nfs/dbraw/zinc/75/41/84/1189754184.db2.gz NVHYNEVUYPGIRV-NRFANRHFSA-N 2 1 389.544 0.560 20 0 GCADMP C[NH2+]CCNC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418321468 1189758766 /nfs/dbraw/zinc/75/87/66/1189758766.db2.gz ZDPYMQXEERJOBV-UHFFFAOYSA-N 2 1 375.517 0.876 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652693624 1189775576 /nfs/dbraw/zinc/77/55/76/1189775576.db2.gz YTUWTNGVGCPFFP-XSLAGTTESA-N 2 1 394.560 0.968 20 0 GCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC[N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000636568561 1189861487 /nfs/dbraw/zinc/86/14/87/1189861487.db2.gz LPFAWERRIGPCJG-HXUWFJFHSA-N 2 1 389.544 0.873 20 0 GCADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535819 1189894254 /nfs/dbraw/zinc/89/42/54/1189894254.db2.gz KKBYNHVDLUCEJB-WMZOPIPTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535819 1189894261 /nfs/dbraw/zinc/89/42/61/1189894261.db2.gz KKBYNHVDLUCEJB-WMZOPIPTSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542655 1189896680 /nfs/dbraw/zinc/89/66/80/1189896680.db2.gz AQRVBYZBDJAJME-RTBURBONSA-N 2 1 392.544 0.500 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660627495 1189917705 /nfs/dbraw/zinc/91/77/05/1189917705.db2.gz ZGGMRLJABUTGHJ-LJQANCHMSA-N 2 1 393.576 0.559 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000661237374 1190019880 /nfs/dbraw/zinc/01/98/80/1190019880.db2.gz MLQPTQLNMPSDOQ-MOPGFXCFSA-N 2 1 392.544 0.642 20 0 GCADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000661237509 1190020434 /nfs/dbraw/zinc/02/04/34/1190020434.db2.gz NKMONKSVGVLIFG-BBWFWOEESA-N 2 1 380.533 0.375 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000661237509 1190020438 /nfs/dbraw/zinc/02/04/38/1190020438.db2.gz NKMONKSVGVLIFG-BBWFWOEESA-N 2 1 380.533 0.375 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000661237509 1190020441 /nfs/dbraw/zinc/02/04/41/1190020441.db2.gz NKMONKSVGVLIFG-BBWFWOEESA-N 2 1 380.533 0.375 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000661237509 1190020446 /nfs/dbraw/zinc/02/04/46/1190020446.db2.gz NKMONKSVGVLIFG-BBWFWOEESA-N 2 1 380.533 0.375 20 0 GCADMP CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000662792714 1190031684 /nfs/dbraw/zinc/03/16/84/1190031684.db2.gz XOGUZBJDZHBSNZ-SFHVURJKSA-N 2 1 379.549 0.071 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)[C@@H]2C1 ZINC000661403665 1190043702 /nfs/dbraw/zinc/04/37/02/1190043702.db2.gz YNPCGXPWVWUJHU-OKZBNKHCSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000662873073 1190066837 /nfs/dbraw/zinc/06/68/37/1190066837.db2.gz UMISSOVSEWNGEK-SFHVURJKSA-N 2 1 393.553 0.929 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000411020559 1193721540 /nfs/dbraw/zinc/72/15/40/1193721540.db2.gz GJCPBLUAAJROAX-SFHVURJKSA-N 2 1 380.533 0.498 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)CC[N@@H+]1CCOC ZINC000411029931 1193723998 /nfs/dbraw/zinc/72/39/98/1193723998.db2.gz QRUCTVFBOWNCFT-ZWKOTPCHSA-N 2 1 382.549 0.887 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)CC[N@H+]1CCOC ZINC000411029931 1193724003 /nfs/dbraw/zinc/72/40/03/1193724003.db2.gz QRUCTVFBOWNCFT-ZWKOTPCHSA-N 2 1 382.549 0.887 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC[NH+]1CCOC ZINC000411029931 1193724006 /nfs/dbraw/zinc/72/40/06/1193724006.db2.gz QRUCTVFBOWNCFT-ZWKOTPCHSA-N 2 1 382.549 0.887 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC[NH+]1CCOC ZINC000411029931 1193724009 /nfs/dbraw/zinc/72/40/09/1193724009.db2.gz QRUCTVFBOWNCFT-ZWKOTPCHSA-N 2 1 382.549 0.887 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)C(=O)NCC(F)(F)C[NH3+] ZINC000419225680 1193725821 /nfs/dbraw/zinc/72/58/21/1193725821.db2.gz HNJYLLCMYYIFOS-KBPBESRZSA-N 2 1 382.455 0.969 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512676257 1193731504 /nfs/dbraw/zinc/73/15/04/1193731504.db2.gz BLPICGWGVFJQKI-MOPGFXCFSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512676257 1193731506 /nfs/dbraw/zinc/73/15/06/1193731506.db2.gz BLPICGWGVFJQKI-MOPGFXCFSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512676257 1193731510 /nfs/dbraw/zinc/73/15/10/1193731510.db2.gz BLPICGWGVFJQKI-MOPGFXCFSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419233198 1193744366 /nfs/dbraw/zinc/74/43/66/1193744366.db2.gz VQPUBNBLERPTJN-JFRXWTBNSA-N 2 1 388.512 0.364 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000512736445 1193748633 /nfs/dbraw/zinc/74/86/33/1193748633.db2.gz VBKQEKSWIUMIEF-WBVHZDCISA-N 2 1 396.557 0.942 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664006006 1193750977 /nfs/dbraw/zinc/75/09/77/1193750977.db2.gz FUQCECRQXSUOEO-GOSISDBHSA-N 2 1 380.533 0.872 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NCC12CCC[NH+]1CCC2 ZINC000614226882 1193751744 /nfs/dbraw/zinc/75/17/44/1193751744.db2.gz LBOBOGFGGZIIPH-QGZVFWFLSA-N 2 1 378.517 0.444 20 0 GCADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880170 1193762139 /nfs/dbraw/zinc/76/21/39/1193762139.db2.gz SYLWEVHKTXWWPN-RTBURBONSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCOCC2)C1 ZINC000549880170 1193762142 /nfs/dbraw/zinc/76/21/42/1193762142.db2.gz SYLWEVHKTXWWPN-RTBURBONSA-N 2 1 394.560 0.938 20 0 GCADMP CC(C)(C)NC(=O)CN1CCC(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433143382 1193764500 /nfs/dbraw/zinc/76/45/00/1193764500.db2.gz HNOKAUPXERINCB-UHFFFAOYSA-N 2 1 395.592 0.933 20 0 GCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000419268058 1193776686 /nfs/dbraw/zinc/77/66/86/1193776686.db2.gz LIQZOAMILUEQJP-MRXNPFEDSA-N 2 1 388.512 0.721 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266313 1193777163 /nfs/dbraw/zinc/77/71/63/1193777163.db2.gz GIZHPQYQCGCCSQ-GOSISDBHSA-N 2 1 376.501 0.625 20 0 GCADMP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419269407 1193777255 /nfs/dbraw/zinc/77/72/55/1193777255.db2.gz OKSRLUPLFHRXFT-RTBURBONSA-N 2 1 388.512 0.769 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419266638 1193777526 /nfs/dbraw/zinc/77/75/26/1193777526.db2.gz HHSSCMMUGVNJBR-MOPGFXCFSA-N 2 1 386.496 0.203 20 0 GCADMP C[C@]1(CNC(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)CCC[NH2+]C1 ZINC000419269926 1193778107 /nfs/dbraw/zinc/77/81/07/1193778107.db2.gz PVDZXBVTCMYBMN-NRFANRHFSA-N 2 1 388.512 0.641 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H](N3CCOCC3)C(F)(F)F)cn2)CC1 ZINC000512977134 1193816002 /nfs/dbraw/zinc/81/60/02/1193816002.db2.gz GVQCSKFPCPBRIB-HNNXBMFYSA-N 2 1 388.438 0.581 20 0 GCADMP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138444 1193817513 /nfs/dbraw/zinc/81/75/13/1193817513.db2.gz BZBCTXOVISKYOX-IPMKNSEASA-N 2 1 381.565 0.953 20 0 GCADMP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138442 1193817862 /nfs/dbraw/zinc/81/78/62/1193817862.db2.gz BZBCTXOVISKYOX-GUDVDZBRSA-N 2 1 381.565 0.953 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000419329440 1193822528 /nfs/dbraw/zinc/82/25/28/1193822528.db2.gz FJCDNOIIWFIZTO-LJQANCHMSA-N 2 1 387.528 0.309 20 0 GCADMP [NH3+]CCN(CCO)C(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000419330819 1193823292 /nfs/dbraw/zinc/82/32/92/1193823292.db2.gz CFMRDJBISPNNIZ-INIZCTEOSA-N 2 1 382.892 0.373 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CCO1 ZINC000419335511 1193828560 /nfs/dbraw/zinc/82/85/60/1193828560.db2.gz HOFWUCWACFEWMJ-IRXDYDNUSA-N 2 1 394.903 0.779 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419335755 1193828895 /nfs/dbraw/zinc/82/88/95/1193828895.db2.gz JYVXRQRHRREBOF-INIZCTEOSA-N 2 1 375.517 0.151 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000419346085 1193841625 /nfs/dbraw/zinc/84/16/25/1193841625.db2.gz UVCJULOLCFIYCS-IBGZPJMESA-N 2 1 387.528 0.248 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000433451000 1193842841 /nfs/dbraw/zinc/84/28/41/1193842841.db2.gz AUAGZTGDVDDITD-IAGOWNOFSA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000433451000 1193842844 /nfs/dbraw/zinc/84/28/44/1193842844.db2.gz AUAGZTGDVDDITD-IAGOWNOFSA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000433451000 1193842845 /nfs/dbraw/zinc/84/28/45/1193842845.db2.gz AUAGZTGDVDDITD-IAGOWNOFSA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)[C@H](C)C1 ZINC000433451000 1193842850 /nfs/dbraw/zinc/84/28/50/1193842850.db2.gz AUAGZTGDVDDITD-IAGOWNOFSA-N 2 1 384.521 0.766 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000419349980 1193845285 /nfs/dbraw/zinc/84/52/85/1193845285.db2.gz YWJGBZZJWZHAAB-QGZVFWFLSA-N 2 1 387.528 0.248 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857115 /nfs/dbraw/zinc/85/71/15/1193857115.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857121 /nfs/dbraw/zinc/85/71/21/1193857121.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857126 /nfs/dbraw/zinc/85/71/26/1193857126.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857132 /nfs/dbraw/zinc/85/71/32/1193857132.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131507 1193857135 /nfs/dbraw/zinc/85/71/35/1193857135.db2.gz ZSGGPXJPIMEEQX-QFBILLFUSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000576347286 1193860754 /nfs/dbraw/zinc/86/07/54/1193860754.db2.gz WZYLNKZUMSKXOL-GOSISDBHSA-N 2 1 380.533 0.548 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433457644 1193860875 /nfs/dbraw/zinc/86/08/75/1193860875.db2.gz QEFKGOXLXSJFNP-SFHVURJKSA-N 2 1 397.564 0.683 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000419364872 1193870263 /nfs/dbraw/zinc/87/02/63/1193870263.db2.gz XEMFCDJULBHELR-KRWDZBQOSA-N 2 1 390.532 0.200 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385695 1193893566 /nfs/dbraw/zinc/89/35/66/1193893566.db2.gz ATRKUJSUMIRYKO-NJAFHUGGSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385695 1193893572 /nfs/dbraw/zinc/89/35/72/1193893572.db2.gz ATRKUJSUMIRYKO-NJAFHUGGSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385694 1193893759 /nfs/dbraw/zinc/89/37/59/1193893759.db2.gz ATRKUJSUMIRYKO-KBAYOESNSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385694 1193893763 /nfs/dbraw/zinc/89/37/63/1193893763.db2.gz ATRKUJSUMIRYKO-KBAYOESNSA-N 2 1 390.553 0.916 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388312 1193898473 /nfs/dbraw/zinc/89/84/73/1193898473.db2.gz DJRBOPGXLPNSOX-MSOLQXFVSA-N 2 1 390.553 0.788 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388312 1193898477 /nfs/dbraw/zinc/89/84/77/1193898477.db2.gz DJRBOPGXLPNSOX-MSOLQXFVSA-N 2 1 390.553 0.788 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000549923316 1193901101 /nfs/dbraw/zinc/90/11/01/1193901101.db2.gz LLJIRSQAXMXJSO-SFHVURJKSA-N 2 1 389.544 0.771 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419390035 1193902402 /nfs/dbraw/zinc/90/24/02/1193902402.db2.gz FXFCNVDNBHXGCG-DLBZAZTESA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419390035 1193902403 /nfs/dbraw/zinc/90/24/03/1193902403.db2.gz FXFCNVDNBHXGCG-DLBZAZTESA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419390037 1193902603 /nfs/dbraw/zinc/90/26/03/1193902603.db2.gz FXFCNVDNBHXGCG-IRXDYDNUSA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419390037 1193902607 /nfs/dbraw/zinc/90/26/07/1193902607.db2.gz FXFCNVDNBHXGCG-IRXDYDNUSA-N 2 1 376.526 0.574 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)CC1=O ZINC000261670002 1193922628 /nfs/dbraw/zinc/92/26/28/1193922628.db2.gz GIABROIVONWCCN-ZACQAIPSSA-N 2 1 388.516 0.226 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)CC1=O ZINC000261670002 1193922630 /nfs/dbraw/zinc/92/26/30/1193922630.db2.gz GIABROIVONWCCN-ZACQAIPSSA-N 2 1 388.516 0.226 20 0 GCADMP O=C(CCN1CCOCC1)Nc1cc(NC(=O)C[C@H]2COCCN2)ccc1F ZINC000262316414 1193944977 /nfs/dbraw/zinc/94/49/77/1193944977.db2.gz DKXOVIWMDFFOBN-HNNXBMFYSA-N 2 1 394.447 0.804 20 0 GCADMP [NH3+]CCc1nc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000262355179 1193945911 /nfs/dbraw/zinc/94/59/11/1193945911.db2.gz JFMOPTZJPGRFRI-UHFFFAOYSA-N 2 1 387.509 0.719 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175862 1193948164 /nfs/dbraw/zinc/94/81/64/1193948164.db2.gz ROGWFODOZNOMGD-ROUUACIJSA-N 2 1 395.548 0.470 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513464452 1193953858 /nfs/dbraw/zinc/95/38/58/1193953858.db2.gz YJZLUIYSTCTSFE-INIZCTEOSA-N 2 1 383.581 0.563 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000513464452 1193953862 /nfs/dbraw/zinc/95/38/62/1193953862.db2.gz YJZLUIYSTCTSFE-INIZCTEOSA-N 2 1 383.581 0.563 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCC[C@@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017739 1193959160 /nfs/dbraw/zinc/95/91/60/1193959160.db2.gz UDNSZRSAEZALMA-HOTGVXAUSA-N 2 1 382.534 0.178 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCC[C@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017741 1193959380 /nfs/dbraw/zinc/95/93/80/1193959380.db2.gz UDNSZRSAEZALMA-JKSUJKDBSA-N 2 1 382.534 0.178 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000263077236 1193961790 /nfs/dbraw/zinc/96/17/90/1193961790.db2.gz CQAUSOGHWLNKLD-FQEVSTJZSA-N 2 1 389.544 0.362 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000513601827 1193966379 /nfs/dbraw/zinc/96/63/79/1193966379.db2.gz AGBHVNOEJWCASO-AWEZNQCLSA-N 2 1 375.473 0.535 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261807120 1194010839 /nfs/dbraw/zinc/01/08/39/1194010839.db2.gz JGMJRPRGXBFMIN-MJGOQNOKSA-N 3 1 393.576 0.556 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261807120 1194010842 /nfs/dbraw/zinc/01/08/42/1194010842.db2.gz JGMJRPRGXBFMIN-MJGOQNOKSA-N 2 1 393.576 0.556 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000419402277 1194020173 /nfs/dbraw/zinc/02/01/73/1194020173.db2.gz CBKPLFXETVIFEK-NJAFHUGGSA-N 2 1 380.533 0.579 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401429 1194020331 /nfs/dbraw/zinc/02/03/31/1194020331.db2.gz OQQRKABGVSETJK-SJORKVTESA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401429 1194020334 /nfs/dbraw/zinc/02/03/34/1194020334.db2.gz OQQRKABGVSETJK-SJORKVTESA-N 2 1 376.526 0.670 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419404600 1194020771 /nfs/dbraw/zinc/02/07/71/1194020771.db2.gz UBYQXNMAHTYESU-NXHRZFHOSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000419404600 1194020775 /nfs/dbraw/zinc/02/07/75/1194020775.db2.gz UBYQXNMAHTYESU-NXHRZFHOSA-N 2 1 390.553 0.916 20 0 GCADMP CC[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419404045 1194021016 /nfs/dbraw/zinc/02/10/16/1194021016.db2.gz FGPYXGRVNRNNIE-MOPGFXCFSA-N 2 1 388.512 0.434 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419402017 1194021106 /nfs/dbraw/zinc/02/11/06/1194021106.db2.gz PTDYVBZPXZGYEL-SJORKVTESA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419402017 1194021111 /nfs/dbraw/zinc/02/11/11/1194021111.db2.gz PTDYVBZPXZGYEL-SJORKVTESA-N 2 1 376.526 0.670 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419419709 1194022421 /nfs/dbraw/zinc/02/24/21/1194022421.db2.gz MIEQBBOHUGZSNO-LJQANCHMSA-N 2 1 387.528 0.260 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419421710 1194023519 /nfs/dbraw/zinc/02/35/19/1194023519.db2.gz PJHFHZKUMNLVPR-LJQANCHMSA-N 2 1 387.528 0.164 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419420655 1194023623 /nfs/dbraw/zinc/02/36/23/1194023623.db2.gz KCXZPZAPPUHGKH-CALCHBBNSA-N 2 1 382.549 0.827 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421425 1194023803 /nfs/dbraw/zinc/02/38/03/1194023803.db2.gz VTAXODPLFLITDX-MSOLQXFVSA-N 2 1 376.501 0.508 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421425 1194023807 /nfs/dbraw/zinc/02/38/07/1194023807.db2.gz VTAXODPLFLITDX-MSOLQXFVSA-N 2 1 376.501 0.508 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420925 1194024287 /nfs/dbraw/zinc/02/42/87/1194024287.db2.gz NYRBVUNNVJNKIJ-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420925 1194024290 /nfs/dbraw/zinc/02/42/90/1194024290.db2.gz NYRBVUNNVJNKIJ-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420925 1194024293 /nfs/dbraw/zinc/02/42/93/1194024293.db2.gz NYRBVUNNVJNKIJ-RTBURBONSA-N 2 1 387.528 0.350 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419421005 1194024394 /nfs/dbraw/zinc/02/43/94/1194024394.db2.gz OECMRPLBQLSSEF-LJQANCHMSA-N 2 1 387.528 0.179 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419421428 1194024675 /nfs/dbraw/zinc/02/46/75/1194024675.db2.gz VTAXODPLFLITDX-ZWKOTPCHSA-N 2 1 376.501 0.508 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419421428 1194024680 /nfs/dbraw/zinc/02/46/80/1194024680.db2.gz VTAXODPLFLITDX-ZWKOTPCHSA-N 2 1 376.501 0.508 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424307 1194025242 /nfs/dbraw/zinc/02/52/42/1194025242.db2.gz SXZLQDHJKYJHBY-GOSISDBHSA-N 2 1 375.517 0.207 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419424307 1194025247 /nfs/dbraw/zinc/02/52/47/1194025247.db2.gz SXZLQDHJKYJHBY-GOSISDBHSA-N 2 1 375.517 0.207 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419424307 1194025252 /nfs/dbraw/zinc/02/52/52/1194025252.db2.gz SXZLQDHJKYJHBY-GOSISDBHSA-N 2 1 375.517 0.207 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423115 1194025754 /nfs/dbraw/zinc/02/57/54/1194025754.db2.gz YCUPMASXZXBUCW-NJAFHUGGSA-N 2 1 376.501 0.493 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423115 1194025758 /nfs/dbraw/zinc/02/57/58/1194025758.db2.gz YCUPMASXZXBUCW-NJAFHUGGSA-N 2 1 376.501 0.493 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410790 1194028523 /nfs/dbraw/zinc/02/85/23/1194028523.db2.gz GSVHLLYSGFQXTJ-MSOLQXFVSA-N 2 1 376.501 0.508 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410790 1194028526 /nfs/dbraw/zinc/02/85/26/1194028526.db2.gz GSVHLLYSGFQXTJ-MSOLQXFVSA-N 2 1 376.501 0.508 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419411314 1194029585 /nfs/dbraw/zinc/02/95/85/1194029585.db2.gz HNBOLXWPYBMXNA-QZTJIDSGSA-N 2 1 376.501 0.637 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCCCC[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419411314 1194029590 /nfs/dbraw/zinc/02/95/90/1194029590.db2.gz HNBOLXWPYBMXNA-QZTJIDSGSA-N 2 1 376.501 0.637 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413547 1194030451 /nfs/dbraw/zinc/03/04/51/1194030451.db2.gz KZRBGVOGLYDLDM-GBESFXJTSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413547 1194030454 /nfs/dbraw/zinc/03/04/54/1194030454.db2.gz KZRBGVOGLYDLDM-GBESFXJTSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413545 1194030525 /nfs/dbraw/zinc/03/05/25/1194030525.db2.gz KZRBGVOGLYDLDM-CEXWTWQISA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413545 1194030528 /nfs/dbraw/zinc/03/05/28/1194030528.db2.gz KZRBGVOGLYDLDM-CEXWTWQISA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413044 1194030864 /nfs/dbraw/zinc/03/08/64/1194030864.db2.gz KCLCXDIRUQXLGY-WDSOQIARSA-N 2 1 390.528 0.754 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413044 1194030869 /nfs/dbraw/zinc/03/08/69/1194030869.db2.gz KCLCXDIRUQXLGY-WDSOQIARSA-N 2 1 390.528 0.754 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000419414016 1194031124 /nfs/dbraw/zinc/03/11/24/1194031124.db2.gz DRYBMDVYRKDJCT-OALUTQOASA-N 2 1 388.512 0.516 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416643 1194032495 /nfs/dbraw/zinc/03/24/95/1194032495.db2.gz OVJCCUKSUYOCKU-IRXDYDNUSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416643 1194032500 /nfs/dbraw/zinc/03/25/00/1194032500.db2.gz OVJCCUKSUYOCKU-IRXDYDNUSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419417740 1194032552 /nfs/dbraw/zinc/03/25/52/1194032552.db2.gz QCQSHVYKUXNVRE-CEXWTWQISA-N 2 1 388.512 0.589 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@H](C[NH3+])C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419417740 1194032556 /nfs/dbraw/zinc/03/25/56/1194032556.db2.gz QCQSHVYKUXNVRE-CEXWTWQISA-N 2 1 388.512 0.589 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416158 1194032665 /nfs/dbraw/zinc/03/26/65/1194032665.db2.gz OEFMSQGDNDYQKB-BPQIPLTHSA-N 2 1 376.501 0.588 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416158 1194032670 /nfs/dbraw/zinc/03/26/70/1194032670.db2.gz OEFMSQGDNDYQKB-BPQIPLTHSA-N 2 1 376.501 0.588 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000419445187 1194035934 /nfs/dbraw/zinc/03/59/34/1194035934.db2.gz DOKVZIUIJRUULI-SCTDSRPQSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419448530 1194036299 /nfs/dbraw/zinc/03/62/99/1194036299.db2.gz IYZBWDGMKOJBAH-KURKYZTESA-N 2 1 387.528 0.509 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000419478438 1194040131 /nfs/dbraw/zinc/04/01/31/1194040131.db2.gz JRPGYQNMEQDMPE-GOSISDBHSA-N 2 1 381.565 0.544 20 0 GCADMP Cc1cccc(N2CC[NH+](CCCNC(=O)C(=O)NCC(F)(F)C[NH3+])CC2)c1 ZINC000419499120 1194046350 /nfs/dbraw/zinc/04/63/50/1194046350.db2.gz ALTIWNKHGQENPE-UHFFFAOYSA-N 2 1 397.470 0.334 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504702 1194046627 /nfs/dbraw/zinc/04/66/27/1194046627.db2.gz KJUULNNSZJGFSR-WWDZGPRUSA-N 2 1 387.528 0.699 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)c1 ZINC000419505771 1194046777 /nfs/dbraw/zinc/04/67/77/1194046777.db2.gz KXVZYCITUIERIW-INIZCTEOSA-N 2 1 392.500 0.080 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504965 1194046943 /nfs/dbraw/zinc/04/69/43/1194046943.db2.gz LBHBUBHHNIFXKD-KURKYZTESA-N 2 1 387.528 0.570 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504699 1194047057 /nfs/dbraw/zinc/04/70/57/1194047057.db2.gz KJUULNNSZJGFSR-AOCRQIFASA-N 2 1 387.528 0.699 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505176 1194047824 /nfs/dbraw/zinc/04/78/24/1194047824.db2.gz LEZSDIQBBPTGAG-ZWKOTPCHSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419508775 1194048448 /nfs/dbraw/zinc/04/84/48/1194048448.db2.gz RJIICJXVLXMWGM-KRWDZBQOSA-N 2 1 387.528 0.524 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510076 1194050001 /nfs/dbraw/zinc/05/00/01/1194050001.db2.gz SWLRJJDSHBVQKX-MSOLQXFVSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419511805 1194050017 /nfs/dbraw/zinc/05/00/17/1194050017.db2.gz WDJJSZXAHYXHGA-KRWDZBQOSA-N 2 1 389.544 0.757 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCC[C@@H]1CC[NH2+]C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419510078 1194050260 /nfs/dbraw/zinc/05/02/60/1194050260.db2.gz SWLRJJDSHBVQKX-ROUUACIJSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419512603 1194050775 /nfs/dbraw/zinc/05/07/75/1194050775.db2.gz XJPKOCDAQVYXNC-BZSNNMDCSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCCC[NH2+]C1CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511340 1194051006 /nfs/dbraw/zinc/05/10/06/1194051006.db2.gz VKGVOGHHGOVZJO-KRWDZBQOSA-N 2 1 387.528 0.572 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419513634 1194051195 /nfs/dbraw/zinc/05/11/95/1194051195.db2.gz ZQTCOZDPWSSDAA-HKUYNNGSSA-N 2 1 387.528 0.524 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000419557796 1194054540 /nfs/dbraw/zinc/05/45/40/1194054540.db2.gz LQXBSCUMBPOMMT-HOCLYGCPSA-N 2 1 382.530 0.599 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000419535963 1194055060 /nfs/dbraw/zinc/05/50/60/1194055060.db2.gz LQEHFIGKSZRNMU-FUHWJXTLSA-N 2 1 376.501 0.619 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000419560702 1194061063 /nfs/dbraw/zinc/06/10/63/1194061063.db2.gz RKRXSVDVYOOEEK-FCLVOEFKSA-N 2 1 388.512 0.856 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000419656814 1194074558 /nfs/dbraw/zinc/07/45/58/1194074558.db2.gz IZXUNSIRCAYBSO-FUHWJXTLSA-N 2 1 376.501 0.508 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419666313 1194078284 /nfs/dbraw/zinc/07/82/84/1194078284.db2.gz VZMZPFUTMXPHNG-QRQLOZEOSA-N 2 1 388.512 0.650 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000419706342 1194083208 /nfs/dbraw/zinc/08/32/08/1194083208.db2.gz KDIRLFHNRMPUOR-MXSMSXNCSA-N 2 1 388.512 0.995 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419719534 1194092130 /nfs/dbraw/zinc/09/21/30/1194092130.db2.gz GQGUUXPTGXLFNI-OAHLLOKOSA-N 2 1 380.439 0.914 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCO1 ZINC000419718770 1194092447 /nfs/dbraw/zinc/09/24/47/1194092447.db2.gz FBEDVVPDIJZANW-OAHLLOKOSA-N 2 1 396.438 0.232 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000419737931 1194099574 /nfs/dbraw/zinc/09/95/74/1194099574.db2.gz YJUGPAOBEJFLDA-ZWKOTPCHSA-N 2 1 376.501 0.763 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000419764211 1194101434 /nfs/dbraw/zinc/10/14/34/1194101434.db2.gz VURHRHAISDDDRJ-XJKSGUPXSA-N 2 1 380.464 0.603 20 0 GCADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)C1CC1 ZINC000419772736 1194102967 /nfs/dbraw/zinc/10/29/67/1194102967.db2.gz ZCCNWGRKAJCPSX-RTBURBONSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000419812031 1194112548 /nfs/dbraw/zinc/11/25/48/1194112548.db2.gz HTYFIXYQLDANGR-ZACQAIPSSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@H]2C)C[C@H](C)O1 ZINC000419812031 1194112549 /nfs/dbraw/zinc/11/25/49/1194112549.db2.gz HTYFIXYQLDANGR-ZACQAIPSSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[NH2+]C[C@@H]2C)C[C@H](C)O1 ZINC000419812026 1194112752 /nfs/dbraw/zinc/11/27/52/1194112752.db2.gz HTYFIXYQLDANGR-ULQDDVLXSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000419815250 1194113115 /nfs/dbraw/zinc/11/31/15/1194113115.db2.gz JOFACCRLUOLJBQ-IYBDPMFKSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000419815250 1194113118 /nfs/dbraw/zinc/11/31/18/1194113118.db2.gz JOFACCRLUOLJBQ-IYBDPMFKSA-N 2 1 388.512 0.862 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419832215 1194116031 /nfs/dbraw/zinc/11/60/31/1194116031.db2.gz VMAPZRZKGFGWFE-IRXDYDNUSA-N 2 1 390.528 0.980 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419832060 1194116553 /nfs/dbraw/zinc/11/65/53/1194116553.db2.gz RLOOQSUFNPRZRX-SFHVURJKSA-N 2 1 389.544 0.364 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419834526 1194117054 /nfs/dbraw/zinc/11/70/54/1194117054.db2.gz XFFAXLJZYGTXOH-JTDSTZFVSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)C[C@H](C)O1 ZINC000419834526 1194117058 /nfs/dbraw/zinc/11/70/58/1194117058.db2.gz XFFAXLJZYGTXOH-JTDSTZFVSA-N 2 1 388.512 0.862 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419845099 1194119748 /nfs/dbraw/zinc/11/97/48/1194119748.db2.gz PJKZIGRBIFAYFP-BHIYHBOVSA-N 2 1 393.576 0.650 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419845101 1194119911 /nfs/dbraw/zinc/11/99/11/1194119911.db2.gz PJKZIGRBIFAYFP-QXAKKESOSA-N 2 1 393.576 0.650 20 0 GCADMP CCN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419861562 1194124549 /nfs/dbraw/zinc/12/45/49/1194124549.db2.gz FPOLWGCJBQHTPD-LJQANCHMSA-N 2 1 387.528 0.131 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000419870515 1194127966 /nfs/dbraw/zinc/12/79/66/1194127966.db2.gz OMWNZBKOFDASIW-LJQANCHMSA-N 2 1 387.528 0.179 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419873223 1194128306 /nfs/dbraw/zinc/12/83/06/1194128306.db2.gz VCIHELHUJFJTJC-OTWHNJEPSA-N 2 1 393.576 0.636 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000419874177 1194128947 /nfs/dbraw/zinc/12/89/47/1194128947.db2.gz NHBVIPZOJSFBBN-YTQUADARSA-N 2 1 386.496 0.564 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419875562 1194129438 /nfs/dbraw/zinc/12/94/38/1194129438.db2.gz HFLWHXTUDYRFDN-KBAYOESNSA-N 2 1 379.549 0.260 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000419930661 1194140199 /nfs/dbraw/zinc/14/01/99/1194140199.db2.gz OKSGXJHUXHXEGL-QZTJIDSGSA-N 2 1 376.501 0.762 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000419930661 1194140203 /nfs/dbraw/zinc/14/02/03/1194140203.db2.gz OKSGXJHUXHXEGL-QZTJIDSGSA-N 2 1 376.501 0.762 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419908625 1194141700 /nfs/dbraw/zinc/14/17/00/1194141700.db2.gz IXIWEDTUADXROO-RBUKOAKNSA-N 2 1 395.592 0.898 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419950406 1194143281 /nfs/dbraw/zinc/14/32/81/1194143281.db2.gz MGSWNXZRDAAVDE-ZACQAIPSSA-N 2 1 382.549 0.696 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000419950372 1194143296 /nfs/dbraw/zinc/14/32/96/1194143296.db2.gz MEUQAXOMWGZQBF-GOSISDBHSA-N 2 1 389.544 0.234 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419938668 1194145703 /nfs/dbraw/zinc/14/57/03/1194145703.db2.gz PYQOJRNKEOPAOA-GOSISDBHSA-N 2 1 387.528 0.525 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419939862 1194146031 /nfs/dbraw/zinc/14/60/31/1194146031.db2.gz YWFFFEFJPCFJJA-GOSISDBHSA-N 2 1 375.517 0.287 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419939862 1194146034 /nfs/dbraw/zinc/14/60/34/1194146034.db2.gz YWFFFEFJPCFJJA-GOSISDBHSA-N 3 1 375.517 0.287 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000419940751 1194146338 /nfs/dbraw/zinc/14/63/38/1194146338.db2.gz VDWDGOZFAXZHEE-SOLBZPMBSA-N 2 1 380.533 0.593 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CCOC ZINC000419962918 1194148576 /nfs/dbraw/zinc/14/85/76/1194148576.db2.gz HJMZOMGTWLSSPL-MSOLQXFVSA-N 2 1 382.549 0.970 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1CCOC ZINC000419962918 1194148579 /nfs/dbraw/zinc/14/85/79/1194148579.db2.gz HJMZOMGTWLSSPL-MSOLQXFVSA-N 2 1 382.549 0.970 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419979999 1194151418 /nfs/dbraw/zinc/15/14/18/1194151418.db2.gz QIDMIDFHWRENRT-MRXNPFEDSA-N 2 1 378.542 0.941 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@H]2C)CC1 ZINC000420023953 1194158405 /nfs/dbraw/zinc/15/84/05/1194158405.db2.gz AXVWYIPQJZRLJE-GOEBONIOSA-N 2 1 390.484 0.989 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000420036472 1194161385 /nfs/dbraw/zinc/16/13/85/1194161385.db2.gz FRKWLMHRRBKLEY-INIZCTEOSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@H+]1CC(C)(C)O ZINC000420036472 1194161387 /nfs/dbraw/zinc/16/13/87/1194161387.db2.gz FRKWLMHRRBKLEY-INIZCTEOSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420019079 1194162691 /nfs/dbraw/zinc/16/26/91/1194162691.db2.gz QPVWRUKVLPBGCT-UKBAYJJMSA-N 2 1 394.560 0.968 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000420059976 1194164546 /nfs/dbraw/zinc/16/45/46/1194164546.db2.gz KDHNDKQKHBRYMJ-LJQANCHMSA-N 2 1 387.528 0.116 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040227 1194166347 /nfs/dbraw/zinc/16/63/47/1194166347.db2.gz KRCFHGUPIRRCFC-MRXNPFEDSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420040227 1194166351 /nfs/dbraw/zinc/16/63/51/1194166351.db2.gz KRCFHGUPIRRCFC-MRXNPFEDSA-N 2 1 382.549 0.719 20 0 GCADMP O=C(NCC[NH2+]C1CCCCCC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000420044332 1194167600 /nfs/dbraw/zinc/16/76/00/1194167600.db2.gz RONQFISZDGRKLZ-UHFFFAOYSA-N 2 1 380.533 0.738 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000420044798 1194168177 /nfs/dbraw/zinc/16/81/77/1194168177.db2.gz UEUKTPDXDQTJIC-HIFRSBDPSA-N 2 1 377.489 0.430 20 0 GCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420103411 1194178622 /nfs/dbraw/zinc/17/86/22/1194178622.db2.gz QZRLWSMIZJIHBI-JOQOYGCGSA-N 2 1 394.466 0.937 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000420111450 1194181535 /nfs/dbraw/zinc/18/15/35/1194181535.db2.gz WUAURXQPYVYLRP-LLGFUMIMSA-N 2 1 394.560 0.840 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCC1 ZINC000420092606 1194183082 /nfs/dbraw/zinc/18/30/82/1194183082.db2.gz ONYIZMDBOVFISL-UHFFFAOYSA-N 2 1 380.411 0.097 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)C[C@H](C)O1 ZINC000420137168 1194184874 /nfs/dbraw/zinc/18/48/74/1194184874.db2.gz WRYUQSOAMZARQH-IMBTUZDBSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000420119138 1194187008 /nfs/dbraw/zinc/18/70/08/1194187008.db2.gz IXXWYCQFVOCHQB-QZTJIDSGSA-N 2 1 387.528 0.524 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420160740 1194191066 /nfs/dbraw/zinc/19/10/66/1194191066.db2.gz VICDYFIBZLWRMO-NEWSRXKRSA-N 2 1 395.592 0.896 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420160744 1194191817 /nfs/dbraw/zinc/19/18/17/1194191817.db2.gz VICDYFIBZLWRMO-QRQLOZEOSA-N 2 1 395.592 0.896 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420140742 1194192366 /nfs/dbraw/zinc/19/23/66/1194192366.db2.gz HASRVJKOWYORLG-JZXOWHBKSA-N 2 1 382.549 0.968 20 0 GCADMP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000420149189 1194193842 /nfs/dbraw/zinc/19/38/42/1194193842.db2.gz HNZWQRZXIZUVMP-BETUJISGSA-N 2 1 376.448 0.044 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000420149189 1194193843 /nfs/dbraw/zinc/19/38/43/1194193843.db2.gz HNZWQRZXIZUVMP-BETUJISGSA-N 2 1 376.448 0.044 20 0 GCADMP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154855 1194194848 /nfs/dbraw/zinc/19/48/48/1194194848.db2.gz SOVJTSIWHBGIKI-HNNXBMFYSA-N 2 1 383.443 0.605 20 0 GCADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000420154855 1194194851 /nfs/dbraw/zinc/19/48/51/1194194851.db2.gz SOVJTSIWHBGIKI-HNNXBMFYSA-N 2 1 383.443 0.605 20 0 GCADMP O=C(NC[C@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000420182089 1194197140 /nfs/dbraw/zinc/19/71/40/1194197140.db2.gz FEYPJGKMKOLSQM-CEXWTWQISA-N 2 1 386.496 0.072 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420168955 1194200079 /nfs/dbraw/zinc/20/00/79/1194200079.db2.gz KWIOMCHCOSCDMI-ZACQAIPSSA-N 2 1 382.549 0.839 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000420170411 1194200328 /nfs/dbraw/zinc/20/03/28/1194200328.db2.gz MJJLKDGJAHCZCR-QGZVFWFLSA-N 2 1 375.517 0.381 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420174607 1194201453 /nfs/dbraw/zinc/20/14/53/1194201453.db2.gz UAULAHPMVALDMU-OXQOHEQNSA-N 2 1 376.501 0.196 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420189544 1194206571 /nfs/dbraw/zinc/20/65/71/1194206571.db2.gz UZHJLXGYJXNVCK-SFHVURJKSA-N 2 1 376.501 0.462 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501595717 1194207696 /nfs/dbraw/zinc/20/76/96/1194207696.db2.gz HEICCQYDWMHLRO-QFBILLFUSA-N 2 1 392.544 0.737 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420194306 1194208221 /nfs/dbraw/zinc/20/82/21/1194208221.db2.gz JRTSRYMVSDUAPW-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@H+]1Cc1ccccc1 ZINC000420194306 1194208224 /nfs/dbraw/zinc/20/82/24/1194208224.db2.gz JRTSRYMVSDUAPW-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622159 1194209318 /nfs/dbraw/zinc/20/93/18/1194209318.db2.gz IIERKONUVIOOBA-ZIFCJYIRSA-N 2 1 394.560 0.983 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622159 1194209320 /nfs/dbraw/zinc/20/93/20/1194209320.db2.gz IIERKONUVIOOBA-ZIFCJYIRSA-N 2 1 394.560 0.983 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C[C@H](C)O1 ZINC000501622159 1194209324 /nfs/dbraw/zinc/20/93/24/1194209324.db2.gz IIERKONUVIOOBA-ZIFCJYIRSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420222147 1194209507 /nfs/dbraw/zinc/20/95/07/1194209507.db2.gz RLZHMUQSBXTFEE-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420222147 1194209511 /nfs/dbraw/zinc/20/95/11/1194209511.db2.gz RLZHMUQSBXTFEE-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420224254 1194210617 /nfs/dbraw/zinc/21/06/17/1194210617.db2.gz WULJQVQNGVLUBL-GOSISDBHSA-N 2 1 388.512 0.604 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420224254 1194210621 /nfs/dbraw/zinc/21/06/21/1194210621.db2.gz WULJQVQNGVLUBL-GOSISDBHSA-N 2 1 388.512 0.604 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000501647456 1194216351 /nfs/dbraw/zinc/21/63/51/1194216351.db2.gz WVQVPAXYYZEDBQ-INMHGKMJSA-N 2 1 378.517 0.345 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501634597 1194216488 /nfs/dbraw/zinc/21/64/88/1194216488.db2.gz DSWAYWATHWUPKW-RTBURBONSA-N 2 1 392.544 0.548 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501634597 1194216493 /nfs/dbraw/zinc/21/64/93/1194216493.db2.gz DSWAYWATHWUPKW-RTBURBONSA-N 2 1 392.544 0.548 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[N@H+]1C1CC1 ZINC000501647455 1194216544 /nfs/dbraw/zinc/21/65/44/1194216544.db2.gz WVQVPAXYYZEDBQ-HLLBOEOZSA-N 2 1 378.517 0.345 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000501637650 1194217216 /nfs/dbraw/zinc/21/72/16/1194217216.db2.gz JHOIXCVVJKNVRM-KRWDZBQOSA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501651819 1194218561 /nfs/dbraw/zinc/21/85/61/1194218561.db2.gz YLEVNJDUKWASIQ-WMZOPIPTSA-N 2 1 394.560 0.840 20 0 GCADMP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000420351578 1194223150 /nfs/dbraw/zinc/22/31/50/1194223150.db2.gz XJVQRHFQLSFSSA-OAHLLOKOSA-N 2 1 389.456 0.085 20 0 GCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NC(=O)Nc1ccc2c(c1)OCCO2 ZINC000420351578 1194223155 /nfs/dbraw/zinc/22/31/55/1194223155.db2.gz XJVQRHFQLSFSSA-OAHLLOKOSA-N 2 1 389.456 0.085 20 0 GCADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCC(=O)NC(=O)NCc3ccccc3)C2)nn1 ZINC000420387702 1194225685 /nfs/dbraw/zinc/22/56/85/1194225685.db2.gz WFRNOZDCMXVNST-KRWDZBQOSA-N 2 1 385.472 0.790 20 0 GCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420374240 1194227423 /nfs/dbraw/zinc/22/74/23/1194227423.db2.gz HFPNVMAGSXGISM-SJORKVTESA-N 2 1 394.541 0.436 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000420374240 1194227425 /nfs/dbraw/zinc/22/74/25/1194227425.db2.gz HFPNVMAGSXGISM-SJORKVTESA-N 2 1 394.541 0.436 20 0 GCADMP C[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420408556 1194229529 /nfs/dbraw/zinc/22/95/29/1194229529.db2.gz PMRTTYNVNLWUAA-GDBMZVCRSA-N 2 1 382.530 0.300 20 0 GCADMP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000545883904 1194232430 /nfs/dbraw/zinc/23/24/30/1194232430.db2.gz UHTALSAPNXJEIZ-MAUKXSAKSA-N 2 1 381.546 0.402 20 0 GCADMP C[N@H+]1CC[C@@](O)(CNC(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000545883904 1194232433 /nfs/dbraw/zinc/23/24/33/1194232433.db2.gz UHTALSAPNXJEIZ-MAUKXSAKSA-N 2 1 381.546 0.402 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000420756545 1194260954 /nfs/dbraw/zinc/26/09/54/1194260954.db2.gz FFAPVTCADZCQHC-KRWDZBQOSA-N 2 1 375.521 0.724 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000420756545 1194260957 /nfs/dbraw/zinc/26/09/57/1194260957.db2.gz FFAPVTCADZCQHC-KRWDZBQOSA-N 2 1 375.521 0.724 20 0 GCADMP COc1cccc([C@H](CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)[NH+](C)C)c1 ZINC000420849905 1194268859 /nfs/dbraw/zinc/26/88/59/1194268859.db2.gz UWJURLZLLMMMIL-AEFFLSMTSA-N 2 1 376.501 0.967 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCC[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000421130524 1194297657 /nfs/dbraw/zinc/29/76/57/1194297657.db2.gz PQVOVWFCLLLTBD-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCCCC[N@@H+](C)C2CC2)C[C@@H](C)O1 ZINC000421130524 1194297660 /nfs/dbraw/zinc/29/76/60/1194297660.db2.gz PQVOVWFCLLLTBD-HZPDHXFCSA-N 2 1 382.549 0.981 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)N1CC[NH+](C)CC1 ZINC000421249661 1194317508 /nfs/dbraw/zinc/31/75/08/1194317508.db2.gz MLLFZNRAXALBOB-MSOLQXFVSA-N 2 1 381.565 0.316 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000549955978 1194357258 /nfs/dbraw/zinc/35/72/58/1194357258.db2.gz GZAQXOGMWFBZAP-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000549955978 1194357261 /nfs/dbraw/zinc/35/72/61/1194357261.db2.gz GZAQXOGMWFBZAP-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000422098298 1194384007 /nfs/dbraw/zinc/38/40/07/1194384007.db2.gz BTYQFTBINZQBKT-IBGZPJMESA-N 2 1 394.560 0.890 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089924 1194388260 /nfs/dbraw/zinc/38/82/60/1194388260.db2.gz UZXIWOYMYBXZTN-QZTJIDSGSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089924 1194388264 /nfs/dbraw/zinc/38/82/64/1194388264.db2.gz UZXIWOYMYBXZTN-QZTJIDSGSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089924 1194388269 /nfs/dbraw/zinc/38/82/69/1194388269.db2.gz UZXIWOYMYBXZTN-QZTJIDSGSA-N 2 1 381.565 0.317 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000422111719 1194392470 /nfs/dbraw/zinc/39/24/70/1194392470.db2.gz DKNAXDIXBZBHBW-LMMKCTJWSA-N 2 1 394.560 0.887 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)CC1 ZINC000422136089 1194397806 /nfs/dbraw/zinc/39/78/06/1194397806.db2.gz KQHWUNXSEJYWTF-CEXWTWQISA-N 2 1 393.576 0.556 20 0 GCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422136089 1194397809 /nfs/dbraw/zinc/39/78/09/1194397809.db2.gz KQHWUNXSEJYWTF-CEXWTWQISA-N 2 1 393.576 0.556 20 0 GCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000422136089 1194397812 /nfs/dbraw/zinc/39/78/12/1194397812.db2.gz KQHWUNXSEJYWTF-CEXWTWQISA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000503183804 1194403677 /nfs/dbraw/zinc/40/36/77/1194403677.db2.gz WGPXZEFTHINCSK-OALUTQOASA-N 2 1 395.592 0.709 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c2)CC1 ZINC000272391249 1194456246 /nfs/dbraw/zinc/45/62/46/1194456246.db2.gz XYSDCIXBZLDIGN-ICSRJNTNSA-N 2 1 399.539 0.925 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000272719223 1194490773 /nfs/dbraw/zinc/49/07/73/1194490773.db2.gz BOPJQHSJTAQYEN-MOPGFXCFSA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272719223 1194490777 /nfs/dbraw/zinc/49/07/77/1194490777.db2.gz BOPJQHSJTAQYEN-MOPGFXCFSA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272719223 1194490780 /nfs/dbraw/zinc/49/07/80/1194490780.db2.gz BOPJQHSJTAQYEN-MOPGFXCFSA-N 2 1 375.517 0.298 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000272764475 1194498963 /nfs/dbraw/zinc/49/89/63/1194498963.db2.gz LGDTYPFJOYJHBV-RBUKOAKNSA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000272764475 1194498969 /nfs/dbraw/zinc/49/89/69/1194498969.db2.gz LGDTYPFJOYJHBV-RBUKOAKNSA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000272764475 1194498973 /nfs/dbraw/zinc/49/89/73/1194498973.db2.gz LGDTYPFJOYJHBV-RBUKOAKNSA-N 2 1 376.501 0.773 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422302747 1194609363 /nfs/dbraw/zinc/60/93/63/1194609363.db2.gz RWSZXRVHYODNSZ-INIZCTEOSA-N 2 1 382.530 0.475 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000422325501 1194614581 /nfs/dbraw/zinc/61/45/81/1194614581.db2.gz KEIAGIWOAMLBKO-KSZLIROESA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000422325501 1194614584 /nfs/dbraw/zinc/61/45/84/1194614584.db2.gz KEIAGIWOAMLBKO-KSZLIROESA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000422325501 1194614587 /nfs/dbraw/zinc/61/45/87/1194614587.db2.gz KEIAGIWOAMLBKO-KSZLIROESA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000422325500 1194614822 /nfs/dbraw/zinc/61/48/22/1194614822.db2.gz KEIAGIWOAMLBKO-BZSNNMDCSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[C@@H](C)C1 ZINC000422325500 1194614824 /nfs/dbraw/zinc/61/48/24/1194614824.db2.gz KEIAGIWOAMLBKO-BZSNNMDCSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[C@@H](C)C1 ZINC000422325500 1194614827 /nfs/dbraw/zinc/61/48/27/1194614827.db2.gz KEIAGIWOAMLBKO-BZSNNMDCSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000414654825 1194622638 /nfs/dbraw/zinc/62/26/38/1194622638.db2.gz CPJWPKMTXNJGKP-KRWDZBQOSA-N 2 1 378.473 0.436 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422396446 1194635816 /nfs/dbraw/zinc/63/58/16/1194635816.db2.gz LDMAGVQFOFNJFQ-SFHVURJKSA-N 2 1 382.549 0.933 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC2)CCO1 ZINC000422470727 1194646850 /nfs/dbraw/zinc/64/68/50/1194646850.db2.gz HEWPLFCNXHUZDA-HNNXBMFYSA-N 2 1 385.468 0.662 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCCCC[N@@H+](C)C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000422459626 1194649662 /nfs/dbraw/zinc/64/96/62/1194649662.db2.gz ZQBGYQZBQFZVMJ-KRWDZBQOSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422491339 1194651383 /nfs/dbraw/zinc/65/13/83/1194651383.db2.gz NPTNXNBPJRLESU-MSOLQXFVSA-N 2 1 382.549 0.794 20 0 GCADMP C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497879 1194652551 /nfs/dbraw/zinc/65/25/51/1194652551.db2.gz WLJLGJBNOGBYKQ-ROUUACIJSA-N 2 1 380.533 0.405 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000422519032 1194659968 /nfs/dbraw/zinc/65/99/68/1194659968.db2.gz OXRNWQSTIICACX-RTBURBONSA-N 2 1 390.528 0.660 20 0 GCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536756 1194664980 /nfs/dbraw/zinc/66/49/80/1194664980.db2.gz DMLBARRHXXMPRD-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536756 1194664983 /nfs/dbraw/zinc/66/49/83/1194664983.db2.gz DMLBARRHXXMPRD-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536756 1194664984 /nfs/dbraw/zinc/66/49/84/1194664984.db2.gz DMLBARRHXXMPRD-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000422544478 1194665474 /nfs/dbraw/zinc/66/54/74/1194665474.db2.gz QLBZNBJFCHWAOS-NUJGCVRESA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000422642515 1194681287 /nfs/dbraw/zinc/68/12/87/1194681287.db2.gz ZMIUTWBFIVGNEY-INMHGKMJSA-N 2 1 396.557 0.688 20 0 GCADMP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCC[NH+]2CCC2)CC1 ZINC000503584212 1194698751 /nfs/dbraw/zinc/69/87/51/1194698751.db2.gz ZYWXFAPUMIOWMW-UHFFFAOYSA-N 2 1 387.484 0.225 20 0 GCADMP C[N@H+]1CCCN(C(=O)c2ccccc2NC(=O)C(=O)NCC[NH+]2CCC2)CC1 ZINC000503584212 1194698754 /nfs/dbraw/zinc/69/87/54/1194698754.db2.gz ZYWXFAPUMIOWMW-UHFFFAOYSA-N 2 1 387.484 0.225 20 0 GCADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414700355 1194705320 /nfs/dbraw/zinc/70/53/20/1194705320.db2.gz GFQATZOTDKJJEV-MRXNPFEDSA-N 2 1 382.530 0.402 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000423044079 1194721935 /nfs/dbraw/zinc/72/19/35/1194721935.db2.gz ARFIKWGGQRGOKW-OAQYLSRUSA-N 2 1 388.512 0.927 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)cc1 ZINC000423044079 1194721937 /nfs/dbraw/zinc/72/19/37/1194721937.db2.gz ARFIKWGGQRGOKW-OAQYLSRUSA-N 2 1 388.512 0.927 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C1 ZINC000423117803 1194728313 /nfs/dbraw/zinc/72/83/13/1194728313.db2.gz XHKNAFHREIQHQJ-INIZCTEOSA-N 2 1 378.542 0.893 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000423121149 1194728755 /nfs/dbraw/zinc/72/87/55/1194728755.db2.gz IARCGORIUNXPGR-QILLFSRXSA-N 2 1 376.476 0.879 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)C[C@H]1C[NH3+] ZINC000423109123 1194730226 /nfs/dbraw/zinc/73/02/26/1194730226.db2.gz GYSXMPILAYDGLT-JKSUJKDBSA-N 2 1 378.542 0.878 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423112674 1194730631 /nfs/dbraw/zinc/73/06/31/1194730631.db2.gz JYSWAIURDCBNPK-LJQANCHMSA-N 2 1 376.526 0.647 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000423183288 1194733595 /nfs/dbraw/zinc/73/35/95/1194733595.db2.gz GCQMOKVOJKBWNS-ZHALLVOQSA-N 2 1 394.560 0.935 20 0 GCADMP CN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000423142715 1194733621 /nfs/dbraw/zinc/73/36/21/1194733621.db2.gz BINGFWFELKOCLZ-RBUKOAKNSA-N 2 1 388.512 0.686 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000423183698 1194733991 /nfs/dbraw/zinc/73/39/91/1194733991.db2.gz GQZURSDJICFFOH-XLAORIBOSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000423161293 1194734351 /nfs/dbraw/zinc/73/43/51/1194734351.db2.gz IQJZZBXAMVCVOJ-RTBURBONSA-N 2 1 387.528 0.962 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423170109 1194735094 /nfs/dbraw/zinc/73/50/94/1194735094.db2.gz XNCWXESIXZCKQY-GOSISDBHSA-N 2 1 375.517 0.962 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423182511 1194736138 /nfs/dbraw/zinc/73/61/38/1194736138.db2.gz FCXPFZJZUZYSHG-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423182511 1194736140 /nfs/dbraw/zinc/73/61/40/1194736140.db2.gz FCXPFZJZUZYSHG-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423185917 1194737804 /nfs/dbraw/zinc/73/78/04/1194737804.db2.gz KGCBXYUPVQTJQS-XWTMOSNGSA-N 2 1 382.549 0.918 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423185917 1194737806 /nfs/dbraw/zinc/73/78/06/1194737806.db2.gz KGCBXYUPVQTJQS-XWTMOSNGSA-N 2 1 382.549 0.918 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423203366 1194739396 /nfs/dbraw/zinc/73/93/96/1194739396.db2.gz CINVBHICYNDDCI-ZSYWTGECSA-N 2 1 393.576 0.589 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214494 1194740495 /nfs/dbraw/zinc/74/04/95/1194740495.db2.gz OYZODHGHPISHRB-FGTMMUONSA-N 2 1 379.549 0.214 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC(C[NH3+])CC2)CC1 ZINC000423217714 1194740697 /nfs/dbraw/zinc/74/06/97/1194740697.db2.gz ULEQAAADBUUFEL-CALCHBBNSA-N 2 1 379.549 0.201 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1CC ZINC000423266314 1194743122 /nfs/dbraw/zinc/74/31/22/1194743122.db2.gz BOYHUWIYBYJFRL-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@@H]1CC ZINC000423266314 1194743124 /nfs/dbraw/zinc/74/31/24/1194743124.db2.gz BOYHUWIYBYJFRL-SFHVURJKSA-N 2 1 394.560 0.938 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000423258758 1194744435 /nfs/dbraw/zinc/74/44/35/1194744435.db2.gz CGDVIJOCWXOWHR-LJQANCHMSA-N 2 1 387.528 0.083 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423383554 1194752322 /nfs/dbraw/zinc/75/23/22/1194752322.db2.gz PKHLZQYZORGEHS-KSZLIROESA-N 2 1 376.476 0.877 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423383554 1194752324 /nfs/dbraw/zinc/75/23/24/1194752324.db2.gz PKHLZQYZORGEHS-KSZLIROESA-N 2 1 376.476 0.877 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423382285 1194752470 /nfs/dbraw/zinc/75/24/70/1194752470.db2.gz OFHMPWIDJRIGQP-JQHSSLGASA-N 2 1 376.476 0.877 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423382285 1194752474 /nfs/dbraw/zinc/75/24/74/1194752474.db2.gz OFHMPWIDJRIGQP-JQHSSLGASA-N 2 1 376.476 0.877 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423386046 1194752807 /nfs/dbraw/zinc/75/28/07/1194752807.db2.gz LVJBLBMPVCRSLB-QFIPXVFZSA-N 2 1 399.539 0.479 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC[N@@H+]1C ZINC000423391982 1194753148 /nfs/dbraw/zinc/75/31/48/1194753148.db2.gz XFRINMSYLYNBDC-BZSNNMDCSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC[N@H+]1C ZINC000423391982 1194753151 /nfs/dbraw/zinc/75/31/51/1194753151.db2.gz XFRINMSYLYNBDC-BZSNNMDCSA-N 2 1 380.533 0.530 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423404906 1194754838 /nfs/dbraw/zinc/75/48/38/1194754838.db2.gz XXCKGUQRHPBKCN-MOPGFXCFSA-N 2 1 399.539 0.335 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000423442223 1194755427 /nfs/dbraw/zinc/75/54/27/1194755427.db2.gz JQRJNZVHJFDFEQ-UHFFFAOYSA-N 2 1 394.560 0.795 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000423443871 1194755761 /nfs/dbraw/zinc/75/57/61/1194755761.db2.gz KWKARJAKZALXAC-MOPGFXCFSA-N 2 1 394.560 0.651 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000423443977 1194755884 /nfs/dbraw/zinc/75/58/84/1194755884.db2.gz LELFZPVKNDPGCH-MOPGFXCFSA-N 2 1 394.560 0.794 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCO1 ZINC000423465820 1194758242 /nfs/dbraw/zinc/75/82/42/1194758242.db2.gz CRBGTGSCCCYRGQ-CEXWTWQISA-N 2 1 386.496 0.153 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497991 1194759654 /nfs/dbraw/zinc/75/96/54/1194759654.db2.gz AUWRMCGUFMPEKK-NJAFHUGGSA-N 2 1 379.549 0.342 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497993 1194759723 /nfs/dbraw/zinc/75/97/23/1194759723.db2.gz AUWRMCGUFMPEKK-RYQLBKOJSA-N 2 1 379.549 0.342 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497989 1194759786 /nfs/dbraw/zinc/75/97/86/1194759786.db2.gz AUWRMCGUFMPEKK-JQHSSLGASA-N 2 1 379.549 0.342 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423528516 1194760985 /nfs/dbraw/zinc/76/09/85/1194760985.db2.gz NKDDLLNERRLJBB-MOPGFXCFSA-N 2 1 395.592 0.850 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423511507 1194761857 /nfs/dbraw/zinc/76/18/57/1194761857.db2.gz TYXUIKWRLNFSRM-NTDBWNAOSA-N 2 1 394.560 0.920 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@@H+]1CCOC ZINC000423519185 1194762741 /nfs/dbraw/zinc/76/27/41/1194762741.db2.gz DAIJFGLHPQUDEP-MLHJIOFPSA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[N@H+]1CCOC ZINC000423519185 1194762744 /nfs/dbraw/zinc/76/27/44/1194762744.db2.gz DAIJFGLHPQUDEP-MLHJIOFPSA-N 2 1 380.533 0.532 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@@H+]1CCOC ZINC000423523850 1194763118 /nfs/dbraw/zinc/76/31/18/1194763118.db2.gz IVHFCVIBXCWWGB-QGZVFWFLSA-N 2 1 398.548 0.302 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(OCCC[NH3+])CC2)CC[N@H+]1CCOC ZINC000423523850 1194763120 /nfs/dbraw/zinc/76/31/20/1194763120.db2.gz IVHFCVIBXCWWGB-QGZVFWFLSA-N 2 1 398.548 0.302 20 0 GCADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423559407 1194763588 /nfs/dbraw/zinc/76/35/88/1194763588.db2.gz DTXABFXRXBZRAH-RTWAWAEBSA-N 2 1 388.512 0.279 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H](C)[NH2+]1 ZINC000423576050 1194769115 /nfs/dbraw/zinc/76/91/15/1194769115.db2.gz XGDJXIWFMHGGPA-FVJLSDCUSA-N 2 1 388.512 0.291 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423579296 1194770070 /nfs/dbraw/zinc/77/00/70/1194770070.db2.gz NWSVMKVISQKDGP-DOTOQJQBSA-N 2 1 390.532 0.472 20 0 GCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423604334 1194772514 /nfs/dbraw/zinc/77/25/14/1194772514.db2.gz IBMUFLNMZHYIBS-SFHVURJKSA-N 2 1 387.528 0.083 20 0 GCADMP CCO[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000983227546 1194774365 /nfs/dbraw/zinc/77/43/65/1194774365.db2.gz MZYBKIAIDTZVJN-KLHDSHLOSA-N 2 1 377.489 0.272 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000423595506 1194774914 /nfs/dbraw/zinc/77/49/14/1194774914.db2.gz PZCPHEZOMQTOMB-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP [NH3+]C1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000423638307 1194776487 /nfs/dbraw/zinc/77/64/87/1194776487.db2.gz IMJKKSAZXZYXEU-HXUWFJFHSA-N 2 1 399.539 0.355 20 0 GCADMP [NH3+]C1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000423638306 1194776684 /nfs/dbraw/zinc/77/66/84/1194776684.db2.gz IMJKKSAZXZYXEU-FQEVSTJZSA-N 2 1 399.539 0.355 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000423646976 1194777644 /nfs/dbraw/zinc/77/76/44/1194777644.db2.gz MNJMKFBVNLUTNG-JZXOWHBKSA-N 2 1 380.533 0.674 20 0 GCADMP [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423625330 1194778313 /nfs/dbraw/zinc/77/83/13/1194778313.db2.gz QZQXHBAPKBNLGC-AWEZNQCLSA-N 2 1 394.438 0.439 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423672756 1194779937 /nfs/dbraw/zinc/77/99/37/1194779937.db2.gz OMLKUWACOFVJSC-UHFFFAOYSA-N 2 1 390.528 0.669 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659184 1194780618 /nfs/dbraw/zinc/78/06/18/1194780618.db2.gz YYDSWOAAMUODSJ-FUHWJXTLSA-N 2 1 382.549 0.779 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)[C@@H](C[NH3+])C1 ZINC000423684926 1194785794 /nfs/dbraw/zinc/78/57/94/1194785794.db2.gz XZJQAWJUHGIGND-HZPDHXFCSA-N 2 1 375.473 0.003 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423685835 1194785956 /nfs/dbraw/zinc/78/59/56/1194785956.db2.gz VJJJRAQQBIQHON-IRXDYDNUSA-N 2 1 395.548 0.165 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423685827 1194786105 /nfs/dbraw/zinc/78/61/05/1194786105.db2.gz VJJJRAQQBIQHON-DLBZAZTESA-N 2 1 395.548 0.165 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000504357535 1194788835 /nfs/dbraw/zinc/78/88/35/1194788835.db2.gz KVHXCGMQWVRFPH-MSOLQXFVSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)CC1 ZINC000504357535 1194788838 /nfs/dbraw/zinc/78/88/38/1194788838.db2.gz KVHXCGMQWVRFPH-MSOLQXFVSA-N 2 1 377.533 0.809 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000423741930 1194790762 /nfs/dbraw/zinc/79/07/62/1194790762.db2.gz YROCYOJFJAQHAE-WTGUMLROSA-N 2 1 382.508 0.787 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423742815 1194791076 /nfs/dbraw/zinc/79/10/76/1194791076.db2.gz ZMYPAILBMIZYHE-MJGOQNOKSA-N 2 1 385.512 0.087 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)S(C)(=O)=O ZINC000424292124 1194807504 /nfs/dbraw/zinc/80/75/04/1194807504.db2.gz OCHIUOFQUVDAFY-INIZCTEOSA-N 2 1 388.578 0.627 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000424440596 1194811383 /nfs/dbraw/zinc/81/13/83/1194811383.db2.gz RAFMSCHGECMPTJ-GOSISDBHSA-N 2 1 375.517 0.780 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000424465401 1194813663 /nfs/dbraw/zinc/81/36/63/1194813663.db2.gz RSGMWFZVLUHZGW-KANFNMMFSA-N 2 1 392.548 0.993 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652730012 1194814481 /nfs/dbraw/zinc/81/44/81/1194814481.db2.gz DTIVSJQGPNYRBS-ZRSRNVLSSA-N 2 1 392.544 0.674 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1CC ZINC000424491692 1194816599 /nfs/dbraw/zinc/81/65/99/1194816599.db2.gz FFEQJPOYPLTQSA-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@H]1CC ZINC000424491692 1194816601 /nfs/dbraw/zinc/81/66/01/1194816601.db2.gz FFEQJPOYPLTQSA-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424492343 1194817031 /nfs/dbraw/zinc/81/70/31/1194817031.db2.gz HVYSGLYVYYTWDH-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424492343 1194817033 /nfs/dbraw/zinc/81/70/33/1194817033.db2.gz HVYSGLYVYYTWDH-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000424494913 1194817182 /nfs/dbraw/zinc/81/71/82/1194817182.db2.gz ORHBDZAXXDUGHA-IRXDYDNUSA-N 2 1 380.533 0.404 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+]3CCO[C@@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494708 1194817186 /nfs/dbraw/zinc/81/71/86/1194817186.db2.gz OGAVYYASMCBPRK-SJORKVTESA-N 2 1 392.544 0.689 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+]3CCO[C@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494701 1194817258 /nfs/dbraw/zinc/81/72/58/1194817258.db2.gz OGAVYYASMCBPRK-DLBZAZTESA-N 2 1 392.544 0.689 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1[NH+]1CCOCC1 ZINC000664448846 1194871079 /nfs/dbraw/zinc/87/10/79/1194871079.db2.gz UBZUWYXGAKYGDY-IRXDYDNUSA-N 2 1 383.537 0.291 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000514659001 1194891538 /nfs/dbraw/zinc/89/15/38/1194891538.db2.gz UUZADXBGMKXAAT-QZTJIDSGSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000514659001 1194891540 /nfs/dbraw/zinc/89/15/40/1194891540.db2.gz UUZADXBGMKXAAT-QZTJIDSGSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000514659003 1194891645 /nfs/dbraw/zinc/89/16/45/1194891645.db2.gz UUZADXBGMKXAAT-ZWKOTPCHSA-N 2 1 394.560 0.767 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000514659003 1194891648 /nfs/dbraw/zinc/89/16/48/1194891648.db2.gz UUZADXBGMKXAAT-ZWKOTPCHSA-N 2 1 394.560 0.767 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667621 1194893122 /nfs/dbraw/zinc/89/31/22/1194893122.db2.gz CGFLZPYHTYLASV-WCIQWLHISA-N 2 1 382.508 0.645 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000514726103 1194898705 /nfs/dbraw/zinc/89/87/05/1194898705.db2.gz VFIYDAPBLZBJHX-SJLPKXTDSA-N 2 1 397.483 0.732 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000514726103 1194898712 /nfs/dbraw/zinc/89/87/12/1194898712.db2.gz VFIYDAPBLZBJHX-SJLPKXTDSA-N 2 1 397.483 0.732 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000514753010 1194903951 /nfs/dbraw/zinc/90/39/51/1194903951.db2.gz UWYLXOLZEXLTFB-HDICACEKSA-N 2 1 398.548 0.221 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000514753010 1194903953 /nfs/dbraw/zinc/90/39/53/1194903953.db2.gz UWYLXOLZEXLTFB-HDICACEKSA-N 2 1 398.548 0.221 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000514753010 1194903956 /nfs/dbraw/zinc/90/39/56/1194903956.db2.gz UWYLXOLZEXLTFB-HDICACEKSA-N 2 1 398.548 0.221 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000425380089 1194932460 /nfs/dbraw/zinc/93/24/60/1194932460.db2.gz DWRFHOOKVOZHDJ-UHFFFAOYSA-N 2 1 398.548 0.125 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425385816 1194936373 /nfs/dbraw/zinc/93/63/73/1194936373.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425385816 1194936375 /nfs/dbraw/zinc/93/63/75/1194936375.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425385816 1194936377 /nfs/dbraw/zinc/93/63/77/1194936377.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425385816 1194936378 /nfs/dbraw/zinc/93/63/78/1194936378.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425385816 1194936380 /nfs/dbraw/zinc/93/63/80/1194936380.db2.gz LDXXAZGTMOCCDO-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP COc1cc(C[NH+]2CC[C@H](CO)[C@H](O)C2)cc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000514988574 1194937400 /nfs/dbraw/zinc/93/74/00/1194937400.db2.gz BFUITVAIQWISEN-VURPSTOHSA-N 2 1 394.512 0.045 20 0 GCADMP O=C(NCC(=O)N1CC[NH2+]CC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000515404987 1194972878 /nfs/dbraw/zinc/97/28/78/1194972878.db2.gz PTTCAVSLULLWLM-UHFFFAOYSA-N 2 1 377.514 0.789 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000515406368 1194973043 /nfs/dbraw/zinc/97/30/43/1194973043.db2.gz QPEPWEHRRJNWEF-OAGGEKHMSA-N 2 1 393.557 0.410 20 0 GCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC1 ZINC000285161967 1194977033 /nfs/dbraw/zinc/97/70/33/1194977033.db2.gz ZNWPUYKYICLENK-SFHVURJKSA-N 2 1 390.553 0.931 20 0 GCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC1 ZINC000285161967 1194977036 /nfs/dbraw/zinc/97/70/36/1194977036.db2.gz ZNWPUYKYICLENK-SFHVURJKSA-N 2 1 390.553 0.931 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000436144914 1194987615 /nfs/dbraw/zinc/98/76/15/1194987615.db2.gz RJTJEHIZEMEFCF-INIZCTEOSA-N 2 1 397.564 0.416 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000505774090 1194990658 /nfs/dbraw/zinc/99/06/58/1194990658.db2.gz VBVGJUSZBRSMKZ-MSOLQXFVSA-N 2 1 392.548 0.777 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000436256427 1194993763 /nfs/dbraw/zinc/99/37/63/1194993763.db2.gz BNDTWGFGRWORGH-HZPDHXFCSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000436261527 1194994140 /nfs/dbraw/zinc/99/41/40/1194994140.db2.gz PCBLGQJBEVXXBM-JKSUJKDBSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261527 1194994143 /nfs/dbraw/zinc/99/41/43/1194994143.db2.gz PCBLGQJBEVXXBM-JKSUJKDBSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261527 1194994144 /nfs/dbraw/zinc/99/41/44/1194994144.db2.gz PCBLGQJBEVXXBM-JKSUJKDBSA-N 2 1 383.537 0.060 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCOC4(CC[NH+](C)CC4)C3)C2)CC1 ZINC000645295629 1194994157 /nfs/dbraw/zinc/99/41/57/1194994157.db2.gz YRUXUBOGOLILBI-QGZVFWFLSA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCOC4(CC[NH+](C)CC4)C3)C2)CC1 ZINC000645295629 1194994158 /nfs/dbraw/zinc/99/41/58/1194994158.db2.gz YRUXUBOGOLILBI-QGZVFWFLSA-N 2 1 379.549 0.661 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)CN2CCOCC2)C1 ZINC000516078375 1195020055 /nfs/dbraw/zinc/02/00/55/1195020055.db2.gz HXGOCFRFEHZEIP-QZTJIDSGSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000516078375 1195020058 /nfs/dbraw/zinc/02/00/58/1195020058.db2.gz HXGOCFRFEHZEIP-QZTJIDSGSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000516078375 1195020062 /nfs/dbraw/zinc/02/00/62/1195020062.db2.gz HXGOCFRFEHZEIP-QZTJIDSGSA-N 2 1 382.549 0.555 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(-n3cnnn3)cc2)CC1 ZINC000516207749 1195033449 /nfs/dbraw/zinc/03/34/49/1195033449.db2.gz TVVSTYBSCXXFCQ-UHFFFAOYSA-N 2 1 378.440 0.990 20 0 GCADMP Cc1ccc(NC(=O)CN(C)CCC[N@H+](C)CCN(C)C)cc1S(N)(=O)=O ZINC000288782164 1195074275 /nfs/dbraw/zinc/07/42/75/1195074275.db2.gz BUPGVVMFOJXXJC-UHFFFAOYSA-N 2 1 399.561 0.396 20 0 GCADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000288782164 1195074282 /nfs/dbraw/zinc/07/42/82/1195074282.db2.gz BUPGVVMFOJXXJC-UHFFFAOYSA-N 2 1 399.561 0.396 20 0 GCADMP Cc1ccc(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1S(N)(=O)=O ZINC000288782164 1195074286 /nfs/dbraw/zinc/07/42/86/1195074286.db2.gz BUPGVVMFOJXXJC-UHFFFAOYSA-N 2 1 399.561 0.396 20 0 GCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000437130375 1195075025 /nfs/dbraw/zinc/07/50/25/1195075025.db2.gz YRVRORHEBZTTFS-MSOLQXFVSA-N 2 1 380.533 0.500 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000437130375 1195075028 /nfs/dbraw/zinc/07/50/28/1195075028.db2.gz YRVRORHEBZTTFS-MSOLQXFVSA-N 2 1 380.533 0.500 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000516917242 1195112277 /nfs/dbraw/zinc/11/22/77/1195112277.db2.gz QYJIUAWLXCMMPJ-VQIMIIECSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC1CC[NH2+]CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000516917242 1195112279 /nfs/dbraw/zinc/11/22/79/1195112279.db2.gz QYJIUAWLXCMMPJ-VQIMIIECSA-N 2 1 388.512 0.508 20 0 GCADMP C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000549991859 1195115591 /nfs/dbraw/zinc/11/55/91/1195115591.db2.gz WKWVRPXWSKYSJC-LJQANCHMSA-N 2 1 388.512 0.604 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000516961013 1195117968 /nfs/dbraw/zinc/11/79/68/1195117968.db2.gz LOKMETHKEKTNEQ-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000517031737 1195126709 /nfs/dbraw/zinc/12/67/09/1195126709.db2.gz YIGVQBWEXLONJY-OAHLLOKOSA-N 2 1 398.504 0.329 20 0 GCADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000517031737 1195126711 /nfs/dbraw/zinc/12/67/11/1195126711.db2.gz YIGVQBWEXLONJY-OAHLLOKOSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1=CC[N@H+](C)CC1 ZINC000517043976 1195128752 /nfs/dbraw/zinc/12/87/52/1195128752.db2.gz FCJHRBGQIALBHI-KRWDZBQOSA-N 2 1 392.544 0.904 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000517043976 1195128755 /nfs/dbraw/zinc/12/87/55/1195128755.db2.gz FCJHRBGQIALBHI-KRWDZBQOSA-N 2 1 392.544 0.904 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000425864570 1195140769 /nfs/dbraw/zinc/14/07/69/1195140769.db2.gz BRVZBZYDGLWURE-UHFFFAOYSA-N 2 1 390.528 0.934 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000425864841 1195140923 /nfs/dbraw/zinc/14/09/23/1195140923.db2.gz CEEHLIUVKCXNFW-UHFFFAOYSA-N 2 1 382.549 0.935 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000549994858 1195142861 /nfs/dbraw/zinc/14/28/61/1195142861.db2.gz RLIMYSCFVUKNCQ-JKSUJKDBSA-N 2 1 396.557 0.940 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000425889844 1195150201 /nfs/dbraw/zinc/15/02/01/1195150201.db2.gz MWCAOIAVBOOFFV-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000425885607 1195151517 /nfs/dbraw/zinc/15/15/17/1195151517.db2.gz PCGCOJPEIZOHPX-IAGOWNOFSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000425885607 1195151519 /nfs/dbraw/zinc/15/15/19/1195151519.db2.gz PCGCOJPEIZOHPX-IAGOWNOFSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000517203250 1195155210 /nfs/dbraw/zinc/15/52/10/1195155210.db2.gz NAVWPNNGFVCNHP-MRXNPFEDSA-N 2 1 378.517 0.324 20 0 GCADMP COCC(C)(C)N1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000425911023 1195165465 /nfs/dbraw/zinc/16/54/65/1195165465.db2.gz ZUGQJGSNEHONOG-QGZVFWFLSA-N 2 1 380.533 0.689 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000517405161 1195179534 /nfs/dbraw/zinc/17/95/34/1195179534.db2.gz CAZMNMGNTADXIT-KRWDZBQOSA-N 2 1 381.521 0.080 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000664672823 1195183250 /nfs/dbraw/zinc/18/32/50/1195183250.db2.gz DIKOAAZXPXEKKU-MRXNPFEDSA-N 2 1 376.505 0.621 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000517539493 1195188997 /nfs/dbraw/zinc/18/89/97/1195188997.db2.gz HGENZKHLQDHOLL-ROUUACIJSA-N 2 1 377.558 0.807 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000517539493 1195189001 /nfs/dbraw/zinc/18/90/01/1195189001.db2.gz HGENZKHLQDHOLL-ROUUACIJSA-N 2 1 377.558 0.807 20 0 GCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000517903260 1195228081 /nfs/dbraw/zinc/22/80/81/1195228081.db2.gz YSANURNXWSHHPJ-MSOLQXFVSA-N 2 1 390.553 0.918 20 0 GCADMP [NH3+]C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000517903260 1195228086 /nfs/dbraw/zinc/22/80/86/1195228086.db2.gz YSANURNXWSHHPJ-MSOLQXFVSA-N 2 1 390.553 0.918 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000517903236 1195228125 /nfs/dbraw/zinc/22/81/25/1195228125.db2.gz VHTVNZBSLQRJML-CAMMJAKZSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000517903236 1195228127 /nfs/dbraw/zinc/22/81/27/1195228127.db2.gz VHTVNZBSLQRJML-CAMMJAKZSA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000517936827 1195230599 /nfs/dbraw/zinc/23/05/99/1195230599.db2.gz ZOIWIGCGCBDECU-ULQDDVLXSA-N 2 1 375.517 0.555 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)Cc2ccccc2C1 ZINC000506441174 1195269786 /nfs/dbraw/zinc/26/97/86/1195269786.db2.gz WZNYJPGEVISCRR-UHFFFAOYSA-N 2 1 384.524 0.899 20 0 GCADMP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000518261494 1195272896 /nfs/dbraw/zinc/27/28/96/1195272896.db2.gz MMRKMLVQZZIDFW-CEXWTWQISA-N 2 1 395.592 0.850 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)c(=O)n(C)c1 ZINC000439209400 1195294687 /nfs/dbraw/zinc/29/46/87/1195294687.db2.gz JTIOOFFSNAKQKE-QGZVFWFLSA-N 2 1 391.516 0.507 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1O ZINC000664750027 1195316455 /nfs/dbraw/zinc/31/64/55/1195316455.db2.gz QARJFRZQJBLMAR-FHWLQOOXSA-N 2 1 376.501 0.594 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000518738547 1195325090 /nfs/dbraw/zinc/32/50/90/1195325090.db2.gz XQRYXASVQRVSGC-ZWKOTPCHSA-N 2 1 381.565 0.221 20 0 GCADMP C[NH+]1CCN(c2ncccc2CNC(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000297421619 1195337901 /nfs/dbraw/zinc/33/79/01/1195337901.db2.gz ZBAMWMMRAHELIT-SFHVURJKSA-N 2 1 390.532 0.479 20 0 GCADMP O=S(=O)(c1ccc2c(c1)OCCO2)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000518947277 1195350962 /nfs/dbraw/zinc/35/09/62/1195350962.db2.gz WUJMDHOZSNFKGQ-HNNXBMFYSA-N 2 1 381.498 0.764 20 0 GCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cn1 ZINC000439969095 1195370427 /nfs/dbraw/zinc/37/04/27/1195370427.db2.gz HGWODBOTZCFSQV-QGZVFWFLSA-N 2 1 376.505 0.906 20 0 GCADMP [NH3+]Cc1cn([C@H]2CCCN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)C2)nn1 ZINC000519153381 1195373840 /nfs/dbraw/zinc/37/38/40/1195373840.db2.gz RVILGXXDUPLBHB-FQEVSTJZSA-N 2 1 397.527 0.718 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000415009882 1195394881 /nfs/dbraw/zinc/39/48/81/1195394881.db2.gz ONEQUVYOKVDIJQ-OALUTQOASA-N 2 1 382.464 0.835 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000519529846 1195427038 /nfs/dbraw/zinc/42/70/38/1195427038.db2.gz XCDHFXXOZFLGQG-GOSISDBHSA-N 2 1 382.549 0.938 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000519529846 1195427042 /nfs/dbraw/zinc/42/70/42/1195427042.db2.gz XCDHFXXOZFLGQG-GOSISDBHSA-N 2 1 382.549 0.938 20 0 GCADMP Cc1cc(N2CCC(NC(=O)c3cn(C[C@H]4CCC[NH2+]4)nn3)CC2)nc(C)[nH+]1 ZINC000519542663 1195427969 /nfs/dbraw/zinc/42/79/69/1195427969.db2.gz IPPNFFKVMJENMT-MRXNPFEDSA-N 2 1 384.488 0.836 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000550093709 1195433557 /nfs/dbraw/zinc/43/35/57/1195433557.db2.gz IOVJUIXOBDZZSD-IBGZPJMESA-N 2 1 390.528 0.837 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000550096652 1195434176 /nfs/dbraw/zinc/43/41/76/1195434176.db2.gz KWYOCXNHSOYVLL-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2Cn2ccnc2)C1 ZINC000550096142 1195435269 /nfs/dbraw/zinc/43/52/69/1195435269.db2.gz VCDWZOFZLYGICB-SJORKVTESA-N 2 1 377.489 0.347 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550095286 1195435811 /nfs/dbraw/zinc/43/58/11/1195435811.db2.gz GCTAMXYCZXPQGI-ZWKOTPCHSA-N 2 1 382.549 0.650 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000550136839 1195446730 /nfs/dbraw/zinc/44/67/30/1195446730.db2.gz REFDKOYWAHEGBN-UHFFFAOYSA-N 2 1 382.549 0.530 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000550178299 1195454298 /nfs/dbraw/zinc/45/42/98/1195454298.db2.gz DLODJIPRQOLZFM-KURKYZTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000550178299 1195454300 /nfs/dbraw/zinc/45/43/00/1195454300.db2.gz DLODJIPRQOLZFM-KURKYZTESA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000550178299 1195454303 /nfs/dbraw/zinc/45/43/03/1195454303.db2.gz DLODJIPRQOLZFM-KURKYZTESA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000550206843 1195461690 /nfs/dbraw/zinc/46/16/90/1195461690.db2.gz MNIHAYWWZCBFDF-OAGGEKHMSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000550206843 1195461693 /nfs/dbraw/zinc/46/16/93/1195461693.db2.gz MNIHAYWWZCBFDF-OAGGEKHMSA-N 2 1 380.533 0.591 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000102049788 1195468452 /nfs/dbraw/zinc/46/84/52/1195468452.db2.gz JRIOSNPRXNVSJI-GOSISDBHSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000102049788 1195468455 /nfs/dbraw/zinc/46/84/55/1195468455.db2.gz JRIOSNPRXNVSJI-GOSISDBHSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000102049788 1195468458 /nfs/dbraw/zinc/46/84/58/1195468458.db2.gz JRIOSNPRXNVSJI-GOSISDBHSA-N 2 1 396.580 0.254 20 0 GCADMP Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cn1 ZINC000519615592 1195543546 /nfs/dbraw/zinc/54/35/46/1195543546.db2.gz QVGWHMHCQYYYER-ANULTFPQSA-N 2 1 397.523 0.769 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427544928 1195549178 /nfs/dbraw/zinc/54/91/78/1195549178.db2.gz DKXNIJZFFYJRMM-RDJZCZTQSA-N 2 1 390.532 1.420 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(CNC(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000333909396 1195550822 /nfs/dbraw/zinc/55/08/22/1195550822.db2.gz KVOWWVNLQAXPSC-NRFANRHFSA-N 2 1 385.512 0.969 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000427549857 1195555705 /nfs/dbraw/zinc/55/57/05/1195555705.db2.gz MUOKOPKBETUZOJ-MRXNPFEDSA-N 2 1 390.532 1.182 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000519667674 1195562919 /nfs/dbraw/zinc/56/29/19/1195562919.db2.gz POCJAKTXVAHUEK-NVXWUHKLSA-N 2 1 380.533 0.733 20 0 GCADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1S(N)(=O)=O ZINC000519712204 1195566980 /nfs/dbraw/zinc/56/69/80/1195566980.db2.gz ZJMLASRMOMUGLU-OAGGEKHMSA-N 2 1 383.514 0.632 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c2cccs2)CC1 ZINC000519754117 1195569443 /nfs/dbraw/zinc/56/94/43/1195569443.db2.gz BLHBQDNAJCMBGJ-ARFHVFGLSA-N 2 1 393.557 0.396 20 0 GCADMP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440987069 1195596412 /nfs/dbraw/zinc/59/64/12/1195596412.db2.gz VZWPQXNQNLFKGR-SFHVURJKSA-N 2 1 382.597 0.585 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440987069 1195596415 /nfs/dbraw/zinc/59/64/15/1195596415.db2.gz VZWPQXNQNLFKGR-SFHVURJKSA-N 2 1 382.597 0.585 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440987069 1195596416 /nfs/dbraw/zinc/59/64/16/1195596416.db2.gz VZWPQXNQNLFKGR-SFHVURJKSA-N 2 1 382.597 0.585 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285073 1195616218 /nfs/dbraw/zinc/61/62/18/1195616218.db2.gz KSRJDWLWDJOTJF-QFBILLFUSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000520335135 1195622084 /nfs/dbraw/zinc/62/20/84/1195622084.db2.gz DYPXYVLFBIXQCB-QYZOEREBSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000520335135 1195622085 /nfs/dbraw/zinc/62/20/85/1195622085.db2.gz DYPXYVLFBIXQCB-QYZOEREBSA-N 2 1 394.560 0.936 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C[C@@H](C)O ZINC000520359138 1195626495 /nfs/dbraw/zinc/62/64/95/1195626495.db2.gz PHEARYPMVDLGIX-HLIPFELVSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C[C@@H](C)O ZINC000520359138 1195626498 /nfs/dbraw/zinc/62/64/98/1195626498.db2.gz PHEARYPMVDLGIX-HLIPFELVSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C[C@@H](C)O ZINC000520359138 1195626499 /nfs/dbraw/zinc/62/64/99/1195626499.db2.gz PHEARYPMVDLGIX-HLIPFELVSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C[C@@H](C)O ZINC000520359138 1195626501 /nfs/dbraw/zinc/62/65/01/1195626501.db2.gz PHEARYPMVDLGIX-HLIPFELVSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@@H+]1C[C@H](C)O ZINC000520359140 1195626568 /nfs/dbraw/zinc/62/65/68/1195626568.db2.gz PHEARYPMVDLGIX-QKLQHJQFSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)CC[N@H+]1C[C@H](C)O ZINC000520359140 1195626570 /nfs/dbraw/zinc/62/65/70/1195626570.db2.gz PHEARYPMVDLGIX-QKLQHJQFSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000520359140 1195626572 /nfs/dbraw/zinc/62/65/72/1195626572.db2.gz PHEARYPMVDLGIX-QKLQHJQFSA-N 2 1 380.533 0.234 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC[NH+]1C[C@H](C)O ZINC000520359140 1195626574 /nfs/dbraw/zinc/62/65/74/1195626574.db2.gz PHEARYPMVDLGIX-QKLQHJQFSA-N 2 1 380.533 0.234 20 0 GCADMP C[C@@H]1CCN(C)CCN1C(=O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000550342393 1195636675 /nfs/dbraw/zinc/63/66/75/1195636675.db2.gz FEFSCDSFGJQRPZ-QGZVFWFLSA-N 2 1 380.533 0.690 20 0 GCADMP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC000550350997 1195640213 /nfs/dbraw/zinc/64/02/13/1195640213.db2.gz ZMISMLTURKZXSQ-KRWDZBQOSA-N 2 1 382.549 0.933 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000550383411 1195651701 /nfs/dbraw/zinc/65/17/01/1195651701.db2.gz JBVYBVAZVBJIGM-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978451 1195658429 /nfs/dbraw/zinc/65/84/29/1195658429.db2.gz SEZXLXCRJUJNHK-ZWKOTPCHSA-N 2 1 388.512 0.879 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000520437045 1195675627 /nfs/dbraw/zinc/67/56/27/1195675627.db2.gz OUXKFNRFDUZYDX-HNNXBMFYSA-N 2 1 397.564 0.186 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000188945986 1195741460 /nfs/dbraw/zinc/74/14/60/1195741460.db2.gz NMBKWBQJPBIQHP-QZTJIDSGSA-N 2 1 383.581 0.747 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520551144 1195784823 /nfs/dbraw/zinc/78/48/23/1195784823.db2.gz NZJHEVMVWYEPLX-WDSOQIARSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520551144 1195784829 /nfs/dbraw/zinc/78/48/29/1195784829.db2.gz NZJHEVMVWYEPLX-WDSOQIARSA-N 2 1 388.512 0.732 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000520590066 1195793449 /nfs/dbraw/zinc/79/34/49/1195793449.db2.gz RAJYFCZJLGIZTA-PMACEKPBSA-N 2 1 376.545 0.793 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000520590066 1195793453 /nfs/dbraw/zinc/79/34/53/1195793453.db2.gz RAJYFCZJLGIZTA-PMACEKPBSA-N 2 1 376.545 0.793 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000474008108 1195827478 /nfs/dbraw/zinc/82/74/78/1195827478.db2.gz JYPATNUBRUFEFX-KRWDZBQOSA-N 2 1 397.564 0.464 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771814 1195852499 /nfs/dbraw/zinc/85/24/99/1195852499.db2.gz BSONHHSLKYSYML-RBUKOAKNSA-N 2 1 385.512 0.821 20 0 GCADMP Cn1nccc1[C@H]1[C@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CCC[N@H+]1C1CC1 ZINC000665216427 1195853544 /nfs/dbraw/zinc/85/35/44/1195853544.db2.gz BMJPCYVJEYDNFJ-UDTPNQRGSA-N 2 1 390.532 0.652 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000474020904 1195874099 /nfs/dbraw/zinc/87/40/99/1195874099.db2.gz LRUHQIDQGQWAPY-SFHVURJKSA-N 2 1 383.581 0.795 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[N@@H+](C)[C@H]3C)O2)CCC[NH+]1C ZINC000427898324 1195890703 /nfs/dbraw/zinc/89/07/03/1195890703.db2.gz AIFALPJLVKMJNA-PTZATXGZSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[NH+](C)[C@H]3C)O2)CCC[N@@H+]1C ZINC000427898324 1195890709 /nfs/dbraw/zinc/89/07/09/1195890709.db2.gz AIFALPJLVKMJNA-PTZATXGZSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[C@H](C(=O)N[C@H]3CCC[NH+](C)[C@H]3C)O2)CCC[N@H+]1C ZINC000427898324 1195890714 /nfs/dbraw/zinc/89/07/14/1195890714.db2.gz AIFALPJLVKMJNA-PTZATXGZSA-N 2 1 380.533 0.732 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[N@H+]1C ZINC001075809061 1195928459 /nfs/dbraw/zinc/92/84/59/1195928459.db2.gz QFDXRFAZSYWCRP-YALNPMBYSA-N 2 1 384.484 0.396 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[NH+]1C ZINC001075809061 1195928460 /nfs/dbraw/zinc/92/84/60/1195928460.db2.gz QFDXRFAZSYWCRP-YALNPMBYSA-N 2 1 384.484 0.396 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](Cc4cc(=O)n5nccc5[nH]4)C[C@H]32)CC[NH+]1C ZINC001075809061 1195928462 /nfs/dbraw/zinc/92/84/62/1195928462.db2.gz QFDXRFAZSYWCRP-YALNPMBYSA-N 2 1 384.484 0.396 20 0 GCADMP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000441970571 1195936963 /nfs/dbraw/zinc/93/69/63/1195936963.db2.gz ARUMSZQZSVKVJN-MRXNPFEDSA-N 2 1 389.500 0.390 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000442167147 1195959350 /nfs/dbraw/zinc/95/93/50/1195959350.db2.gz XSQCHJABIWOGPX-VQIMIIECSA-N 2 1 387.528 0.971 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000550455605 1195965314 /nfs/dbraw/zinc/96/53/14/1195965314.db2.gz ASXGPYGAANSZHI-RCCFBDPRSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000550455605 1195965316 /nfs/dbraw/zinc/96/53/16/1195965316.db2.gz ASXGPYGAANSZHI-RCCFBDPRSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000550455605 1195965317 /nfs/dbraw/zinc/96/53/17/1195965317.db2.gz ASXGPYGAANSZHI-RCCFBDPRSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000550455718 1195965940 /nfs/dbraw/zinc/96/59/40/1195965940.db2.gz CFQKZGANIGAMBG-QZTJIDSGSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550455718 1195965941 /nfs/dbraw/zinc/96/59/41/1195965941.db2.gz CFQKZGANIGAMBG-QZTJIDSGSA-N 2 1 382.549 0.554 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550455718 1195965945 /nfs/dbraw/zinc/96/59/45/1195965945.db2.gz CFQKZGANIGAMBG-QZTJIDSGSA-N 2 1 382.549 0.554 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000521233331 1195981021 /nfs/dbraw/zinc/98/10/21/1195981021.db2.gz FVBAYFLFUOSQRH-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000550458901 1195985923 /nfs/dbraw/zinc/98/59/23/1195985923.db2.gz YJODXYCPMVXHEB-ROUUACIJSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000550458901 1195985925 /nfs/dbraw/zinc/98/59/25/1195985925.db2.gz YJODXYCPMVXHEB-ROUUACIJSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000550458976 1195986591 /nfs/dbraw/zinc/98/65/91/1195986591.db2.gz UOGMGEKMASBELS-SJLPKXTDSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000550458976 1195986593 /nfs/dbraw/zinc/98/65/93/1195986593.db2.gz UOGMGEKMASBELS-SJLPKXTDSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000550458976 1195986596 /nfs/dbraw/zinc/98/65/96/1195986596.db2.gz UOGMGEKMASBELS-SJLPKXTDSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000550458804 1195988470 /nfs/dbraw/zinc/98/84/70/1195988470.db2.gz RWVXBEJNKNTCKZ-ROUUACIJSA-N 2 1 382.549 0.840 20 0 GCADMP CN(C)c1nc(N2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc[nH+]1 ZINC000521362420 1195991796 /nfs/dbraw/zinc/99/17/96/1195991796.db2.gz BIYGYRSRUSALRQ-GRYWWWGRSA-N 2 1 377.468 0.319 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000442620675 1195997017 /nfs/dbraw/zinc/99/70/17/1195997017.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 2 1 382.597 0.680 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442620675 1195997019 /nfs/dbraw/zinc/99/70/19/1195997019.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 2 1 382.597 0.680 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442620675 1195997021 /nfs/dbraw/zinc/99/70/21/1195997021.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 2 1 382.597 0.680 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442620675 1195997024 /nfs/dbraw/zinc/99/70/24/1195997024.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 3 1 382.597 0.680 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442620675 1195997027 /nfs/dbraw/zinc/99/70/27/1195997027.db2.gz JOVXFGKKAFMLAS-UHFFFAOYSA-N 3 1 382.597 0.680 20 0 GCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)C1 ZINC000443061733 1196017526 /nfs/dbraw/zinc/01/75/26/1196017526.db2.gz SLWNJUMFZJGCJF-SFHVURJKSA-N 2 1 388.512 0.836 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)CC1 ZINC000443059353 1196018435 /nfs/dbraw/zinc/01/84/35/1196018435.db2.gz MNNJHJIAZWEVJH-OAHLLOKOSA-N 2 1 386.504 0.073 20 0 GCADMP C[C@@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCC(C)CC1 ZINC000521964152 1196027895 /nfs/dbraw/zinc/02/78/95/1196027895.db2.gz VMAPISAYYIDPHI-RBUKOAKNSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C[NH+]1CCCCC1 ZINC000521960189 1196028730 /nfs/dbraw/zinc/02/87/30/1196028730.db2.gz JPKAWUDNXYHVPB-RTBURBONSA-N 2 1 394.560 0.938 20 0 GCADMP O=C(C[NH2+]C[C@@H]1CCCO1)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000522002477 1196034718 /nfs/dbraw/zinc/03/47/18/1196034718.db2.gz XFHSSZQLDUGHAD-IBGZPJMESA-N 2 1 376.501 0.901 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCN4C(=O)CCC4=O)C[C@H]32)CC[N@H+]1C ZINC001075813558 1196048244 /nfs/dbraw/zinc/04/82/44/1196048244.db2.gz MFLJYKRCGLNEKS-MWDXBVQZSA-N 2 1 376.501 0.398 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001075813558 1196048245 /nfs/dbraw/zinc/04/82/45/1196048245.db2.gz MFLJYKRCGLNEKS-MWDXBVQZSA-N 2 1 376.501 0.398 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CCN4C(=O)CCC4=O)C[C@H]32)CC[NH+]1C ZINC001075813558 1196048248 /nfs/dbraw/zinc/04/82/48/1196048248.db2.gz MFLJYKRCGLNEKS-MWDXBVQZSA-N 2 1 376.501 0.398 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC[NH+]1CCN1CCCS1(=O)=O ZINC001087577741 1196049248 /nfs/dbraw/zinc/04/92/48/1196049248.db2.gz GXDJJJMXGRCMCA-WCXIOVBPSA-N 2 1 386.562 0.331 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000550479372 1196051398 /nfs/dbraw/zinc/05/13/98/1196051398.db2.gz IGKWEQGBDCBUON-QGZVFWFLSA-N 2 1 395.592 0.755 20 0 GCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550479372 1196051402 /nfs/dbraw/zinc/05/14/02/1196051402.db2.gz IGKWEQGBDCBUON-QGZVFWFLSA-N 2 1 395.592 0.755 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C1 ZINC000550479372 1196051403 /nfs/dbraw/zinc/05/14/03/1196051403.db2.gz IGKWEQGBDCBUON-QGZVFWFLSA-N 2 1 395.592 0.755 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1Cc1ccc(C(N)=O)cc1 ZINC001087622524 1196053142 /nfs/dbraw/zinc/05/31/42/1196053142.db2.gz RHZIHIDASIRBBS-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC001087622524 1196053145 /nfs/dbraw/zinc/05/31/45/1196053145.db2.gz RHZIHIDASIRBBS-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001087622524 1196053147 /nfs/dbraw/zinc/05/31/47/1196053147.db2.gz RHZIHIDASIRBBS-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1Cc1ccc(C(N)=O)cc1 ZINC001087622524 1196053150 /nfs/dbraw/zinc/05/31/50/1196053150.db2.gz RHZIHIDASIRBBS-ZWQIFLOQSA-N 2 1 388.512 0.974 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1CCCN1CCCC1=O ZINC001087623132 1196053184 /nfs/dbraw/zinc/05/31/84/1196053184.db2.gz RJROAPORPTWCBQ-XMTFNYHQSA-N 2 1 380.533 0.687 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1CCCN1CCCC1=O ZINC001087623132 1196053187 /nfs/dbraw/zinc/05/31/87/1196053187.db2.gz RJROAPORPTWCBQ-XMTFNYHQSA-N 2 1 380.533 0.687 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1CCCN1CCCC1=O ZINC001087623132 1196053189 /nfs/dbraw/zinc/05/31/89/1196053189.db2.gz RJROAPORPTWCBQ-XMTFNYHQSA-N 2 1 380.533 0.687 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1CCCN1CCCC1=O ZINC001087623132 1196053190 /nfs/dbraw/zinc/05/31/90/1196053190.db2.gz RJROAPORPTWCBQ-XMTFNYHQSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000550481820 1196053701 /nfs/dbraw/zinc/05/37/01/1196053701.db2.gz KMKUUHNCWCGIHD-INIZCTEOSA-N 2 1 376.501 0.796 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000550481631 1196054302 /nfs/dbraw/zinc/05/43/02/1196054302.db2.gz UKHZNMLSXUHHMR-LJQANCHMSA-N 2 1 395.592 0.755 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550481631 1196054304 /nfs/dbraw/zinc/05/43/04/1196054304.db2.gz UKHZNMLSXUHHMR-LJQANCHMSA-N 2 1 395.592 0.755 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000550481631 1196054306 /nfs/dbraw/zinc/05/43/06/1196054306.db2.gz UKHZNMLSXUHHMR-LJQANCHMSA-N 2 1 395.592 0.755 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(O)CN(C(=O)OC(C)(C)C)C3)cn2)CC1 ZINC000895208298 1196054534 /nfs/dbraw/zinc/05/45/34/1196054534.db2.gz QOGLYJLETUXCRI-UHFFFAOYSA-N 2 1 392.504 0.300 20 0 GCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000550484062 1196054612 /nfs/dbraw/zinc/05/46/12/1196054612.db2.gz MYBBIIRTCKWQOK-LJQANCHMSA-N 2 1 388.512 0.545 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000550519391 1196072185 /nfs/dbraw/zinc/07/21/85/1196072185.db2.gz NPXUBIWGRVYADP-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550519391 1196072187 /nfs/dbraw/zinc/07/21/87/1196072187.db2.gz NPXUBIWGRVYADP-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC000550519391 1196072188 /nfs/dbraw/zinc/07/21/88/1196072188.db2.gz NPXUBIWGRVYADP-WMZOPIPTSA-N 2 1 381.565 0.460 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000550518768 1196073050 /nfs/dbraw/zinc/07/30/50/1196073050.db2.gz IQEYWLDINNVQBQ-SJLPKXTDSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000550518768 1196073054 /nfs/dbraw/zinc/07/30/54/1196073054.db2.gz IQEYWLDINNVQBQ-SJLPKXTDSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000550518768 1196073055 /nfs/dbraw/zinc/07/30/55/1196073055.db2.gz IQEYWLDINNVQBQ-SJLPKXTDSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000550521849 1196074288 /nfs/dbraw/zinc/07/42/88/1196074288.db2.gz UKWMHSNZOXBOQW-QGZVFWFLSA-N 2 1 381.565 0.365 20 0 GCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895297301 1196079252 /nfs/dbraw/zinc/07/92/52/1196079252.db2.gz CDWPQQJZAXHAGA-MSOLQXFVSA-N 2 1 396.532 0.108 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895297301 1196079256 /nfs/dbraw/zinc/07/92/56/1196079256.db2.gz CDWPQQJZAXHAGA-MSOLQXFVSA-N 2 1 396.532 0.108 20 0 GCADMP C[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)(N2CCOCC2)CC1 ZINC000895333954 1196083297 /nfs/dbraw/zinc/08/32/97/1196083297.db2.gz MJPBEJOLPWSGFM-ZWKOTPCHSA-N 2 1 379.549 0.661 20 0 GCADMP O=C1[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1c1ccccc1F ZINC000114501911 1196101408 /nfs/dbraw/zinc/10/14/08/1196101408.db2.gz FVXRIGDDIPLMBX-SFHVURJKSA-N 2 1 378.492 0.911 20 0 GCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000114603000 1196105949 /nfs/dbraw/zinc/10/59/49/1196105949.db2.gz DUKCZBJJTXIUNT-GOSISDBHSA-N 2 1 381.565 0.693 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000114602564 1196106385 /nfs/dbraw/zinc/10/63/85/1196106385.db2.gz DXAIQTKEUQRDAO-IBGZPJMESA-N 2 1 381.565 0.646 20 0 GCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114595989 1196106420 /nfs/dbraw/zinc/10/64/20/1196106420.db2.gz MOJNORXRVMXHKD-IBGZPJMESA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737475 1196110905 /nfs/dbraw/zinc/11/09/05/1196110905.db2.gz WDOLNDKJBKZWRD-KLHDSHLOSA-N 2 1 390.536 0.717 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)NC4CCOCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971749 1196142641 /nfs/dbraw/zinc/14/26/41/1196142641.db2.gz QVZWDNMEACPADR-VXIBKDFQSA-N 2 1 392.544 0.402 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)NC4CCOCC4)CC[C@@H]3C2)CC[NH+]1C ZINC001087971749 1196142642 /nfs/dbraw/zinc/14/26/42/1196142642.db2.gz QVZWDNMEACPADR-VXIBKDFQSA-N 2 1 392.544 0.402 20 0 GCADMP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H]1C[N@@H+](C)CCN1C ZINC000896532509 1196153666 /nfs/dbraw/zinc/15/36/66/1196153666.db2.gz LRBYLTZFIDFGFS-KDOFPFPSSA-N 2 1 388.516 0.668 20 0 GCADMP C[NH+]1CCC2(CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329170844 1196171709 /nfs/dbraw/zinc/17/17/09/1196171709.db2.gz KFVGWRFBRQAVJL-SFHVURJKSA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)CC(O)CC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000329187389 1196173621 /nfs/dbraw/zinc/17/36/21/1196173621.db2.gz GUKAHCHOYJMMFR-BRSBDYLESA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329238685 1196178952 /nfs/dbraw/zinc/17/89/52/1196178952.db2.gz LIXGMRHSVLYJNE-HKUYNNGSSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)[C@@H](C)C1 ZINC000665460579 1196183917 /nfs/dbraw/zinc/18/39/17/1196183917.db2.gz OSOQZUFPEATFMO-IRXDYDNUSA-N 2 1 382.549 0.974 20 0 GCADMP [NH3+]C1(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)Cc2ccccc2C1 ZINC000166980642 1196210842 /nfs/dbraw/zinc/21/08/42/1196210842.db2.gz MGJKGDXMJHXFSA-UHFFFAOYSA-N 2 1 392.503 0.943 20 0 GCADMP CN(C(=O)CC1(O)CCCCC1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000329889257 1196236367 /nfs/dbraw/zinc/23/63/67/1196236367.db2.gz ZXXUESBZRXCEEG-UHFFFAOYSA-N 2 1 394.560 0.769 20 0 GCADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000330298962 1196267129 /nfs/dbraw/zinc/26/71/29/1196267129.db2.gz LYYHRCSWWNJIBA-QZTJIDSGSA-N 2 1 380.533 0.642 20 0 GCADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000330298960 1196267163 /nfs/dbraw/zinc/26/71/63/1196267163.db2.gz LYYHRCSWWNJIBA-MSOLQXFVSA-N 2 1 380.533 0.642 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)[nH]n1 ZINC000665529947 1196304801 /nfs/dbraw/zinc/30/48/01/1196304801.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)n[nH]1 ZINC000665529947 1196304806 /nfs/dbraw/zinc/30/48/06/1196304806.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC)n[nH]1 ZINC000665529947 1196304810 /nfs/dbraw/zinc/30/48/10/1196304810.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@H+]2CC)[nH]n1 ZINC000665529947 1196304812 /nfs/dbraw/zinc/30/48/12/1196304812.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@H]1CNC(=O)c1cc(C(=O)NC[C@H]2CCC[N@@H+]2CC)[nH]n1 ZINC000665529947 1196304815 /nfs/dbraw/zinc/30/48/15/1196304815.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)n[nH]1 ZINC000665529947 1196304819 /nfs/dbraw/zinc/30/48/19/1196304819.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 1 376.505 0.838 20 0 GCADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1cc(C(=O)NC[C@@H]2CCC[N@H+]2CC)n[nH]1 ZINC000665529947 1196304823 /nfs/dbraw/zinc/30/48/23/1196304823.db2.gz YPNLZZJUIBGYAL-GASCZTMLSA-N 2 1 376.505 0.838 20 0 GCADMP C[S@](=O)C1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000281889163 1196345349 /nfs/dbraw/zinc/34/53/49/1196345349.db2.gz PVQJOYJAXJKEGO-SANMLTNESA-N 2 1 379.530 0.804 20 0 GCADMP C[S@@](=O)C1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000281889159 1196345658 /nfs/dbraw/zinc/34/56/58/1196345658.db2.gz PVQJOYJAXJKEGO-AREMUKBSSA-N 2 1 379.530 0.804 20 0 GCADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(CC(=O)N3CC[NH+](C)CC3)c2)C1(C)C ZINC000444167406 1196354793 /nfs/dbraw/zinc/35/47/93/1196354793.db2.gz MTCJYOYBJSQOKK-HNAYVOBHSA-N 2 1 392.504 0.128 20 0 GCADMP CN(C(=O)CN1CCN(C)C(=O)C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000444234770 1196366514 /nfs/dbraw/zinc/36/65/14/1196366514.db2.gz FHDBNORYAOXXMJ-MOPGFXCFSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCCCN2CC[NH+](C)CC2)CC1 ZINC000523005271 1196387036 /nfs/dbraw/zinc/38/70/36/1196387036.db2.gz NFDABLIBWMGLFN-UHFFFAOYSA-N 2 1 396.580 0.210 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717533 1196447592 /nfs/dbraw/zinc/44/75/92/1196447592.db2.gz CZTFFEXMOFDKEH-PGRDOPGGSA-N 2 1 399.539 0.994 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000102050891 1196490968 /nfs/dbraw/zinc/49/09/68/1196490968.db2.gz XOBYARYQPKZCNP-SFHVURJKSA-N 2 1 388.516 0.856 20 0 GCADMP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367146991 1196494620 /nfs/dbraw/zinc/49/46/20/1196494620.db2.gz DPYQJCCPUBFOIM-NRFANRHFSA-N 2 1 385.556 0.700 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367146991 1196494624 /nfs/dbraw/zinc/49/46/24/1196494624.db2.gz DPYQJCCPUBFOIM-NRFANRHFSA-N 2 1 385.556 0.700 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367146991 1196494626 /nfs/dbraw/zinc/49/46/26/1196494626.db2.gz DPYQJCCPUBFOIM-NRFANRHFSA-N 2 1 385.556 0.700 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N(C)C ZINC000523452324 1196524709 /nfs/dbraw/zinc/52/47/09/1196524709.db2.gz JPHDCPUBTVUXCA-SJORKVTESA-N 2 1 391.516 0.937 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[NH+](C)C ZINC000523452324 1196524713 /nfs/dbraw/zinc/52/47/13/1196524713.db2.gz JPHDCPUBTVUXCA-SJORKVTESA-N 2 1 391.516 0.937 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000523914647 1196567126 /nfs/dbraw/zinc/56/71/26/1196567126.db2.gz JZGVLPZWJMYFHS-KURKYZTESA-N 2 1 397.564 0.728 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCC(C)(C)N1CCOCC1 ZINC000523919139 1196568341 /nfs/dbraw/zinc/56/83/41/1196568341.db2.gz ADUZATVPANXFKX-INIZCTEOSA-N 2 1 383.537 0.339 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000446273775 1196629656 /nfs/dbraw/zinc/62/96/56/1196629656.db2.gz CLKNCGDPEVWYNK-RIFZZMRRSA-N 2 1 380.533 0.626 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000524905220 1196636262 /nfs/dbraw/zinc/63/62/62/1196636262.db2.gz AXZXOMZMMCDYPG-UHFFFAOYSA-N 2 1 383.581 0.892 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000524905220 1196636268 /nfs/dbraw/zinc/63/62/68/1196636268.db2.gz AXZXOMZMMCDYPG-UHFFFAOYSA-N 2 1 383.581 0.892 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)N2CCC([N@@H+](C)CCCO)CC2)CC1 ZINC000524905220 1196636271 /nfs/dbraw/zinc/63/62/71/1196636271.db2.gz AXZXOMZMMCDYPG-UHFFFAOYSA-N 2 1 383.581 0.892 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000446365046 1196638004 /nfs/dbraw/zinc/63/80/04/1196638004.db2.gz YQNBNRNPYNQKLK-UIVXKWKOSA-N 2 1 380.533 0.578 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)[C@]3([NH3+])[C@H]4CCCO[C@H]4C3(C)C)CC2)cc[nH+]1 ZINC000446372893 1196640043 /nfs/dbraw/zinc/64/00/43/1196640043.db2.gz YGIHRRUKTLVRFW-YYFZDKIDSA-N 2 1 388.516 0.724 20 0 GCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000446683972 1196658404 /nfs/dbraw/zinc/65/84/04/1196658404.db2.gz VEDKOZBFRNFGJY-UHFFFAOYSA-N 2 1 397.564 0.635 20 0 GCADMP C[NH+](C)CCNC(=O)Cn1cc(NC(=O)c2sccc2C[NH+](C)C)cn1 ZINC000446917967 1196683042 /nfs/dbraw/zinc/68/30/42/1196683042.db2.gz GXPBWLAHGAGHNB-UHFFFAOYSA-N 2 1 378.502 0.936 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000525512950 1196687524 /nfs/dbraw/zinc/68/75/24/1196687524.db2.gz RJQOGTVIIIGFRC-AZUAARDMSA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525512950 1196687527 /nfs/dbraw/zinc/68/75/27/1196687527.db2.gz RJQOGTVIIIGFRC-AZUAARDMSA-N 2 1 375.517 0.168 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000525512950 1196687529 /nfs/dbraw/zinc/68/75/29/1196687529.db2.gz RJQOGTVIIIGFRC-AZUAARDMSA-N 2 1 375.517 0.168 20 0 GCADMP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000897359056 1196905270 /nfs/dbraw/zinc/90/52/70/1196905270.db2.gz KOMWOWCEJLEYIG-SFHVURJKSA-N 2 1 394.560 0.936 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318631 1196914461 /nfs/dbraw/zinc/91/44/61/1196914461.db2.gz XQTDIGSLQJPIND-CVEARBPZSA-N 2 1 378.473 0.566 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC[C@H]3COCC[NH2+]3)C2)cc(OC)c1 ZINC000529318631 1196914462 /nfs/dbraw/zinc/91/44/62/1196914462.db2.gz XQTDIGSLQJPIND-CVEARBPZSA-N 2 1 378.473 0.566 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1)Cc1ccccc1 ZINC000529382688 1196918969 /nfs/dbraw/zinc/91/89/69/1196918969.db2.gz VCBHSWXGEYALKC-IBGZPJMESA-N 2 1 375.517 0.434 20 0 GCADMP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000529387807 1196919439 /nfs/dbraw/zinc/91/94/39/1196919439.db2.gz MJVOCNZEEUSPOT-INIZCTEOSA-N 2 1 376.505 0.754 20 0 GCADMP Cc1nn(CC[NH+](C)C)c(C)c1S(=O)(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530376293 1196983629 /nfs/dbraw/zinc/98/36/29/1196983629.db2.gz YZGLUDQPUMLMIO-UHFFFAOYSA-N 2 1 388.582 0.175 20 0 GCADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000671104425 1196992783 /nfs/dbraw/zinc/99/27/83/1196992783.db2.gz OGMXWMQULLJGSN-ROUUACIJSA-N 2 1 392.544 0.833 20 0 GCADMP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC(=O)N(CC[NH+](C)C)C3)cc2)CC1 ZINC000530572108 1196997045 /nfs/dbraw/zinc/99/70/45/1196997045.db2.gz IMEALGLKZMUMJZ-SFHVURJKSA-N 2 1 387.528 0.783 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000530629973 1197000584 /nfs/dbraw/zinc/00/05/84/1197000584.db2.gz ANEXCESYVMLCJU-AQNXPRMDSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000530629973 1197000587 /nfs/dbraw/zinc/00/05/87/1197000587.db2.gz ANEXCESYVMLCJU-AQNXPRMDSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000530629973 1197000590 /nfs/dbraw/zinc/00/05/90/1197000590.db2.gz ANEXCESYVMLCJU-AQNXPRMDSA-N 2 1 389.544 0.414 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385571 1197055328 /nfs/dbraw/zinc/05/53/28/1197055328.db2.gz UYAXURXXMJEQHC-KZNAEPCWSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452385571 1197055331 /nfs/dbraw/zinc/05/53/31/1197055331.db2.gz UYAXURXXMJEQHC-KZNAEPCWSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](CCCO)C2)CC1=O ZINC000452385571 1197055336 /nfs/dbraw/zinc/05/53/36/1197055336.db2.gz UYAXURXXMJEQHC-KZNAEPCWSA-N 2 1 380.533 0.282 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)CC1=O ZINC000452385569 1197055664 /nfs/dbraw/zinc/05/56/64/1197055664.db2.gz UYAXURXXMJEQHC-FGTMMUONSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1=O ZINC000452385569 1197055667 /nfs/dbraw/zinc/05/56/67/1197055667.db2.gz UYAXURXXMJEQHC-FGTMMUONSA-N 2 1 380.533 0.282 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)CC1=O ZINC000452385569 1197055671 /nfs/dbraw/zinc/05/56/71/1197055671.db2.gz UYAXURXXMJEQHC-FGTMMUONSA-N 2 1 380.533 0.282 20 0 GCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644952 1197089427 /nfs/dbraw/zinc/08/94/27/1197089427.db2.gz DLLZGWAINHBWED-MOPGFXCFSA-N 2 1 379.549 0.214 20 0 GCADMP CC(=O)N[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644952 1197089429 /nfs/dbraw/zinc/08/94/29/1197089429.db2.gz DLLZGWAINHBWED-MOPGFXCFSA-N 2 1 379.549 0.214 20 0 GCADMP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)nc(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000531823577 1197099711 /nfs/dbraw/zinc/09/97/11/1197099711.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 2 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)nc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000531823577 1197099716 /nfs/dbraw/zinc/09/97/16/1197099716.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 3 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@H]2CC[NH+](C(C)C)C2)nc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000531823577 1197099719 /nfs/dbraw/zinc/09/97/19/1197099719.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 3 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823577 1197099723 /nfs/dbraw/zinc/09/97/23/1197099723.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 3 1 390.580 0.463 20 0 GCADMP CNc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)nc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000531823577 1197099726 /nfs/dbraw/zinc/09/97/26/1197099726.db2.gz MYICSLJEJVDJBY-IAGOWNOFSA-N 3 1 390.580 0.463 20 0 GCADMP C[NH+]1CCN(c2ncc(CNC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000531883388 1197101963 /nfs/dbraw/zinc/10/19/63/1197101963.db2.gz YAECXLUJYOQKAK-QFIPXVFZSA-N 2 1 396.539 0.955 20 0 GCADMP C[NH+]1CCN(c2ncc(CNC[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cn2)CC1 ZINC000531883388 1197101965 /nfs/dbraw/zinc/10/19/65/1197101965.db2.gz YAECXLUJYOQKAK-QFIPXVFZSA-N 2 1 396.539 0.955 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000532264897 1197132255 /nfs/dbraw/zinc/13/22/55/1197132255.db2.gz FFMKCTDTZPCBEQ-NZSAHSFTSA-N 2 1 381.565 0.547 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000532264898 1197132473 /nfs/dbraw/zinc/13/24/73/1197132473.db2.gz FFMKCTDTZPCBEQ-QRQLOZEOSA-N 2 1 381.565 0.547 20 0 GCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](CCCO)C2)cc1 ZINC000453812691 1197134516 /nfs/dbraw/zinc/13/45/16/1197134516.db2.gz XIOXPPKKEBMFTG-SFHVURJKSA-N 2 1 376.501 0.692 20 0 GCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000453802061 1197137556 /nfs/dbraw/zinc/13/75/56/1197137556.db2.gz BDRDTUGEYJLTQC-KRWDZBQOSA-N 2 1 376.501 0.958 20 0 GCADMP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CCCO)cc1 ZINC000453804522 1197138458 /nfs/dbraw/zinc/13/84/58/1197138458.db2.gz HZMQGTDLMGLCGR-GOSISDBHSA-N 2 1 376.501 0.692 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532334099 1197145511 /nfs/dbraw/zinc/14/55/11/1197145511.db2.gz WBZXZXYZFXCNPS-KNCCTNLNSA-N 2 1 378.517 0.201 20 0 GCADMP CCC[N@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000428511630 1197152545 /nfs/dbraw/zinc/15/25/45/1197152545.db2.gz SUTVBLXIQJXMEV-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000428511630 1197152548 /nfs/dbraw/zinc/15/25/48/1197152548.db2.gz SUTVBLXIQJXMEV-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCC(=O)N1CC[NH2+]CC1 ZINC000508645064 1197236732 /nfs/dbraw/zinc/23/67/32/1197236732.db2.gz JPJDIXXGLBFCCB-UHFFFAOYSA-N 2 1 383.514 0.613 20 0 GCADMP CC1C[C@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000192501250 1197246728 /nfs/dbraw/zinc/24/67/28/1197246728.db2.gz JOPIERUYLFKIBG-ROMHJBHXSA-N 2 1 388.556 0.689 20 0 GCADMP CC1C[C@@H](C(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)C1 ZINC000192501231 1197247032 /nfs/dbraw/zinc/24/70/32/1197247032.db2.gz JOPIERUYLFKIBG-WMDIELAYSA-N 2 1 388.556 0.689 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000123501160 1197282901 /nfs/dbraw/zinc/28/29/01/1197282901.db2.gz ZGHWQMDJNMMJHX-UHFFFAOYSA-N 2 1 375.517 0.829 20 0 GCADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000453973931 1197292354 /nfs/dbraw/zinc/29/23/54/1197292354.db2.gz MRHSTWTWQHKGRE-HNNXBMFYSA-N 2 1 376.505 1.031 20 0 GCADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000453973931 1197292357 /nfs/dbraw/zinc/29/23/57/1197292357.db2.gz MRHSTWTWQHKGRE-HNNXBMFYSA-N 2 1 376.505 1.031 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729610175 1197308452 /nfs/dbraw/zinc/30/84/52/1197308452.db2.gz DODWOKQGHXQQBE-IKGGRYGDSA-N 2 1 381.521 0.092 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C)CC[N@@H+]1C ZINC000988335587 1197311830 /nfs/dbraw/zinc/31/18/30/1197311830.db2.gz NCYZIUPITLLCNU-VSZNYVQBSA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C(=O)CC[NH+]3CCOCC3)[C@@H]2C)CC[N@H+]1C ZINC000988335587 1197311833 /nfs/dbraw/zinc/31/18/33/1197311833.db2.gz NCYZIUPITLLCNU-VSZNYVQBSA-N 2 1 380.533 0.545 20 0 GCADMP CC[C@H](C)c1nnc(N2CC[N@@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001708546311 1197314955 /nfs/dbraw/zinc/31/49/55/1197314955.db2.gz JLWRQPNJPJSHTJ-IRXDYDNUSA-N 2 1 380.537 0.891 20 0 GCADMP CC[C@H](C)c1nnc(N2CC[N@H+]3CCOC[C@@H]3C2)n1CCOCC[NH+](C)C ZINC001708546311 1197314959 /nfs/dbraw/zinc/31/49/59/1197314959.db2.gz JLWRQPNJPJSHTJ-IRXDYDNUSA-N 2 1 380.537 0.891 20 0 GCADMP COCC[NH2+]CCNC(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418513169 1197320578 /nfs/dbraw/zinc/32/05/78/1197320578.db2.gz UPYVFPVOFHBEBS-CALCHBBNSA-N 2 1 386.537 0.522 20 0 GCADMP COCC[NH2+]CCNC(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418513169 1197320582 /nfs/dbraw/zinc/32/05/82/1197320582.db2.gz UPYVFPVOFHBEBS-CALCHBBNSA-N 2 1 386.537 0.522 20 0 GCADMP COC(=O)C1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568200 1197329790 /nfs/dbraw/zinc/32/97/90/1197329790.db2.gz NNXZKZGLTRDGHO-MJGOQNOKSA-N 2 1 394.560 0.887 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620307 1197355186 /nfs/dbraw/zinc/35/51/86/1197355186.db2.gz QCJNDSNEJCDZCB-RTBURBONSA-N 2 1 380.533 0.994 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cc2)CC1 ZINC000536539875 1197356134 /nfs/dbraw/zinc/35/61/34/1197356134.db2.gz RVZMUFNXSGMRPQ-HXUWFJFHSA-N 2 1 399.539 0.722 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3C[N@H+]4CCN3CCC4)cc2)CC1 ZINC000536539875 1197356137 /nfs/dbraw/zinc/35/61/37/1197356137.db2.gz RVZMUFNXSGMRPQ-HXUWFJFHSA-N 2 1 399.539 0.722 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)NC1CC1 ZINC001088574720 1197369575 /nfs/dbraw/zinc/36/95/75/1197369575.db2.gz MDBYCPABLWFKOM-QKUWSGOFSA-N 2 1 392.544 0.591 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)NC1CC1 ZINC001088574720 1197369579 /nfs/dbraw/zinc/36/95/79/1197369579.db2.gz MDBYCPABLWFKOM-QKUWSGOFSA-N 2 1 392.544 0.591 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCN(C)CC2)CC1=O ZINC000105318860 1197392010 /nfs/dbraw/zinc/39/20/10/1197392010.db2.gz GSRIJXPTUIEFLP-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000105318860 1197392013 /nfs/dbraw/zinc/39/20/13/1197392013.db2.gz GSRIJXPTUIEFLP-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCCN2CC[NH+](C)CC2)CC1=O ZINC000105318860 1197392016 /nfs/dbraw/zinc/39/20/16/1197392016.db2.gz GSRIJXPTUIEFLP-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP O=C1C[C@@]2(CN1)CCC[NH+](CCOCC[N@@H+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000532717387 1197396693 /nfs/dbraw/zinc/39/66/93/1197396693.db2.gz XOLUXKXMUFYPOV-BGYRXZFFSA-N 2 1 378.517 0.207 20 0 GCADMP O=C1C[C@@]2(CN1)CCC[N@@H+](CCOCC[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000532717387 1197396695 /nfs/dbraw/zinc/39/66/95/1197396695.db2.gz XOLUXKXMUFYPOV-BGYRXZFFSA-N 2 1 378.517 0.207 20 0 GCADMP O=C1C[C@@]2(CN1)CCC[N@H+](CCOCC[NH+]1CCC[C@]3(CNC(=O)C3)C1)C2 ZINC000532717387 1197396698 /nfs/dbraw/zinc/39/66/98/1197396698.db2.gz XOLUXKXMUFYPOV-BGYRXZFFSA-N 2 1 378.517 0.207 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[N@@H+]1C ZINC001088579360 1197397717 /nfs/dbraw/zinc/39/77/17/1197397717.db2.gz CJCHBPFPMRDXFE-LTIDMASMSA-N 2 1 386.562 0.331 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[N@H+]1C ZINC001088579360 1197397720 /nfs/dbraw/zinc/39/77/20/1197397720.db2.gz CJCHBPFPMRDXFE-LTIDMASMSA-N 2 1 386.562 0.331 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[NH+]1C ZINC001088579360 1197397722 /nfs/dbraw/zinc/39/77/22/1197397722.db2.gz CJCHBPFPMRDXFE-LTIDMASMSA-N 2 1 386.562 0.331 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3CCCS3(=O)=O)[C@@H]2C)CC[NH+]1C ZINC001088579360 1197397725 /nfs/dbraw/zinc/39/77/25/1197397725.db2.gz CJCHBPFPMRDXFE-LTIDMASMSA-N 2 1 386.562 0.331 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000245419404 1197403404 /nfs/dbraw/zinc/40/34/04/1197403404.db2.gz LTTJHGRXCMCNAA-HKUYNNGSSA-N 2 1 392.544 0.642 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C[NH3+])C1 ZINC000419761152 1197427299 /nfs/dbraw/zinc/42/72/99/1197427299.db2.gz PCXPRWBKXAMKPH-SJORKVTESA-N 2 1 380.464 0.338 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)CC1=O ZINC000245756688 1197430110 /nfs/dbraw/zinc/43/01/10/1197430110.db2.gz YMTAZPMVCNMMPW-OTWHNJEPSA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC000245756688 1197430112 /nfs/dbraw/zinc/43/01/12/1197430112.db2.gz YMTAZPMVCNMMPW-OTWHNJEPSA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC000245756688 1197430113 /nfs/dbraw/zinc/43/01/13/1197430113.db2.gz YMTAZPMVCNMMPW-OTWHNJEPSA-N 2 1 394.560 0.672 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)NCC[N@H+]2CCCOCC2)CC1 ZINC000454995374 1197441529 /nfs/dbraw/zinc/44/15/29/1197441529.db2.gz DCFOUNOOSGJOLW-UHFFFAOYSA-N 2 1 386.537 0.478 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1=O ZINC000246351699 1197465496 /nfs/dbraw/zinc/46/54/96/1197465496.db2.gz DDQFQRZUYMXZJO-IPMKNSEASA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1=O ZINC000246351699 1197465497 /nfs/dbraw/zinc/46/54/97/1197465497.db2.gz DDQFQRZUYMXZJO-IPMKNSEASA-N 2 1 394.560 0.792 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1=O ZINC000246351699 1197465498 /nfs/dbraw/zinc/46/54/98/1197465498.db2.gz DDQFQRZUYMXZJO-IPMKNSEASA-N 2 1 394.560 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246415820 1197469424 /nfs/dbraw/zinc/46/94/24/1197469424.db2.gz LOBWZXRCBBPEDI-IPMKNSEASA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246415820 1197469427 /nfs/dbraw/zinc/46/94/27/1197469427.db2.gz LOBWZXRCBBPEDI-IPMKNSEASA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246415820 1197469429 /nfs/dbraw/zinc/46/94/29/1197469429.db2.gz LOBWZXRCBBPEDI-IPMKNSEASA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1=O ZINC000246449117 1197470500 /nfs/dbraw/zinc/47/05/00/1197470500.db2.gz LRHCSBRNNZHAFA-GBESFXJTSA-N 2 1 392.544 0.500 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CC[NH+](CCCOC)CC2)CC1=O ZINC000246478920 1197471384 /nfs/dbraw/zinc/47/13/84/1197471384.db2.gz RIXJFZBYJPEXRH-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000988753955 1197503781 /nfs/dbraw/zinc/50/37/81/1197503781.db2.gz HSAUTTJXCBRDDG-WCXIOVBPSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CCN1C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000988753955 1197503782 /nfs/dbraw/zinc/50/37/82/1197503782.db2.gz HSAUTTJXCBRDDG-WCXIOVBPSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000988753955 1197503785 /nfs/dbraw/zinc/50/37/85/1197503785.db2.gz HSAUTTJXCBRDDG-WCXIOVBPSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCC(C)(C)C1 ZINC000988753955 1197503788 /nfs/dbraw/zinc/50/37/88/1197503788.db2.gz HSAUTTJXCBRDDG-WCXIOVBPSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000261696614 1197512136 /nfs/dbraw/zinc/51/21/36/1197512136.db2.gz HVPYOTFGVKPNSA-IBGZPJMESA-N 2 1 394.541 0.331 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000261696614 1197512138 /nfs/dbraw/zinc/51/21/38/1197512138.db2.gz HVPYOTFGVKPNSA-IBGZPJMESA-N 2 1 394.541 0.331 20 0 GCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261767927 1197514147 /nfs/dbraw/zinc/51/41/47/1197514147.db2.gz GJFKVCWXCMSTNQ-BZSNNMDCSA-N 2 1 379.549 0.119 20 0 GCADMP O=C(NC[C@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261772717 1197514240 /nfs/dbraw/zinc/51/42/40/1197514240.db2.gz GUPGYPCRZVSGEV-AEFFLSMTSA-N 2 1 394.541 0.545 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000261772717 1197514243 /nfs/dbraw/zinc/51/42/43/1197514243.db2.gz GUPGYPCRZVSGEV-AEFFLSMTSA-N 2 1 394.541 0.545 20 0 GCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767930 1197514346 /nfs/dbraw/zinc/51/43/46/1197514346.db2.gz GJFKVCWXCMSTNQ-RCCFBDPRSA-N 2 1 379.549 0.119 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261786961 1197514731 /nfs/dbraw/zinc/51/47/31/1197514731.db2.gz HVDWRQGYGPANFD-BBWFWOEESA-N 2 1 390.532 0.944 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261786961 1197514734 /nfs/dbraw/zinc/51/47/34/1197514734.db2.gz HVDWRQGYGPANFD-BBWFWOEESA-N 2 1 390.532 0.944 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261885860 1197517553 /nfs/dbraw/zinc/51/75/53/1197517553.db2.gz PTZGANIZRDERRC-XHSDSOJGSA-N 2 1 381.521 0.437 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261884601 1197517619 /nfs/dbraw/zinc/51/76/19/1197517619.db2.gz PRUJTZRTPLBWPV-MELADBBJSA-N 2 1 376.423 0.730 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261884601 1197517622 /nfs/dbraw/zinc/51/76/22/1197517622.db2.gz PRUJTZRTPLBWPV-MELADBBJSA-N 2 1 376.423 0.730 20 0 GCADMP Cn1ccc(N2CCC[C@H]([N@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)C2=O)n1 ZINC000261918002 1197519130 /nfs/dbraw/zinc/51/91/30/1197519130.db2.gz USRUJAAXRLGGNX-ZACQAIPSSA-N 2 1 388.516 0.496 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916382 1197519314 /nfs/dbraw/zinc/51/93/14/1197519314.db2.gz UKWGRCOLFMHBDO-GDBMZVCRSA-N 2 1 388.468 0.934 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)Nc1ccc2c(c1)OCO2 ZINC000261916382 1197519315 /nfs/dbraw/zinc/51/93/15/1197519315.db2.gz UKWGRCOLFMHBDO-GDBMZVCRSA-N 2 1 388.468 0.934 20 0 GCADMP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261964799 1197521065 /nfs/dbraw/zinc/52/10/65/1197521065.db2.gz AYBOXXGCGKSZLM-GOSISDBHSA-N 2 1 388.512 0.728 20 0 GCADMP C[NH2+]CCC1CC[NH+](CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000261972282 1197521224 /nfs/dbraw/zinc/52/12/24/1197521224.db2.gz DRFDDZCDXOGUHT-UHFFFAOYSA-N 2 1 380.514 0.545 20 0 GCADMP O=C(CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)N1CCc2ccccc21 ZINC000262028334 1197522561 /nfs/dbraw/zinc/52/25/61/1197522561.db2.gz GSMVLQUHXVIYEQ-UHFFFAOYSA-N 2 1 385.512 0.015 20 0 GCADMP O=C(CC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000262014558 1197522600 /nfs/dbraw/zinc/52/26/00/1197522600.db2.gz FRZKNJHANDFXLP-MRXNPFEDSA-N 2 1 398.504 0.390 20 0 GCADMP COc1cc(OC)cc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262029766 1197523254 /nfs/dbraw/zinc/52/32/54/1197523254.db2.gz GUJYSMVLJOWBJP-UHFFFAOYSA-N 2 1 390.484 0.284 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(COC)CC[NH2+]CC3)CC2)CC1 ZINC000262411904 1197530604 /nfs/dbraw/zinc/53/06/04/1197530604.db2.gz SNXLCYKUFUZJEP-UHFFFAOYSA-N 2 1 394.560 0.795 20 0 GCADMP COC[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000262378933 1197531473 /nfs/dbraw/zinc/53/14/73/1197531473.db2.gz XNNPXQXJDMFBLJ-GOSISDBHSA-N 2 1 376.501 0.447 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000428634210 1197558287 /nfs/dbraw/zinc/55/82/87/1197558287.db2.gz ZJVVEDMHWRSJDE-YRXWBPOGSA-N 2 1 394.560 0.791 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000533817471 1197569059 /nfs/dbraw/zinc/56/90/59/1197569059.db2.gz UKSOQVKAUDIATE-DTDBQYNISA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000533817471 1197569064 /nfs/dbraw/zinc/56/90/64/1197569064.db2.gz UKSOQVKAUDIATE-DTDBQYNISA-N 2 1 394.585 0.917 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CSCC(=O)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000533817471 1197569069 /nfs/dbraw/zinc/56/90/69/1197569069.db2.gz UKSOQVKAUDIATE-DTDBQYNISA-N 2 1 394.585 0.917 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672004462 1198998397 /nfs/dbraw/zinc/99/83/97/1198998397.db2.gz SLQIZCNAGADLHS-UHFFFAOYSA-N 2 1 382.549 0.795 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CC[NH+](C)CC1 ZINC000672008610 1199000570 /nfs/dbraw/zinc/00/05/70/1199000570.db2.gz AUCHQISLHDDNKJ-FUHWJXTLSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1)C1CC[NH+](C)CC1 ZINC000672010336 1199004339 /nfs/dbraw/zinc/00/43/39/1199004339.db2.gz NJBMEYAYBZHBNB-PKOBYXMFSA-N 2 1 393.576 0.461 20 0 GCADMP Cc1nocc1CN1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](O)C1 ZINC001083795369 1199011210 /nfs/dbraw/zinc/01/12/10/1199011210.db2.gz XOVTUPRXQMLOHT-WCIQWLHISA-N 2 1 384.480 0.990 20 0 GCADMP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000542748743 1199023022 /nfs/dbraw/zinc/02/30/22/1199023022.db2.gz PYIOLVCDVLPHNP-SFHVURJKSA-N 2 1 380.581 0.291 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)c2)CC1 ZINC000108617404 1199061245 /nfs/dbraw/zinc/06/12/45/1199061245.db2.gz LOGVEQLEODDBOY-FQEVSTJZSA-N 2 1 399.539 0.973 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000626928472 1199080322 /nfs/dbraw/zinc/08/03/22/1199080322.db2.gz UMLQLHXHWIBEGS-LZWOXQAQSA-N 2 1 379.509 0.500 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H](C)O1 ZINC000626928472 1199080329 /nfs/dbraw/zinc/08/03/29/1199080329.db2.gz UMLQLHXHWIBEGS-LZWOXQAQSA-N 2 1 379.509 0.500 20 0 GCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1 ZINC000672098392 1199089279 /nfs/dbraw/zinc/08/92/79/1199089279.db2.gz SGOOLYQTQIGUNU-GOSISDBHSA-N 2 1 395.592 0.850 20 0 GCADMP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672098392 1199089282 /nfs/dbraw/zinc/08/92/82/1199089282.db2.gz SGOOLYQTQIGUNU-GOSISDBHSA-N 2 1 395.592 0.850 20 0 GCADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(=O)N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000672098392 1199089285 /nfs/dbraw/zinc/08/92/85/1199089285.db2.gz SGOOLYQTQIGUNU-GOSISDBHSA-N 2 1 395.592 0.850 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000672111575 1199109283 /nfs/dbraw/zinc/10/92/83/1199109283.db2.gz BOZADHBBGAZZFB-IAGOWNOFSA-N 2 1 395.548 0.034 20 0 GCADMP Cc1ncsc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672252560 1199174881 /nfs/dbraw/zinc/17/48/81/1199174881.db2.gz OJBMAOLAMOBBMB-OAHLLOKOSA-N 2 1 379.530 0.695 20 0 GCADMP Cc1ncsc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672252560 1199174886 /nfs/dbraw/zinc/17/48/86/1199174886.db2.gz OJBMAOLAMOBBMB-OAHLLOKOSA-N 2 1 379.530 0.695 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1CCOC ZINC000672304131 1199197736 /nfs/dbraw/zinc/19/77/36/1199197736.db2.gz IRNIIYXTCSGAJJ-MSOLQXFVSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CCOC ZINC000672304131 1199197741 /nfs/dbraw/zinc/19/77/41/1199197741.db2.gz IRNIIYXTCSGAJJ-MSOLQXFVSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CCOC ZINC000672304131 1199197745 /nfs/dbraw/zinc/19/77/45/1199197745.db2.gz IRNIIYXTCSGAJJ-MSOLQXFVSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CCOC ZINC000672304131 1199197753 /nfs/dbraw/zinc/19/77/53/1199197753.db2.gz IRNIIYXTCSGAJJ-MSOLQXFVSA-N 2 1 380.533 0.546 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](C)C1 ZINC000672311218 1199202064 /nfs/dbraw/zinc/20/20/64/1199202064.db2.gz BALXTPFAOIKMOU-UHOSZYNNSA-N 2 1 394.560 0.840 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000672308958 1199203956 /nfs/dbraw/zinc/20/39/56/1199203956.db2.gz GWKGEZIUVMRBFW-MSOLQXFVSA-N 2 1 378.517 0.158 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000672311566 1199204811 /nfs/dbraw/zinc/20/48/11/1199204811.db2.gz JDGFXQXDHXRFQK-MSOLQXFVSA-N 2 1 380.533 0.546 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@H]2C1 ZINC000672313432 1199205118 /nfs/dbraw/zinc/20/51/18/1199205118.db2.gz BLBUMUIGBODMKI-SJORKVTESA-N 2 1 378.517 0.300 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000465949027 1199216479 /nfs/dbraw/zinc/21/64/79/1199216479.db2.gz MMTBYZIKMJUUKH-IRXDYDNUSA-N 2 1 383.537 0.326 20 0 GCADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2nn(C)c(=O)cc2C1 ZINC000172794746 1199218343 /nfs/dbraw/zinc/21/83/43/1199218343.db2.gz AOBBEGZEHYLYLC-VQIMIIECSA-N 2 1 395.507 0.918 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957399 1199226516 /nfs/dbraw/zinc/22/65/16/1199226516.db2.gz QBBSQWMYAHMWAB-ROUUACIJSA-N 2 1 396.580 0.145 20 0 GCADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC000465957399 1199226521 /nfs/dbraw/zinc/22/65/21/1199226521.db2.gz QBBSQWMYAHMWAB-ROUUACIJSA-N 2 1 396.580 0.145 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C3)no1 ZINC001002794428 1199270490 /nfs/dbraw/zinc/27/04/90/1199270490.db2.gz IPEHSCSVJQKGEP-SHFYGJNESA-N 2 1 375.473 0.550 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C3)no1 ZINC001002794428 1199270494 /nfs/dbraw/zinc/27/04/94/1199270494.db2.gz IPEHSCSVJQKGEP-SHFYGJNESA-N 2 1 375.473 0.550 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593334 1199275771 /nfs/dbraw/zinc/27/57/71/1199275771.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672593334 1199275779 /nfs/dbraw/zinc/27/57/79/1199275779.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672593334 1199275781 /nfs/dbraw/zinc/27/57/81/1199275781.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593334 1199275784 /nfs/dbraw/zinc/27/57/84/1199275784.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593334 1199275788 /nfs/dbraw/zinc/27/57/88/1199275788.db2.gz OLTOPHNUNIJRCC-JFIYKMOQSA-N 2 1 379.549 0.212 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672597051 1199277367 /nfs/dbraw/zinc/27/73/67/1199277367.db2.gz FHKZGIJWIKYPMS-LJQANCHMSA-N 2 1 393.576 0.463 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638394 1199289460 /nfs/dbraw/zinc/28/94/60/1199289460.db2.gz GOBFMRUIUUBESA-HKUYNNGSSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638394 1199289469 /nfs/dbraw/zinc/28/94/69/1199289469.db2.gz GOBFMRUIUUBESA-HKUYNNGSSA-N 2 1 391.560 0.358 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638512 1199289795 /nfs/dbraw/zinc/28/97/95/1199289795.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638512 1199289799 /nfs/dbraw/zinc/28/97/99/1199289799.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638512 1199289803 /nfs/dbraw/zinc/28/98/03/1199289803.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672638512 1199289814 /nfs/dbraw/zinc/28/98/14/1199289814.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672638512 1199289819 /nfs/dbraw/zinc/28/98/19/1199289819.db2.gz RSZYUZFWXQIQSV-ROUUACIJSA-N 2 1 393.576 0.365 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672639077 1199294693 /nfs/dbraw/zinc/29/46/93/1199294693.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639077 1199294696 /nfs/dbraw/zinc/29/46/96/1199294696.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672639077 1199294699 /nfs/dbraw/zinc/29/46/99/1199294699.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672639077 1199294701 /nfs/dbraw/zinc/29/47/01/1199294701.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 2 1 379.549 0.119 20 0 GCADMP CCC[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672639077 1199294706 /nfs/dbraw/zinc/29/47/06/1199294706.db2.gz YOMNUBZJBRPQFQ-IAGOWNOFSA-N 2 1 379.549 0.119 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640245 1199295582 /nfs/dbraw/zinc/29/55/82/1199295582.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640245 1199295587 /nfs/dbraw/zinc/29/55/87/1199295587.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640245 1199295591 /nfs/dbraw/zinc/29/55/91/1199295591.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640245 1199295597 /nfs/dbraw/zinc/29/55/97/1199295597.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640245 1199295602 /nfs/dbraw/zinc/29/56/02/1199295602.db2.gz YDHZVODNMOJDQX-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672640247 1199296503 /nfs/dbraw/zinc/29/65/03/1199296503.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640247 1199296505 /nfs/dbraw/zinc/29/65/05/1199296505.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672640247 1199296507 /nfs/dbraw/zinc/29/65/07/1199296507.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640247 1199296508 /nfs/dbraw/zinc/29/65/08/1199296508.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640247 1199296511 /nfs/dbraw/zinc/29/65/11/1199296511.db2.gz YDHZVODNMOJDQX-SJORKVTESA-N 2 1 379.549 0.071 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641402 1199297590 /nfs/dbraw/zinc/29/75/90/1199297590.db2.gz QVAHPHFBEOFLQM-SFHVURJKSA-N 2 1 393.576 0.606 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641402 1199297597 /nfs/dbraw/zinc/29/75/97/1199297597.db2.gz QVAHPHFBEOFLQM-SFHVURJKSA-N 2 1 393.576 0.606 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641013 1199297710 /nfs/dbraw/zinc/29/77/10/1199297710.db2.gz JUPMTSRJVFNUKW-CVEARBPZSA-N 2 1 381.565 0.364 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641013 1199297714 /nfs/dbraw/zinc/29/77/14/1199297714.db2.gz JUPMTSRJVFNUKW-CVEARBPZSA-N 2 1 381.565 0.364 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000672642269 1199300841 /nfs/dbraw/zinc/30/08/41/1199300841.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672642269 1199300846 /nfs/dbraw/zinc/30/08/46/1199300846.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC1 ZINC000672642269 1199300849 /nfs/dbraw/zinc/30/08/49/1199300849.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642269 1199300854 /nfs/dbraw/zinc/30/08/54/1199300854.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 2 1 379.549 0.214 20 0 GCADMP CC(C)[NH+]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000672642269 1199300858 /nfs/dbraw/zinc/30/08/58/1199300858.db2.gz DDJSIDIKGQKNGD-QGZVFWFLSA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C[NH+](C)C)CCCC3)C2)CC1 ZINC000672643185 1199302149 /nfs/dbraw/zinc/30/21/49/1199302149.db2.gz TVLJSAYPRLROJP-QGZVFWFLSA-N 2 1 393.576 0.509 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCC3(C[NH+](C)C)CCCC3)C2)CC1 ZINC000672643185 1199302154 /nfs/dbraw/zinc/30/21/54/1199302154.db2.gz TVLJSAYPRLROJP-QGZVFWFLSA-N 2 1 393.576 0.509 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@H]1C ZINC000672643213 1199303333 /nfs/dbraw/zinc/30/33/33/1199303333.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643213 1199303339 /nfs/dbraw/zinc/30/33/39/1199303339.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643213 1199303347 /nfs/dbraw/zinc/30/33/47/1199303347.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643213 1199303353 /nfs/dbraw/zinc/30/33/53/1199303353.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@H]1C ZINC000672643213 1199303358 /nfs/dbraw/zinc/30/33/58/1199303358.db2.gz UWSKIVAZRVJUEF-LMMKCTJWSA-N 2 1 393.576 0.602 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCC3(C[NH+](C)C)CCCC3)C2)CC1 ZINC000672643184 1199303736 /nfs/dbraw/zinc/30/37/36/1199303736.db2.gz TVLJSAYPRLROJP-KRWDZBQOSA-N 2 1 393.576 0.509 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCC3(C[NH+](C)C)CCCC3)C2)CC1 ZINC000672643184 1199303739 /nfs/dbraw/zinc/30/37/39/1199303739.db2.gz TVLJSAYPRLROJP-KRWDZBQOSA-N 2 1 393.576 0.509 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303747 /nfs/dbraw/zinc/30/37/47/1199303747.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303750 /nfs/dbraw/zinc/30/37/50/1199303750.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303752 /nfs/dbraw/zinc/30/37/52/1199303752.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303755 /nfs/dbraw/zinc/30/37/55/1199303755.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643214 1199303756 /nfs/dbraw/zinc/30/37/56/1199303756.db2.gz UWSKIVAZRVJUEF-LNLFQRSKSA-N 2 1 393.576 0.602 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)C2)CC1 ZINC000672641890 1199304484 /nfs/dbraw/zinc/30/44/84/1199304484.db2.gz ZRWWMVBPXJEVTR-LPHOPBHVSA-N 2 1 391.560 0.404 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1 ZINC000672695802 1199315966 /nfs/dbraw/zinc/31/59/66/1199315966.db2.gz ICBJIKANXURHGM-QGZVFWFLSA-N 2 1 382.549 0.794 20 0 GCADMP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000672697909 1199318435 /nfs/dbraw/zinc/31/84/35/1199318435.db2.gz CMDCPORUWMILQN-DLBZAZTESA-N 2 1 380.533 0.689 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC[C@@H]21 ZINC000673014778 1199394271 /nfs/dbraw/zinc/39/42/71/1199394271.db2.gz XMEOERWNPKVOJY-SCTDSRPQSA-N 2 1 392.544 0.546 20 0 GCADMP C(=C\C[N@@H+]1CC[C@H](CN2CCOCC2)C1)\C[NH+]1CC[C@H](CN2CCOCC2)C1 ZINC000255594380 1199397529 /nfs/dbraw/zinc/39/75/29/1199397529.db2.gz MDIQYDHKULHURM-AUSJAXNVSA-N 2 1 392.588 0.851 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C[NH+](C)C)on2)CC[N@@H+]1C ZINC001003151134 1199430921 /nfs/dbraw/zinc/43/09/21/1199430921.db2.gz YYJMVUYAHUAKDY-JAJHDGGNSA-N 2 1 389.500 0.938 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc(C[NH+](C)C)on2)CC[N@H+]1C ZINC001003151134 1199430930 /nfs/dbraw/zinc/43/09/30/1199430930.db2.gz YYJMVUYAHUAKDY-JAJHDGGNSA-N 2 1 389.500 0.938 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001003188952 1199445717 /nfs/dbraw/zinc/44/57/17/1199445717.db2.gz HLCJAKZHUAKDRU-BDXSIMOUSA-N 2 1 378.517 0.297 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CC[NH+](C)CC2)C1 ZINC001003188952 1199445722 /nfs/dbraw/zinc/44/57/22/1199445722.db2.gz HLCJAKZHUAKDRU-BDXSIMOUSA-N 2 1 378.517 0.297 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001003193225 1199449064 /nfs/dbraw/zinc/44/90/64/1199449064.db2.gz JELCBHKUMQIHHY-WCXIOVBPSA-N 2 1 376.501 0.051 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001003193225 1199449067 /nfs/dbraw/zinc/44/90/67/1199449067.db2.gz JELCBHKUMQIHHY-WCXIOVBPSA-N 2 1 376.501 0.051 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138135 1199490143 /nfs/dbraw/zinc/49/01/43/1199490143.db2.gz HEOYJEQRYPYVPJ-RTBURBONSA-N 2 1 383.581 0.652 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000466138130 1199490217 /nfs/dbraw/zinc/49/02/17/1199490217.db2.gz HEOYJEQRYPYVPJ-MOPGFXCFSA-N 2 1 383.581 0.652 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C)[nH+]c1N1CCCC1 ZINC000673258100 1199506218 /nfs/dbraw/zinc/50/62/18/1199506218.db2.gz IMRBBCDAEQZMPA-UHFFFAOYSA-N 2 1 391.516 0.643 20 0 GCADMP C[C@H](CCNC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000673307733 1199533011 /nfs/dbraw/zinc/53/30/11/1199533011.db2.gz OJIPFISOGXJTEN-KURKYZTESA-N 2 1 382.549 0.983 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000673325588 1199540338 /nfs/dbraw/zinc/54/03/38/1199540338.db2.gz BCMWPGXYEGIWJX-IEBWSBKVSA-N 2 1 390.528 0.802 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000673351596 1199566929 /nfs/dbraw/zinc/56/69/29/1199566929.db2.gz KUMLOTCWLUWXFF-SFHVURJKSA-N 2 1 376.501 0.414 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673421633 1199614294 /nfs/dbraw/zinc/61/42/94/1199614294.db2.gz JXTQIOPAZRZIDQ-RGVPCPSESA-N 2 1 394.560 0.981 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673421633 1199614299 /nfs/dbraw/zinc/61/42/99/1199614299.db2.gz JXTQIOPAZRZIDQ-RGVPCPSESA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)O1 ZINC001003706200 1199639667 /nfs/dbraw/zinc/63/96/67/1199639667.db2.gz IYWCEHWXGFYCMS-OVYGPGRDSA-N 2 1 378.517 0.438 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C2([NH+](C)C)CCC2)O1 ZINC001003706200 1199639671 /nfs/dbraw/zinc/63/96/71/1199639671.db2.gz IYWCEHWXGFYCMS-OVYGPGRDSA-N 2 1 378.517 0.438 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001003807319 1199675713 /nfs/dbraw/zinc/67/57/13/1199675713.db2.gz BHNUCVGFTJPTCC-SHFYGJNESA-N 2 1 375.473 0.550 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001003807319 1199675716 /nfs/dbraw/zinc/67/57/16/1199675716.db2.gz BHNUCVGFTJPTCC-SHFYGJNESA-N 2 1 375.473 0.550 20 0 GCADMP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCO1 ZINC000673469357 1199685815 /nfs/dbraw/zinc/68/58/15/1199685815.db2.gz GUFOWMNYVHZVJX-NEWSRXKRSA-N 2 1 394.560 0.933 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000673583048 1199829462 /nfs/dbraw/zinc/82/94/62/1199829462.db2.gz MQEGIBIGIFLKJA-KSZLIROESA-N 2 1 378.517 0.081 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000673584250 1199830313 /nfs/dbraw/zinc/83/03/13/1199830313.db2.gz ICTMWJSFCLFHME-QZTJIDSGSA-N 2 1 380.533 0.423 20 0 GCADMP Cc1nc(C[NH+]2CCC(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)CC2)cs1 ZINC000428978374 1199868449 /nfs/dbraw/zinc/86/84/49/1199868449.db2.gz NWTSMJZQMPQULV-INIZCTEOSA-N 2 1 393.557 0.977 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)O1 ZINC001004396012 1199874843 /nfs/dbraw/zinc/87/48/43/1199874843.db2.gz OBJKJKCTNLHVSU-OVYGPGRDSA-N 2 1 376.501 0.049 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)O1 ZINC001004396012 1199874846 /nfs/dbraw/zinc/87/48/46/1199874846.db2.gz OBJKJKCTNLHVSU-OVYGPGRDSA-N 2 1 376.501 0.049 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672323 1199926715 /nfs/dbraw/zinc/92/67/15/1199926715.db2.gz CBZWHJJNFKODRG-IRLDBZIGSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672323 1199926716 /nfs/dbraw/zinc/92/67/16/1199926716.db2.gz CBZWHJJNFKODRG-IRLDBZIGSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672323 1199926717 /nfs/dbraw/zinc/92/67/17/1199926717.db2.gz CBZWHJJNFKODRG-IRLDBZIGSA-N 2 1 386.540 0.862 20 0 GCADMP Cc1c(C(=O)NCC2(O)CC[NH+](C)CC2)nnn1-c1cccc2c1CC[N@@H+](C)C2 ZINC000673842352 1199960429 /nfs/dbraw/zinc/96/04/29/1199960429.db2.gz BDIKJIVWDVITJW-UHFFFAOYSA-N 2 1 398.511 0.750 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000625525491 1199999181 /nfs/dbraw/zinc/99/91/81/1199999181.db2.gz VHICTGBLXLUNJH-GOSISDBHSA-N 2 1 394.560 0.888 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000625525491 1199999183 /nfs/dbraw/zinc/99/91/83/1199999183.db2.gz VHICTGBLXLUNJH-GOSISDBHSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)O1 ZINC001004912206 1200009847 /nfs/dbraw/zinc/00/98/47/1200009847.db2.gz GEVZIEZRUFMKDE-HSFUPAIVSA-N 2 1 392.544 0.828 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C3)O1 ZINC001004912206 1200009849 /nfs/dbraw/zinc/00/98/49/1200009849.db2.gz GEVZIEZRUFMKDE-HSFUPAIVSA-N 2 1 392.544 0.828 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000265912451 1200090371 /nfs/dbraw/zinc/09/03/71/1200090371.db2.gz FEBZZAOBLNRZGJ-UHFFFAOYSA-N 2 1 390.532 0.350 20 0 GCADMP CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000543578714 1200169191 /nfs/dbraw/zinc/16/91/91/1200169191.db2.gz WKIMXRVGSQTXHS-ROUUACIJSA-N 2 1 380.533 0.548 20 0 GCADMP CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000543578714 1200169198 /nfs/dbraw/zinc/16/91/98/1200169198.db2.gz WKIMXRVGSQTXHS-ROUUACIJSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000676277606 1200526118 /nfs/dbraw/zinc/52/61/18/1200526118.db2.gz AOAHJWDAIWYYOJ-YOEHRIQHSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676277606 1200526128 /nfs/dbraw/zinc/52/61/28/1200526128.db2.gz AOAHJWDAIWYYOJ-YOEHRIQHSA-N 2 1 378.473 0.401 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000625748432 1200600234 /nfs/dbraw/zinc/60/02/34/1200600234.db2.gz YMLPZORZBVDRNH-KRWDZBQOSA-N 2 1 380.533 0.498 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000625748432 1200600242 /nfs/dbraw/zinc/60/02/42/1200600242.db2.gz YMLPZORZBVDRNH-KRWDZBQOSA-N 2 1 380.533 0.498 20 0 GCADMP CN(C)c1nc(C[N@H+](C)[C@@H]2CCN(C(=O)NCC3([NH+](C)C)CC3)C2)cc(=O)[nH]1 ZINC000922994640 1200699946 /nfs/dbraw/zinc/69/99/46/1200699946.db2.gz VICUWNMHEZRHKE-OAHLLOKOSA-N 2 1 391.520 0.558 20 0 GCADMP CN(C)c1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)NCC3([NH+](C)C)CC3)C2)cc(=O)[nH]1 ZINC000922994640 1200699951 /nfs/dbraw/zinc/69/99/51/1200699951.db2.gz VICUWNMHEZRHKE-OAHLLOKOSA-N 2 1 391.520 0.558 20 0 GCADMP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000377034707 1200705657 /nfs/dbraw/zinc/70/56/57/1200705657.db2.gz XIKXIPDEKFFQKY-WMZOPIPTSA-N 2 1 398.511 1.162 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000477087297 1200820548 /nfs/dbraw/zinc/82/05/48/1200820548.db2.gz WDASYSSPJHTYDI-GBESFXJTSA-N 2 1 395.592 0.850 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000477101761 1200825793 /nfs/dbraw/zinc/82/57/93/1200825793.db2.gz RLDIUWRKKUAQJX-XLAORIBOSA-N 2 1 382.549 0.933 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(NC)nc1 ZINC000415124110 1200898554 /nfs/dbraw/zinc/89/85/54/1200898554.db2.gz NUONLYDTLSIDPI-MRXNPFEDSA-N 2 1 376.505 0.936 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376079541 1200901507 /nfs/dbraw/zinc/90/15/07/1200901507.db2.gz HLRKZSGPWRHMRR-KRWDZBQOSA-N 2 1 391.564 1.545 20 0 GCADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427274587 1200904402 /nfs/dbraw/zinc/90/44/02/1200904402.db2.gz JKRAYYQPCWEMEV-LSDHHAIUSA-N 2 1 376.505 1.029 20 0 GCADMP CC[N@H+]1C[C@@H](C)N(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000427274587 1200904406 /nfs/dbraw/zinc/90/44/06/1200904406.db2.gz JKRAYYQPCWEMEV-LSDHHAIUSA-N 2 1 376.505 1.029 20 0 GCADMP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283317 1200924879 /nfs/dbraw/zinc/92/48/79/1200924879.db2.gz UVCFPMIPBDNREX-ZWKOTPCHSA-N 2 1 391.512 0.969 20 0 GCADMP CCOc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000923283314 1200924990 /nfs/dbraw/zinc/92/49/90/1200924990.db2.gz UVCFPMIPBDNREX-QZTJIDSGSA-N 2 1 391.512 0.969 20 0 GCADMP Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)[nH+]c1 ZINC000446740631 1200935736 /nfs/dbraw/zinc/93/57/36/1200935736.db2.gz GEDDPLUKZCPZNE-UHFFFAOYSA-N 2 1 399.499 0.872 20 0 GCADMP Cc1ccc(NCCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)[nH+]c1 ZINC000417073611 1200939537 /nfs/dbraw/zinc/93/95/37/1200939537.db2.gz YHJHMVQCERQJDQ-KRWDZBQOSA-N 2 1 388.516 1.045 20 0 GCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000923489110 1201043425 /nfs/dbraw/zinc/04/34/25/1201043425.db2.gz OEAFJOKOGWXPSL-OAHLLOKOSA-N 2 1 398.504 0.329 20 0 GCADMP COc1cc2[nH+]c(NC[C@H](O)C[NH+]3CCC(C)CC3)nc(N)c2cc1OC ZINC000427372484 1201135294 /nfs/dbraw/zinc/13/52/94/1201135294.db2.gz NQWMRCXZJGBGBK-ZDUSSCGKSA-N 2 1 375.473 1.156 20 0 GCADMP COc1ccc([C@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000923577898 1201151876 /nfs/dbraw/zinc/15/18/76/1201151876.db2.gz AIVJOMCYICXWKM-SFHVURJKSA-N 2 1 382.530 0.962 20 0 GCADMP Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000923590697 1201171830 /nfs/dbraw/zinc/17/18/30/1201171830.db2.gz ZXQFURRVZCWPHW-UHFFFAOYSA-N 2 1 381.546 0.247 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000136815545 1201188200 /nfs/dbraw/zinc/18/82/00/1201188200.db2.gz XWEQUXAPVXYJII-FQEVSTJZSA-N 2 1 399.539 0.993 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCCNC(=O)C(F)(F)F)[C@@H]2C)CC[N@H+]1C ZINC001691676365 1201252695 /nfs/dbraw/zinc/25/26/95/1201252695.db2.gz QJWHQHYPSBDUST-SYQHCUMBSA-N 2 1 378.439 0.974 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[N@H+](CCCNC(=O)C(F)(F)F)[C@@H]2C)CC[NH+]1C ZINC001691676365 1201252697 /nfs/dbraw/zinc/25/26/97/1201252697.db2.gz QJWHQHYPSBDUST-SYQHCUMBSA-N 2 1 378.439 0.974 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2C)CC[N@@H+]1C ZINC001079730549 1201255766 /nfs/dbraw/zinc/25/57/66/1201255766.db2.gz BGKKEPGRKFFYIC-XLNGHYISSA-N 2 1 386.500 0.689 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2C)CC[N@H+]1C ZINC001079730549 1201255769 /nfs/dbraw/zinc/25/57/69/1201255769.db2.gz BGKKEPGRKFFYIC-XLNGHYISSA-N 2 1 386.500 0.689 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2C)CC[NH+]1C ZINC001079730549 1201255774 /nfs/dbraw/zinc/25/57/74/1201255774.db2.gz BGKKEPGRKFFYIC-XLNGHYISSA-N 2 1 386.500 0.689 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3cc(=O)n4nccc4[nH]3)C[C@H]2C)CC[NH+]1C ZINC001079730549 1201255778 /nfs/dbraw/zinc/25/57/78/1201255778.db2.gz BGKKEPGRKFFYIC-XLNGHYISSA-N 2 1 386.500 0.689 20 0 GCADMP CNC(=O)c1cccc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081694495 1201299066 /nfs/dbraw/zinc/29/90/66/1201299066.db2.gz FWPHHYMKSXMYQC-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1cccc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081694495 1201299073 /nfs/dbraw/zinc/29/90/73/1201299073.db2.gz FWPHHYMKSXMYQC-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081694495 1201299078 /nfs/dbraw/zinc/29/90/78/1201299078.db2.gz FWPHHYMKSXMYQC-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1cccc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H](OC)C2)c1 ZINC001081694495 1201299084 /nfs/dbraw/zinc/29/90/84/1201299084.db2.gz FWPHHYMKSXMYQC-UTRMSSBJSA-N 2 1 388.512 0.702 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)[C@H](C)C1 ZINC000495365196 1201301825 /nfs/dbraw/zinc/30/18/25/1201301825.db2.gz ZUQCIXBLGLBREW-HZPDHXFCSA-N 2 1 383.537 0.026 20 0 GCADMP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000497513469 1201404043 /nfs/dbraw/zinc/40/40/43/1201404043.db2.gz ZPXIMOHDWURISN-JAVUXZIZSA-N 2 1 380.577 0.699 20 0 GCADMP Cc1noc(CCC[N@@H+]2CC[C@@H]3CN(C(=O)[C@H]4CN(C)C[C@@H](C)O4)[C@@H]3C2)n1 ZINC001084447264 1201412069 /nfs/dbraw/zinc/41/20/69/1201412069.db2.gz GMZZDZDTQKJJOS-MWQQHZPXSA-N 2 1 377.489 0.562 20 0 GCADMP C[NH+](C)CCNC(=S)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000730950513 1201468583 /nfs/dbraw/zinc/46/85/83/1201468583.db2.gz PLAPWQMAIHKYBM-QGZVFWFLSA-N 2 1 377.558 0.910 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4C(=O)CNC4=O)[C@H]3C2)CC[N@H+]1C ZINC001084943935 1201503058 /nfs/dbraw/zinc/50/30/58/1201503058.db2.gz IQIYGGGHDDJVFD-VQHPVUNQSA-N 2 1 391.516 0.191 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCCN4C(=O)CNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084943935 1201503060 /nfs/dbraw/zinc/50/30/60/1201503060.db2.gz IQIYGGGHDDJVFD-VQHPVUNQSA-N 2 1 391.516 0.191 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCN4C(=O)CNC4=O)[C@H]3C2)CC[NH+]1C ZINC001084943935 1201503061 /nfs/dbraw/zinc/50/30/61/1201503061.db2.gz IQIYGGGHDDJVFD-VQHPVUNQSA-N 2 1 391.516 0.191 20 0 GCADMP C[NH+](C)CC1(O)CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000823684317 1201606814 /nfs/dbraw/zinc/60/68/14/1201606814.db2.gz PSMUXNNKHRBKDS-UHFFFAOYSA-N 2 1 376.501 0.850 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)CC[N@@H+]1C ZINC001085203824 1201633988 /nfs/dbraw/zinc/63/39/88/1201633988.db2.gz DMTRDEMUFCVEPB-KLHDSHLOSA-N 2 1 376.505 0.666 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]Cc2nnc3n2CCOC3)CC[N@H+]1C ZINC001085203824 1201633991 /nfs/dbraw/zinc/63/39/91/1201633991.db2.gz DMTRDEMUFCVEPB-KLHDSHLOSA-N 2 1 376.505 0.666 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734267647 1201648742 /nfs/dbraw/zinc/64/87/42/1201648742.db2.gz NEBSAWSRLLHNQP-LJQANCHMSA-N 2 1 381.565 0.955 20 0 GCADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734487840 1201653433 /nfs/dbraw/zinc/65/34/33/1201653433.db2.gz WPFHRALXMFCZJO-APVMCDBPSA-N 2 1 396.557 0.678 20 0 GCADMP COC(=O)/C=C1/SCC(=O)N1CCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487840 1201653436 /nfs/dbraw/zinc/65/34/36/1201653436.db2.gz WPFHRALXMFCZJO-APVMCDBPSA-N 2 1 396.557 0.678 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000735588762 1201693939 /nfs/dbraw/zinc/69/39/39/1201693939.db2.gz CKWXUGUKEQSPRR-JKSUJKDBSA-N 2 1 390.484 0.675 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000735588752 1201693973 /nfs/dbraw/zinc/69/39/73/1201693973.db2.gz CKWXUGUKEQSPRR-HOTGVXAUSA-N 2 1 390.484 0.675 20 0 GCADMP COC(=O)CC[N@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CCOCC1 ZINC000743403792 1201817221 /nfs/dbraw/zinc/81/72/21/1201817221.db2.gz BHYYRPQEYDAZAE-UHFFFAOYSA-N 2 1 382.461 0.004 20 0 GCADMP COC(=O)CC[N@@H+](CN1C(=O)NC2(CC[NH+](C)CC2)C1=O)C1CCOCC1 ZINC000743403792 1201817223 /nfs/dbraw/zinc/81/72/23/1201817223.db2.gz BHYYRPQEYDAZAE-UHFFFAOYSA-N 2 1 382.461 0.004 20 0 GCADMP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001006290859 1201817576 /nfs/dbraw/zinc/81/75/76/1201817576.db2.gz YFGADEQNQKZSBK-TVFCKZIOSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001006290859 1201817577 /nfs/dbraw/zinc/81/75/77/1201817577.db2.gz YFGADEQNQKZSBK-TVFCKZIOSA-N 2 1 378.517 0.299 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNS(=O)(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000923603650 1201897559 /nfs/dbraw/zinc/89/75/59/1201897559.db2.gz OPCXILNYKQTYSN-SFHVURJKSA-N 2 1 385.530 0.815 20 0 GCADMP CCC[C@@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC[N@H+]1CCOC ZINC000766377362 1201920985 /nfs/dbraw/zinc/92/09/85/1201920985.db2.gz AETHUIXVOBLXOW-MRXNPFEDSA-N 2 1 381.521 0.393 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1-n1nc(CC[NH3+])nc1C ZINC001168986394 1201930145 /nfs/dbraw/zinc/93/01/45/1201930145.db2.gz ZQJWEUBRURSYMV-AWEZNQCLSA-N 2 1 390.488 0.578 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC[NH+](C)CC1 ZINC001169165029 1201933881 /nfs/dbraw/zinc/93/38/81/1201933881.db2.gz YNUZRKSTINOJDJ-AWEZNQCLSA-N 2 1 376.505 0.676 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C1CC[NH+](C)CC1 ZINC001169165031 1201934168 /nfs/dbraw/zinc/93/41/68/1201934168.db2.gz YNUZRKSTINOJDJ-CQSZACIVSA-N 2 1 376.505 0.676 20 0 GCADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169162256 1201934234 /nfs/dbraw/zinc/93/42/34/1201934234.db2.gz KZNVSBURWCKCPN-AWEZNQCLSA-N 2 1 387.488 0.787 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC001169197621 1201936259 /nfs/dbraw/zinc/93/62/59/1201936259.db2.gz WEWQVUXUZPFKPP-XHSDSOJGSA-N 2 1 390.532 0.922 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001169197621 1201936260 /nfs/dbraw/zinc/93/62/60/1201936260.db2.gz WEWQVUXUZPFKPP-XHSDSOJGSA-N 2 1 390.532 0.922 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC001169170675 1201936848 /nfs/dbraw/zinc/93/68/48/1201936848.db2.gz ZXLSWYCLFCHRMP-HOTGVXAUSA-N 2 1 390.532 0.924 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398618 1201946154 /nfs/dbraw/zinc/94/61/54/1201946154.db2.gz SALNCVGGOFBVAA-XMTFNYHQSA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398618 1201946155 /nfs/dbraw/zinc/94/61/55/1201946155.db2.gz SALNCVGGOFBVAA-XMTFNYHQSA-N 2 1 397.516 0.208 20 0 GCADMP CCOC(=O)[C@H]1CC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)CO1 ZINC001169398618 1201946157 /nfs/dbraw/zinc/94/61/57/1201946157.db2.gz SALNCVGGOFBVAA-XMTFNYHQSA-N 2 1 397.516 0.208 20 0 GCADMP CCN(CC)C(=O)C[C@H](C)[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472460 1201949661 /nfs/dbraw/zinc/94/96/61/1201949661.db2.gz QXFHXWWMIHHNDW-RCCFBDPRSA-N 2 1 382.549 0.744 20 0 GCADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472460 1201949662 /nfs/dbraw/zinc/94/96/62/1201949662.db2.gz QXFHXWWMIHHNDW-RCCFBDPRSA-N 2 1 382.549 0.744 20 0 GCADMP CCN(CC)C(=O)C[C@H](C)[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001169472460 1201949664 /nfs/dbraw/zinc/94/96/64/1201949664.db2.gz QXFHXWWMIHHNDW-RCCFBDPRSA-N 2 1 382.549 0.744 20 0 GCADMP C[C@H]1C[N@@H+](CCc2ccc(S(N)(=O)=O)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000767612677 1201979333 /nfs/dbraw/zinc/97/93/33/1201979333.db2.gz QUIPDUUIBDOUPD-LPHOPBHVSA-N 2 1 380.558 0.834 20 0 GCADMP C[C@H](C(=O)N(C)C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449417 1202052414 /nfs/dbraw/zinc/05/24/14/1202052414.db2.gz UKHSJLAHMBZCDN-NCOADZHNSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@H](C(=O)N(C)C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C[NH+]1CCOCC1)C2 ZINC001109449417 1202052415 /nfs/dbraw/zinc/05/24/15/1202052415.db2.gz UKHSJLAHMBZCDN-NCOADZHNSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001109444042 1202052469 /nfs/dbraw/zinc/05/24/69/1202052469.db2.gz QBHUMNJCHAFOMK-BARDWOONSA-N 2 1 379.505 0.379 20 0 GCADMP CC[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)NC(C)(C)C1=O)[NH+](C)C ZINC001109444042 1202052472 /nfs/dbraw/zinc/05/24/72/1202052472.db2.gz QBHUMNJCHAFOMK-BARDWOONSA-N 2 1 379.505 0.379 20 0 GCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COCC(F)(F)F ZINC001109932176 1202152611 /nfs/dbraw/zinc/15/26/11/1202152611.db2.gz DOGXOGFZCNTPDO-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109932176 1202152614 /nfs/dbraw/zinc/15/26/14/1202152614.db2.gz DOGXOGFZCNTPDO-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COCC(F)(F)F ZINC001109932176 1202152616 /nfs/dbraw/zinc/15/26/16/1202152616.db2.gz DOGXOGFZCNTPDO-KBXIAJHMSA-N 2 1 381.439 0.990 20 0 GCADMP CC(C)N(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C(C)C ZINC001109977783 1202165375 /nfs/dbraw/zinc/16/53/75/1202165375.db2.gz ZICPFHAXGCWSON-SQNIBIBYSA-N 2 1 382.549 0.932 20 0 GCADMP CC(C)N(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2)C(C)C ZINC001109977783 1202165377 /nfs/dbraw/zinc/16/53/77/1202165377.db2.gz ZICPFHAXGCWSON-SQNIBIBYSA-N 2 1 382.549 0.932 20 0 GCADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980482 1202165921 /nfs/dbraw/zinc/16/59/21/1202165921.db2.gz OOCZKCJVQBRYMI-BGTYHANMSA-N 2 1 382.549 0.979 20 0 GCADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980482 1202165924 /nfs/dbraw/zinc/16/59/24/1202165924.db2.gz OOCZKCJVQBRYMI-BGTYHANMSA-N 2 1 382.549 0.979 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCN(C(C)(C)C)C1=O ZINC001109980682 1202166606 /nfs/dbraw/zinc/16/66/06/1202166606.db2.gz WJLAEBBSDZPZBT-LTIDMASMSA-N 2 1 380.533 0.686 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCN(C(C)(C)C)C1=O ZINC001109980682 1202166608 /nfs/dbraw/zinc/16/66/08/1202166608.db2.gz WJLAEBBSDZPZBT-LTIDMASMSA-N 2 1 380.533 0.686 20 0 GCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110017990 1202176231 /nfs/dbraw/zinc/17/62/31/1202176231.db2.gz WMIOHLZZJLWNGY-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110017990 1202176232 /nfs/dbraw/zinc/17/62/32/1202176232.db2.gz WMIOHLZZJLWNGY-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110017990 1202176233 /nfs/dbraw/zinc/17/62/33/1202176233.db2.gz WMIOHLZZJLWNGY-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@H](C)C1 ZINC001110017990 1202176234 /nfs/dbraw/zinc/17/62/34/1202176234.db2.gz WMIOHLZZJLWNGY-BDXSIMOUSA-N 2 1 380.533 0.687 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(F)cc1 ZINC000787633476 1205396058 /nfs/dbraw/zinc/39/60/58/1205396058.db2.gz BHJUUMNFEJEVSU-RCCFBDPRSA-N 2 1 392.475 0.524 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910568 1205407014 /nfs/dbraw/zinc/40/70/14/1205407014.db2.gz ONZYQTSVHOUDJC-SQNIBIBYSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787910568 1205407017 /nfs/dbraw/zinc/40/70/17/1205407017.db2.gz ONZYQTSVHOUDJC-SQNIBIBYSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787910568 1205407020 /nfs/dbraw/zinc/40/70/20/1205407020.db2.gz ONZYQTSVHOUDJC-SQNIBIBYSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787901135 1205409084 /nfs/dbraw/zinc/40/90/84/1205409084.db2.gz AINCGAXVCIHBPX-KURKYZTESA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787901135 1205409087 /nfs/dbraw/zinc/40/90/87/1205409087.db2.gz AINCGAXVCIHBPX-KURKYZTESA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787901135 1205409090 /nfs/dbraw/zinc/40/90/90/1205409090.db2.gz AINCGAXVCIHBPX-KURKYZTESA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000793702063 1205504387 /nfs/dbraw/zinc/50/43/87/1205504387.db2.gz RXPSMYCTYWTJPA-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702998 1205504651 /nfs/dbraw/zinc/50/46/51/1205504651.db2.gz VNMDGLWGVQTAKB-SJORKVTESA-N 2 1 379.549 0.262 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702998 1205504652 /nfs/dbraw/zinc/50/46/52/1205504652.db2.gz VNMDGLWGVQTAKB-SJORKVTESA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793916162 1205509399 /nfs/dbraw/zinc/50/93/99/1205509399.db2.gz XNZSIJGLIYENGH-XDNAFOTISA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000793916162 1205509401 /nfs/dbraw/zinc/50/94/01/1205509401.db2.gz XNZSIJGLIYENGH-XDNAFOTISA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000793916162 1205509404 /nfs/dbraw/zinc/50/94/04/1205509404.db2.gz XNZSIJGLIYENGH-XDNAFOTISA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793916164 1205509486 /nfs/dbraw/zinc/50/94/86/1205509486.db2.gz XNZSIJGLIYENGH-XMTFNYHQSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000793916164 1205509487 /nfs/dbraw/zinc/50/94/87/1205509487.db2.gz XNZSIJGLIYENGH-XMTFNYHQSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000793916164 1205509488 /nfs/dbraw/zinc/50/94/88/1205509488.db2.gz XNZSIJGLIYENGH-XMTFNYHQSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000793915351 1205509500 /nfs/dbraw/zinc/50/95/00/1205509500.db2.gz XSGIMLPBKYKAKA-FLXSYLCISA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000793915351 1205509501 /nfs/dbraw/zinc/50/95/01/1205509501.db2.gz XSGIMLPBKYKAKA-FLXSYLCISA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000793915351 1205509502 /nfs/dbraw/zinc/50/95/02/1205509502.db2.gz XSGIMLPBKYKAKA-FLXSYLCISA-N 2 1 380.533 0.448 20 0 GCADMP COCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001129858266 1205521126 /nfs/dbraw/zinc/52/11/26/1205521126.db2.gz SQJOPCWPVNFXMA-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOC3CCC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129854830 1205521267 /nfs/dbraw/zinc/52/12/67/1205521267.db2.gz ANRXIDOGLFNBJX-DDBAPUKQSA-N 2 1 376.505 0.529 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)O1 ZINC001129912650 1205522977 /nfs/dbraw/zinc/52/29/77/1205522977.db2.gz UAYDHPNGTAHNJQ-WCXIOVBPSA-N 2 1 382.484 0.479 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]([NH2+]CCCCCF)[C@@H](n3ccnn3)C2)O1 ZINC001129912650 1205522979 /nfs/dbraw/zinc/52/29/79/1205522979.db2.gz UAYDHPNGTAHNJQ-WCXIOVBPSA-N 2 1 382.484 0.479 20 0 GCADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000806505206 1205558093 /nfs/dbraw/zinc/55/80/93/1205558093.db2.gz VZBDXEBXRNUIMX-BZSNNMDCSA-N 2 1 379.549 0.214 20 0 GCADMP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)nc12 ZINC000806537729 1205558342 /nfs/dbraw/zinc/55/83/42/1205558342.db2.gz VCZRVFVZHNCOQT-DLBZAZTESA-N 2 1 385.468 0.281 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000807685445 1205588311 /nfs/dbraw/zinc/58/83/11/1205588311.db2.gz PBEIHCRUQDKSJQ-BFWZDYSYSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000807685445 1205588312 /nfs/dbraw/zinc/58/83/12/1205588312.db2.gz PBEIHCRUQDKSJQ-BFWZDYSYSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]Cc3nnc4n3CCOC4)C2)CC[N@H+]1C ZINC001086700002 1205660092 /nfs/dbraw/zinc/66/00/92/1205660092.db2.gz RQCCOGYLQPDPMZ-QKPAOTATSA-N 2 1 376.505 0.523 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)N3CCOCC3)C2)CC[N@H+]1C ZINC001086700853 1205660542 /nfs/dbraw/zinc/66/05/42/1205660542.db2.gz PNWIBCJXHLCCDW-XWTMOSNGSA-N 2 1 380.533 0.450 20 0 GCADMP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000773327643 1205707511 /nfs/dbraw/zinc/70/75/11/1205707511.db2.gz DJUFGCFTXDZVOZ-SFHVURJKSA-N 2 1 380.489 0.871 20 0 GCADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000773327643 1205707512 /nfs/dbraw/zinc/70/75/12/1205707512.db2.gz DJUFGCFTXDZVOZ-SFHVURJKSA-N 2 1 380.489 0.871 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172023522 1205712193 /nfs/dbraw/zinc/71/21/93/1205712193.db2.gz WJGVLVLGJBZYCP-QGZVFWFLSA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CCN(C4CC4)C(=O)C2)CC3)CC1 ZINC001172023522 1205712194 /nfs/dbraw/zinc/71/21/94/1205712194.db2.gz WJGVLVLGJBZYCP-QGZVFWFLSA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172172363 1205713516 /nfs/dbraw/zinc/71/35/16/1205713516.db2.gz PKFBMHSYKFKLIK-ZIAGYGMSSA-N 2 1 375.473 0.478 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@@H]1CCN3C(=O)CC[C@@H]3C1)CC2 ZINC001172172363 1205713517 /nfs/dbraw/zinc/71/35/17/1205713517.db2.gz PKFBMHSYKFKLIK-ZIAGYGMSSA-N 2 1 375.473 0.478 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001172252354 1205715117 /nfs/dbraw/zinc/71/51/17/1205715117.db2.gz RPWUDUVFZMPJIU-BHIYHBOVSA-N 2 1 389.500 0.407 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3cnccn3)[C@H]3COC[C@H]32)CC1 ZINC001172252354 1205715118 /nfs/dbraw/zinc/71/51/18/1205715118.db2.gz RPWUDUVFZMPJIU-BHIYHBOVSA-N 2 1 389.500 0.407 20 0 GCADMP COC(=O)N1CCC([N@@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001172738874 1205716951 /nfs/dbraw/zinc/71/69/51/1205716951.db2.gz TYQUGSYPYRCDQA-UHFFFAOYSA-N 2 1 388.516 0.860 20 0 GCADMP COC(=O)N1CCC([N@H+]2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)CC1 ZINC001172738874 1205716953 /nfs/dbraw/zinc/71/69/53/1205716953.db2.gz TYQUGSYPYRCDQA-UHFFFAOYSA-N 2 1 388.516 0.860 20 0 GCADMP CC[N@H+]1CC[C@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001173359412 1205720002 /nfs/dbraw/zinc/72/00/02/1205720002.db2.gz MRPXTDJPFQCGEO-LBPRGKRZSA-N 2 1 382.490 0.332 20 0 GCADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@@H](C(=O)OC)C1 ZINC001173494038 1205722663 /nfs/dbraw/zinc/72/26/63/1205722663.db2.gz AOOJAVHKNLNYGY-BZUAXINKSA-N 2 1 377.441 0.170 20 0 GCADMP CC[C@]1(C(=O)OC)C[C@H]([NH2+]C[C@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001173520092 1205723060 /nfs/dbraw/zinc/72/30/60/1205723060.db2.gz OYFHGRIVLJQYQE-ZJNRKIDTSA-N 2 1 387.477 0.655 20 0 GCADMP C[NH+](C)CCn1c(=O)ccc2c1CC[N@H+]([C@H]1CCC[C@@H](n3ncnn3)C1)CC2 ZINC001173749973 1205727260 /nfs/dbraw/zinc/72/72/60/1205727260.db2.gz DJAHNQOITLWWSY-ZWKOTPCHSA-N 2 1 385.516 0.981 20 0 GCADMP CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)c2cc3n(n2)CCCN(C)C3)CC1 ZINC001175104117 1205734803 /nfs/dbraw/zinc/73/48/03/1205734803.db2.gz CFKJNKATNAOSEN-SHTZXODSSA-N 2 1 376.505 0.437 20 0 GCADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110188505 1205739982 /nfs/dbraw/zinc/73/99/82/1205739982.db2.gz DEUDUMRWIOPTDW-LTIDMASMSA-N 2 1 376.501 0.779 20 0 GCADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC001110188505 1205739983 /nfs/dbraw/zinc/73/99/83/1205739983.db2.gz DEUDUMRWIOPTDW-LTIDMASMSA-N 2 1 376.501 0.779 20 0 GCADMP Cn1nnc2c1CCN(C(=O)[C@@H]1CCCC[N@H+]1C)[C@@H]2COCC[NH+]1CCCC1 ZINC001178691659 1205792148 /nfs/dbraw/zinc/79/21/48/1205792148.db2.gz GJZFIXBVWLJXKU-ZWKOTPCHSA-N 2 1 390.532 0.838 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001178947975 1205797152 /nfs/dbraw/zinc/79/71/52/1205797152.db2.gz DPOWDFWGDLKHPZ-MJGOQNOKSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001178947975 1205797153 /nfs/dbraw/zinc/79/71/53/1205797153.db2.gz DPOWDFWGDLKHPZ-MJGOQNOKSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001178947977 1205797209 /nfs/dbraw/zinc/79/72/09/1205797209.db2.gz DPOWDFWGDLKHPZ-PKOBYXMFSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+]1CCN(CC(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001178947977 1205797210 /nfs/dbraw/zinc/79/72/10/1205797210.db2.gz DPOWDFWGDLKHPZ-PKOBYXMFSA-N 2 1 376.476 0.737 20 0 GCADMP C[NH+]1CCN(CC(=O)N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001178948860 1205797426 /nfs/dbraw/zinc/79/74/26/1205797426.db2.gz PHEIOVIUYFAHFO-BEFAXECRSA-N 2 1 377.464 0.322 20 0 GCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N(C(N)=[NH2+])c3cc(C)[nH]n3)CC2)CC1 ZINC001179017240 1205798057 /nfs/dbraw/zinc/79/80/57/1205798057.db2.gz GHXYRHSWHFYVRG-UHFFFAOYSA-N 2 1 375.477 0.667 20 0 GCADMP COCC[NH+]1CCN(C(=O)C2CC[NH+](C3CCN(C(C)=O)CC3)CC2)CC1 ZINC001179011277 1205799454 /nfs/dbraw/zinc/79/94/54/1205799454.db2.gz VYQYICZQVMFWPO-UHFFFAOYSA-N 2 1 380.533 0.500 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001180408699 1205824711 /nfs/dbraw/zinc/82/47/11/1205824711.db2.gz KPYVLZZKBAEGHY-DLBZAZTESA-N 2 1 383.452 0.691 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001181983016 1205852617 /nfs/dbraw/zinc/85/26/17/1205852617.db2.gz MJBNOIKALYIXFN-OAHLLOKOSA-N 2 1 380.514 0.663 20 0 GCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)CC1 ZINC001182032825 1205854057 /nfs/dbraw/zinc/85/40/57/1205854057.db2.gz UYCGZWHWTGPRQK-AEFFLSMTSA-N 2 1 377.460 0.946 20 0 GCADMP CO[C@@H]1CCN(C(=O)C2(O)CC[NH+](C)CC2)[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21 ZINC001182033743 1205854075 /nfs/dbraw/zinc/85/40/75/1205854075.db2.gz ZANNFUHXFKHQAM-IPMKNSEASA-N 2 1 388.512 0.586 20 0 GCADMP C[NH+]1CCC(O)(C(=O)N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)CC1 ZINC001182032828 1205854084 /nfs/dbraw/zinc/85/40/84/1205854084.db2.gz UYCGZWHWTGPRQK-FUHWJXTLSA-N 2 1 377.460 0.946 20 0 GCADMP NC(=[NH2+])N(CCCC[NH3+])C(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O ZINC001183426829 1205892256 /nfs/dbraw/zinc/89/22/56/1205892256.db2.gz UYIFUXIKIMVWSW-UHFFFAOYSA-N 2 1 392.847 0.785 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001183557368 1205894831 /nfs/dbraw/zinc/89/48/31/1205894831.db2.gz PSYAVEVWRYPAKU-IBGZPJMESA-N 2 1 378.517 0.302 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001183557368 1205894835 /nfs/dbraw/zinc/89/48/35/1205894835.db2.gz PSYAVEVWRYPAKU-IBGZPJMESA-N 2 1 378.517 0.302 20 0 GCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)C1(CCOC)CCS(=O)(=O)CC1 ZINC001184561843 1205911629 /nfs/dbraw/zinc/91/16/29/1205911629.db2.gz GNPCQWAKHXDCRP-UHFFFAOYSA-N 2 1 376.523 0.282 20 0 GCADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CO)[N@H+](C)Cc2ccccc2)CC1 ZINC001185244139 1205918658 /nfs/dbraw/zinc/91/86/58/1205918658.db2.gz LKAPTZLWCWWGGA-KRWDZBQOSA-N 2 1 377.485 0.752 20 0 GCADMP CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](CO)[N@@H+](C)Cc2ccccc2)CC1 ZINC001185244139 1205918659 /nfs/dbraw/zinc/91/86/59/1205918659.db2.gz LKAPTZLWCWWGGA-KRWDZBQOSA-N 2 1 377.485 0.752 20 0 GCADMP CN1CC[N@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001185250000 1205918759 /nfs/dbraw/zinc/91/87/59/1205918759.db2.gz BOILMKQECHXXCL-QOKNQOGYSA-N 2 1 377.464 0.321 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001185250000 1205918761 /nfs/dbraw/zinc/91/87/61/1205918761.db2.gz BOILMKQECHXXCL-QOKNQOGYSA-N 2 1 377.464 0.321 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1C(=O)N(Cc1cnc2n1CC[NH2+]CC2)c1ccccn1 ZINC001185250108 1205919023 /nfs/dbraw/zinc/91/90/23/1205919023.db2.gz COINYZKNNMDSGK-QGZVFWFLSA-N 2 1 383.500 0.203 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251363 1205919160 /nfs/dbraw/zinc/91/91/60/1205919160.db2.gz NPBQANYWOZKJHB-NEWSRXKRSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251363 1205919162 /nfs/dbraw/zinc/91/91/62/1205919162.db2.gz NPBQANYWOZKJHB-NEWSRXKRSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251363 1205919163 /nfs/dbraw/zinc/91/91/63/1205919163.db2.gz NPBQANYWOZKJHB-NEWSRXKRSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251366 1205919510 /nfs/dbraw/zinc/91/95/10/1205919510.db2.gz NPBQANYWOZKJHB-WDSOQIARSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251366 1205919512 /nfs/dbraw/zinc/91/95/12/1205919512.db2.gz NPBQANYWOZKJHB-WDSOQIARSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001185251366 1205919513 /nfs/dbraw/zinc/91/95/13/1205919513.db2.gz NPBQANYWOZKJHB-WDSOQIARSA-N 2 1 376.476 0.735 20 0 GCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000774865222 1205921776 /nfs/dbraw/zinc/92/17/76/1205921776.db2.gz HNQCGWXNFIGLRD-ZACQAIPSSA-N 2 1 390.484 0.512 20 0 GCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000774865222 1205921778 /nfs/dbraw/zinc/92/17/78/1205921778.db2.gz HNQCGWXNFIGLRD-ZACQAIPSSA-N 2 1 390.484 0.512 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)C[N@@H+]3CC[C@H](O)C3)C2)CC1 ZINC001186044992 1205934085 /nfs/dbraw/zinc/93/40/85/1205934085.db2.gz NYJVJFVBINUJBX-IRXDYDNUSA-N 2 1 396.532 0.643 20 0 GCADMP CC(C)(C)OC(=O)NC1CC[NH+]([C@H]2CCN(C(=O)C[N@H+]3CC[C@H](O)C3)C2)CC1 ZINC001186044992 1205934087 /nfs/dbraw/zinc/93/40/87/1205934087.db2.gz NYJVJFVBINUJBX-IRXDYDNUSA-N 2 1 396.532 0.643 20 0 GCADMP COC(=O)c1cccc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC001186055090 1205934376 /nfs/dbraw/zinc/93/43/76/1205934376.db2.gz KLCGTGRLUDZNAB-SFHVURJKSA-N 2 1 375.469 0.620 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000775045499 1205945249 /nfs/dbraw/zinc/94/52/49/1205945249.db2.gz UGEXVJSQWUPUIS-CEXWTWQISA-N 2 1 386.496 0.357 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)CC[N@@H+]1C ZINC001187971525 1205972980 /nfs/dbraw/zinc/97/29/80/1205972980.db2.gz OWVSYCKTHMBDBK-QXCFHYIPSA-N 2 1 385.512 0.571 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCc4cccnc4)C[C@H]32)CC[N@H+]1C ZINC001187971525 1205972984 /nfs/dbraw/zinc/97/29/84/1205972984.db2.gz OWVSYCKTHMBDBK-QXCFHYIPSA-N 2 1 385.512 0.571 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCc4cccnc4)C[C@H]32)CC[NH+]1C ZINC001187971525 1205972985 /nfs/dbraw/zinc/97/29/85/1205972985.db2.gz OWVSYCKTHMBDBK-QXCFHYIPSA-N 2 1 385.512 0.571 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCc4cccnc4)C[C@H]32)CC[NH+]1C ZINC001187971525 1205972987 /nfs/dbraw/zinc/97/29/87/1205972987.db2.gz OWVSYCKTHMBDBK-QXCFHYIPSA-N 2 1 385.512 0.571 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCCCOC)C[C@H]32)CC[N@@H+]1C ZINC001187971850 1205973094 /nfs/dbraw/zinc/97/30/94/1205973094.db2.gz ZTBSBWJLTBQSCD-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NCCCOC)C[C@H]32)CC[N@H+]1C ZINC001187971850 1205973097 /nfs/dbraw/zinc/97/30/97/1205973097.db2.gz ZTBSBWJLTBQSCD-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCCCOC)C[C@H]32)CC[NH+]1C ZINC001187971850 1205973098 /nfs/dbraw/zinc/97/30/98/1205973098.db2.gz ZTBSBWJLTBQSCD-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCCCOC)C[C@H]32)CC[NH+]1C ZINC001187971850 1205973100 /nfs/dbraw/zinc/97/31/00/1205973100.db2.gz ZTBSBWJLTBQSCD-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n1)C[NH2+]CC2 ZINC001164741526 720610076 /nfs/dbraw/zinc/61/00/76/720610076.db2.gz LLPXPWGTRADVRZ-CHWSQXEVSA-N 2 1 387.875 0.908 20 0 GCADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164743660 720622099 /nfs/dbraw/zinc/62/20/99/720622099.db2.gz PZMVCYGWFMOIKX-DLBZAZTESA-N 2 1 396.499 0.360 20 0 GCADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)CC1 ZINC001164743679 720622425 /nfs/dbraw/zinc/62/24/25/720622425.db2.gz PZMVCYGWFMOIKX-IRXDYDNUSA-N 2 1 396.499 0.360 20 0 GCADMP Clc1nc2c(c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)n1)CC[NH2+]C2 ZINC001164744396 720638860 /nfs/dbraw/zinc/63/88/60/720638860.db2.gz RZFPYQWDJCYUPZ-STQMWFEESA-N 2 1 387.875 0.908 20 0 GCADMP [NH3+]C1CCN(c2ccnc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164740386 720731289 /nfs/dbraw/zinc/73/12/89/720731289.db2.gz KMELXUMVFLZXPS-DLBZAZTESA-N 2 1 396.499 0.536 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3nc(Cl)nc4c3CC[NH2+]C4)CC[C@H]2C1 ZINC001164850922 720840426 /nfs/dbraw/zinc/84/04/26/720840426.db2.gz FOTMSFXNFMQFSG-BBRMVZONSA-N 2 1 381.908 0.949 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@H]2C1 ZINC001164852968 720877851 /nfs/dbraw/zinc/87/78/51/720877851.db2.gz ASPCPRNNMMXKFY-FUHWJXTLSA-N 2 1 391.516 0.781 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CC[NH+](C)CC5)nn4)C[C@@H]3C2)cn1 ZINC001164762668 721080301 /nfs/dbraw/zinc/08/03/01/721080301.db2.gz FFHBNUDWHSDLMH-OALUTQOASA-N 2 1 396.543 0.920 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164765253 721091884 /nfs/dbraw/zinc/09/18/84/721091884.db2.gz ISQIVZBTTDRVQI-ZWKOTPCHSA-N 2 1 382.516 0.578 20 0 GCADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cncc(N5CC[NH2+]CC5)n4)CC[N@H+]3C2)c1 ZINC001164862834 721095824 /nfs/dbraw/zinc/09/58/24/721095824.db2.gz BBAZJHGPUGQPAP-RTBURBONSA-N 2 1 395.511 0.761 20 0 GCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc5c(nn4)CC[NH2+]C5)C3)O2)CC1 ZINC001164889769 721422606 /nfs/dbraw/zinc/42/26/06/721422606.db2.gz RJSXLHBTJZHHCE-WIYYLYMNSA-N 2 1 386.544 0.888 20 0 GCADMP CCOC(=O)C[C@H]1C(=O)NCCN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001165034186 721876165 /nfs/dbraw/zinc/87/61/65/721876165.db2.gz GTRPYKJLNOVZID-INIZCTEOSA-N 2 1 376.457 0.813 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2cc4c(nn2)CC[NH2+]C4)CC3)CC1 ZINC001164997175 722235525 /nfs/dbraw/zinc/23/55/25/722235525.db2.gz NMNBLXMNBLHOHL-UHFFFAOYSA-N 2 1 380.500 0.269 20 0 GCADMP Cc1cnc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1C1C[NH2+]C1 ZINC001165005896 722240582 /nfs/dbraw/zinc/24/05/82/722240582.db2.gz VRGQFUHOEZICDC-UHFFFAOYSA-N 2 1 394.527 0.619 20 0 GCADMP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264244 945479773 /nfs/dbraw/zinc/47/97/73/945479773.db2.gz JPKLGFNAJSEGKH-DJIMGWMZSA-N 2 1 385.472 0.182 20 0 GCADMP C[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264244 945479776 /nfs/dbraw/zinc/47/97/76/945479776.db2.gz JPKLGFNAJSEGKH-DJIMGWMZSA-N 2 1 385.472 0.182 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264427 945482922 /nfs/dbraw/zinc/48/29/22/945482922.db2.gz OLTHDRTWXISZRA-RDJZCZTQSA-N 2 1 385.472 0.278 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264427 945482928 /nfs/dbraw/zinc/48/29/28/945482928.db2.gz OLTHDRTWXISZRA-RDJZCZTQSA-N 2 1 385.472 0.278 20 0 GCADMP C[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264700 945489273 /nfs/dbraw/zinc/48/92/73/945489273.db2.gz UQGUPTZEPCVLHR-LXZKKBNFSA-N 2 1 385.472 0.182 20 0 GCADMP C[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)C1 ZINC001571264700 945489278 /nfs/dbraw/zinc/48/92/78/945489278.db2.gz UQGUPTZEPCVLHR-LXZKKBNFSA-N 2 1 385.472 0.182 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189495 945649658 /nfs/dbraw/zinc/64/96/58/945649658.db2.gz MWZAOXTVYJUNBH-SJORKVTESA-N 2 1 387.488 0.826 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189495 945649661 /nfs/dbraw/zinc/64/96/61/945649661.db2.gz MWZAOXTVYJUNBH-SJORKVTESA-N 2 1 387.488 0.826 20 0 GCADMP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000823696999 946468803 /nfs/dbraw/zinc/46/88/03/946468803.db2.gz HYAISSCXMKYQLV-KRWDZBQOSA-N 2 1 381.440 0.824 20 0 GCADMP NC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCOCC1 ZINC000826388825 948195586 /nfs/dbraw/zinc/19/55/86/948195586.db2.gz KABRNIXZNZVGQQ-UHFFFAOYSA-N 2 1 399.499 0.703 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872602 949553308 /nfs/dbraw/zinc/55/33/08/949553308.db2.gz KGGXCSSTXZJWEV-HIFRSBDPSA-N 2 1 382.472 0.831 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713095 949595171 /nfs/dbraw/zinc/59/51/71/949595171.db2.gz VWTGTFJRWUMBME-LRDDRELGSA-N 2 1 391.451 0.273 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574713095 949595194 /nfs/dbraw/zinc/59/51/94/949595194.db2.gz VWTGTFJRWUMBME-LRDDRELGSA-N 2 1 391.451 0.273 20 0 GCADMP C[C@H](CN(C)C(=O)CC[NH+]1CCOCC1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720649 949799646 /nfs/dbraw/zinc/79/96/46/949799646.db2.gz FJVDEHFCKSGOIU-OAHLLOKOSA-N 2 1 387.488 0.526 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576192109 950226299 /nfs/dbraw/zinc/22/62/99/950226299.db2.gz JUJAXDLPWJGWQT-GDBMZVCRSA-N 2 1 387.488 0.117 20 0 GCADMP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001574158724 950286674 /nfs/dbraw/zinc/28/66/74/950286674.db2.gz RGHDNSXGLPSZHX-GJZGRUSLSA-N 2 1 386.504 0.968 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576193290 950292175 /nfs/dbraw/zinc/29/21/75/950292175.db2.gz SCWIHEWAASTYMW-SUMWQHHRSA-N 2 1 384.488 0.674 20 0 GCADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573855531 950380315 /nfs/dbraw/zinc/38/03/15/950380315.db2.gz XJGGICGFAVXMND-SFHVURJKSA-N 2 1 390.467 0.814 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](CN(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576198010 950403566 /nfs/dbraw/zinc/40/35/66/950403566.db2.gz RBHCXAYRMXWYQE-CABCVRRESA-N 2 1 384.488 0.888 20 0 GCADMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576204887 950482062 /nfs/dbraw/zinc/48/20/62/950482062.db2.gz DFZKOAFHOOBPSZ-STQMWFEESA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205172 950497558 /nfs/dbraw/zinc/49/75/58/950497558.db2.gz VWFHYVIAKZEALZ-ORAYPTAESA-N 2 1 384.488 0.722 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205841 950544861 /nfs/dbraw/zinc/54/48/61/950544861.db2.gz QFYVLGCISDKYPU-QWHCGFSZSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574771302 950909221 /nfs/dbraw/zinc/90/92/21/950909221.db2.gz AGGITOWUQUXXLP-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574771302 950909240 /nfs/dbraw/zinc/90/92/40/950909240.db2.gz AGGITOWUQUXXLP-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574771302 950909259 /nfs/dbraw/zinc/90/92/59/950909259.db2.gz AGGITOWUQUXXLP-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574771302 950909277 /nfs/dbraw/zinc/90/92/77/950909277.db2.gz AGGITOWUQUXXLP-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574771300 950909897 /nfs/dbraw/zinc/90/98/97/950909897.db2.gz AGGITOWUQUXXLP-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001574771300 950909912 /nfs/dbraw/zinc/90/99/12/950909912.db2.gz AGGITOWUQUXXLP-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001574771300 950909924 /nfs/dbraw/zinc/90/99/24/950909924.db2.gz AGGITOWUQUXXLP-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001574771300 950909938 /nfs/dbraw/zinc/90/99/38/950909938.db2.gz AGGITOWUQUXXLP-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089037 951745695 /nfs/dbraw/zinc/74/56/95/951745695.db2.gz CQLJCVLRRSEHKI-MLGOLLRUSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089037 951745702 /nfs/dbraw/zinc/74/57/02/951745702.db2.gz CQLJCVLRRSEHKI-MLGOLLRUSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089064 951746172 /nfs/dbraw/zinc/74/61/72/951746172.db2.gz CYGDKXSYRKDIRP-DOMZBBRYSA-N 2 1 375.452 0.799 20 0 GCADMP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001575101515 951859753 /nfs/dbraw/zinc/85/97/53/951859753.db2.gz GEOITPWCNZNAOT-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192789 952949222 /nfs/dbraw/zinc/94/92/22/952949222.db2.gz VXOYSUHTYXWBJU-FGTMMUONSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192789 952949227 /nfs/dbraw/zinc/94/92/27/952949227.db2.gz VXOYSUHTYXWBJU-FGTMMUONSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571192789 952949230 /nfs/dbraw/zinc/94/92/30/952949230.db2.gz VXOYSUHTYXWBJU-FGTMMUONSA-N 2 1 381.484 0.994 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571192826 952950253 /nfs/dbraw/zinc/95/02/53/952950253.db2.gz WRXUTIXLPGCGPB-KZNAEPCWSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571192826 952950256 /nfs/dbraw/zinc/95/02/56/952950256.db2.gz WRXUTIXLPGCGPB-KZNAEPCWSA-N 2 1 381.484 0.994 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CC[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)C[C@H]21 ZINC001571192826 952950261 /nfs/dbraw/zinc/95/02/61/952950261.db2.gz WRXUTIXLPGCGPB-KZNAEPCWSA-N 2 1 381.484 0.994 20 0 GCADMP Cc1cc(N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571211755 953080328 /nfs/dbraw/zinc/08/03/28/953080328.db2.gz FFWPGVYFYCVWHZ-BOGLJMFRSA-N 2 1 382.472 0.461 20 0 GCADMP C[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)N3c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571214314 953101865 /nfs/dbraw/zinc/10/18/65/953101865.db2.gz XAPGAXVARMZWDV-GASCZTMLSA-N 2 1 382.472 0.783 20 0 GCADMP Cc1cc(N[C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252096 953324218 /nfs/dbraw/zinc/32/42/18/953324218.db2.gz HAXWZFOQBXJDGM-YOEHRIQHSA-N 2 1 384.488 0.879 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261708499 530129024 /nfs/dbraw/zinc/12/90/24/530129024.db2.gz IYSQRXRQDWKVGF-KRWDZBQOSA-N 2 1 397.317 0.950 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261708502 530129747 /nfs/dbraw/zinc/12/97/47/530129747.db2.gz IYSQRXRQDWKVGF-QGZVFWFLSA-N 2 1 397.317 0.950 20 0 GCADMP [NH3+]CCOCC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000601325280 530377687 /nfs/dbraw/zinc/37/76/87/530377687.db2.gz BYKSTICEJGFNGT-UHFFFAOYSA-N 2 1 377.230 0.179 20 0 GCADMP C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504251 530571859 /nfs/dbraw/zinc/57/18/59/530571859.db2.gz MMZXKJIXZPZJSU-UONOGXRCSA-N 2 1 390.575 0.803 20 0 GCADMP C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504251 530571861 /nfs/dbraw/zinc/57/18/61/530571861.db2.gz MMZXKJIXZPZJSU-UONOGXRCSA-N 2 1 390.575 0.803 20 0 GCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000419074922 530954530 /nfs/dbraw/zinc/95/45/30/530954530.db2.gz MNQXGWSTTNJQEW-LBPRGKRZSA-N 2 1 397.317 0.993 20 0 GCADMP C[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000419132853 530955397 /nfs/dbraw/zinc/95/53/97/530955397.db2.gz BXOKJFFVBNFFAH-UHFFFAOYSA-N 2 1 397.317 0.865 20 0 GCADMP CN(CC[NH3+])C(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000419164765 530955992 /nfs/dbraw/zinc/95/59/92/530955992.db2.gz MPFFPOXVGWCEIY-UHFFFAOYSA-N 2 1 397.317 0.947 20 0 GCADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000523654177 530982316 /nfs/dbraw/zinc/98/23/16/530982316.db2.gz QSAYVSMODBOQTJ-UHFFFAOYSA-N 2 1 376.567 0.436 20 0 GCADMP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCC2C[NH2+]C2)CC1 ZINC000667663967 531106315 /nfs/dbraw/zinc/10/63/15/531106315.db2.gz MAYVTUPCNPYPBK-UHFFFAOYSA-N 2 1 383.294 0.937 20 0 GCADMP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826502898 609491620 /nfs/dbraw/zinc/49/16/20/609491620.db2.gz MGMOSTKCPFXDEP-KRWDZBQOSA-N 2 1 388.472 0.059 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)C1CCOCC1 ZINC000739953188 640202148 /nfs/dbraw/zinc/20/21/48/640202148.db2.gz GLMVDSCSACWKEL-QGZVFWFLSA-N 2 1 376.567 0.690 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CCSC1 ZINC000929464937 641959616 /nfs/dbraw/zinc/95/96/16/641959616.db2.gz RAUBUBBBYZDAKU-VBQJREDUSA-N 2 1 386.587 0.236 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCSC[C@H]23)CCSC1 ZINC000929464937 641959621 /nfs/dbraw/zinc/95/96/21/641959621.db2.gz RAUBUBBBYZDAKU-VBQJREDUSA-N 2 1 386.587 0.236 20 0 GCADMP C[N@H+]1C[C@@H]2CCN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000893494586 1192166459 /nfs/dbraw/zinc/16/64/59/1192166459.db2.gz PMMSPNUJRFPWSY-DLBZAZTESA-N 2 1 379.549 0.959 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000662960285 1192171350 /nfs/dbraw/zinc/17/13/50/1192171350.db2.gz PPHJGOOJZPIGCL-RBUKOAKNSA-N 2 1 388.512 0.338 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018136 1192186455 /nfs/dbraw/zinc/18/64/55/1192186455.db2.gz ORSWYKTWVKVBRW-WBVHZDCISA-N 2 1 376.505 0.246 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018136 1192186459 /nfs/dbraw/zinc/18/64/59/1192186459.db2.gz ORSWYKTWVKVBRW-WBVHZDCISA-N 2 1 376.505 0.246 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467253052 1192202742 /nfs/dbraw/zinc/20/27/42/1192202742.db2.gz CCSVWFJPUCVQAH-SFHVURJKSA-N 2 1 395.548 0.613 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000423446549 1192218811 /nfs/dbraw/zinc/21/88/11/1192218811.db2.gz OIZABJPCFXNTDU-NRFANRHFSA-N 2 1 394.560 0.938 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CNC3(CO)CC[NH2+]CC3)CC2)cc1 ZINC000662284811 1192276252 /nfs/dbraw/zinc/27/62/52/1192276252.db2.gz POVSFKHQTDAJSU-UHFFFAOYSA-N 2 1 390.528 0.434 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@@H+]1C ZINC000979980525 1192297050 /nfs/dbraw/zinc/29/70/50/1192297050.db2.gz VAPIHAOEGGXOTB-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)C2)CC[N@H+]1C ZINC000979980525 1192297054 /nfs/dbraw/zinc/29/70/54/1192297054.db2.gz VAPIHAOEGGXOTB-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979980525 1192297057 /nfs/dbraw/zinc/29/70/57/1192297057.db2.gz VAPIHAOEGGXOTB-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC[NH+]1C ZINC000979980525 1192297059 /nfs/dbraw/zinc/29/70/59/1192297059.db2.gz VAPIHAOEGGXOTB-PDCGBLAGSA-N 2 1 380.533 0.447 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662466736 1192300678 /nfs/dbraw/zinc/30/06/78/1192300678.db2.gz XZVULHWOOSTOTP-HZPDHXFCSA-N 2 1 383.500 0.822 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652643700 1192301596 /nfs/dbraw/zinc/30/15/96/1192301596.db2.gz XIJKHCUXXXSQDA-UHFFFAOYSA-N 2 1 375.473 0.631 20 0 GCADMP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)CCC1 ZINC001719835415 1192311433 /nfs/dbraw/zinc/31/14/33/1192311433.db2.gz JGCNAFGRCGJTFW-IKGGRYGDSA-N 2 1 378.517 0.441 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662684697 1192327191 /nfs/dbraw/zinc/32/71/91/1192327191.db2.gz GXYTWWDXQPFFAF-QGZVFWFLSA-N 2 1 397.483 0.905 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662684697 1192327196 /nfs/dbraw/zinc/32/71/96/1192327196.db2.gz GXYTWWDXQPFFAF-QGZVFWFLSA-N 2 1 397.483 0.905 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000563150373 1192366369 /nfs/dbraw/zinc/36/63/69/1192366369.db2.gz OLGUSNAUWCLPGI-SFHVURJKSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000563150373 1192366373 /nfs/dbraw/zinc/36/63/73/1192366373.db2.gz OLGUSNAUWCLPGI-SFHVURJKSA-N 2 1 398.504 0.329 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000643527679 1192379684 /nfs/dbraw/zinc/37/96/84/1192379684.db2.gz QUIKWLMXJDIZIY-YOEHRIQHSA-N 2 1 376.457 0.334 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561619 1192390035 /nfs/dbraw/zinc/39/00/35/1192390035.db2.gz UPNKVKILQBCSCV-MOPGFXCFSA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC000663561619 1192390037 /nfs/dbraw/zinc/39/00/37/1192390037.db2.gz UPNKVKILQBCSCV-MOPGFXCFSA-N 2 1 381.565 0.499 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663585209 1192404141 /nfs/dbraw/zinc/40/41/41/1192404141.db2.gz DPAUMNRWJXMVJG-IBGZPJMESA-N 2 1 375.473 0.956 20 0 GCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001719850446 1192416635 /nfs/dbraw/zinc/41/66/35/1192416635.db2.gz KRUBBZRLZVZLTA-SQNIBIBYSA-N 2 1 380.533 0.689 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001719850446 1192416638 /nfs/dbraw/zinc/41/66/38/1192416638.db2.gz KRUBBZRLZVZLTA-SQNIBIBYSA-N 2 1 380.533 0.689 20 0 GCADMP CN1CC[NH+](CCOc2ccc(NC(=O)C(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000663612140 1192417044 /nfs/dbraw/zinc/41/70/44/1192417044.db2.gz GEPFUZSWQLGQKE-HXUWFJFHSA-N 2 1 389.500 0.120 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000432449560 1192450402 /nfs/dbraw/zinc/45/04/02/1192450402.db2.gz RXYJUFLRBMQKGI-KRWDZBQOSA-N 2 1 397.564 0.465 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652678152 1192487294 /nfs/dbraw/zinc/48/72/94/1192487294.db2.gz VURMKTDJIPQZNS-FCGDIQPGSA-N 2 1 394.560 0.968 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652681548 1192520692 /nfs/dbraw/zinc/52/06/92/1192520692.db2.gz MPIZKKOQLHNDEI-CFVWQIKISA-N 2 1 378.517 0.330 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652682069 1192521890 /nfs/dbraw/zinc/52/18/90/1192521890.db2.gz ANKAJLDRFOXFIW-OWSLCNJRSA-N 2 1 380.533 0.579 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C[N@H+]1C1CC1 ZINC000652681891 1192522157 /nfs/dbraw/zinc/52/21/57/1192522157.db2.gz WXKPHKRHAKVYME-OCABDXPQSA-N 2 1 378.517 0.473 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000187307969 1192523005 /nfs/dbraw/zinc/52/30/05/1192523005.db2.gz UQNXWLRTXUXSSJ-ROUUACIJSA-N 2 1 383.581 0.745 20 0 GCADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000512250869 1192575127 /nfs/dbraw/zinc/57/51/27/1192575127.db2.gz WCRISMURGQFXKT-INIZCTEOSA-N 2 1 392.500 0.722 20 0 GCADMP COC[C@]1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)CCC[NH2+]1 ZINC000418659216 1192624905 /nfs/dbraw/zinc/62/49/05/1192624905.db2.gz VLKYISODXBBWOD-SVFBPWRDSA-N 2 1 390.528 0.937 20 0 GCADMP COC[C@]1(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)CCC[NH2+]1 ZINC000418659213 1192624975 /nfs/dbraw/zinc/62/49/75/1192624975.db2.gz VLKYISODXBBWOD-IRFCIJBXSA-N 2 1 390.528 0.937 20 0 GCADMP COC[C@]1(CNC(=O)NC[C@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000418652718 1192625666 /nfs/dbraw/zinc/62/56/66/1192625666.db2.gz JEQZWNSCJXCNID-QWFCFKBJSA-N 2 1 376.501 0.690 20 0 GCADMP C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000418669471 1192628873 /nfs/dbraw/zinc/62/88/73/1192628873.db2.gz PUBJJFUDDWFPKJ-KYJSFNMBSA-N 2 1 395.548 0.120 20 0 GCADMP CC[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1C[C@@H](C)O ZINC000418669985 1192629205 /nfs/dbraw/zinc/62/92/05/1192629205.db2.gz PWGQQNSIFFQSSN-XZKMEQPCSA-N 2 1 395.548 0.120 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000418752484 1192639735 /nfs/dbraw/zinc/63/97/35/1192639735.db2.gz BVVBSQOKNXBVLH-IPMKNSEASA-N 2 1 375.517 0.072 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418822141 1192658261 /nfs/dbraw/zinc/65/82/61/1192658261.db2.gz AIOQHABCUWYECU-IRXDYDNUSA-N 2 1 380.533 0.771 20 0 GCADMP [NH3+][C@H](CNC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000418833760 1192659965 /nfs/dbraw/zinc/65/99/65/1192659965.db2.gz NOPWIRSBNYHXKZ-GOSISDBHSA-N 2 1 388.512 0.954 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])[NH+](C)C ZINC000418853963 1192666801 /nfs/dbraw/zinc/66/68/01/1192666801.db2.gz STHHPTLQXMXIFO-UXLLHSPISA-N 2 1 392.500 0.379 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862302 1192670790 /nfs/dbraw/zinc/67/07/90/1192670790.db2.gz AMOXVJXUVSYBRM-MPTYRVRUSA-N 2 1 380.533 0.985 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418874814 1192674273 /nfs/dbraw/zinc/67/42/73/1192674273.db2.gz CJFGWAGXSHHECQ-QZTJIDSGSA-N 2 1 376.501 0.359 20 0 GCADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418878725 1192674716 /nfs/dbraw/zinc/67/47/16/1192674716.db2.gz MAODHKJUDBXURG-RTBURBONSA-N 2 1 390.528 0.701 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCCO1 ZINC000418878121 1192676060 /nfs/dbraw/zinc/67/60/60/1192676060.db2.gz LBORNBBSXANFQC-NZSAHSFTSA-N 2 1 388.512 0.557 20 0 GCADMP COCC1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]CC1 ZINC000279919338 1192686723 /nfs/dbraw/zinc/68/67/23/1192686723.db2.gz NEGJLPUVVVFIAH-QGZVFWFLSA-N 2 1 375.517 0.725 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000418926411 1192694195 /nfs/dbraw/zinc/69/41/95/1192694195.db2.gz RFXSBHONHFWVEO-KRWDZBQOSA-N 2 1 380.533 0.452 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942751 1192696739 /nfs/dbraw/zinc/69/67/39/1192696739.db2.gz AVENVOVWZQVJRG-HIFRSBDPSA-N 2 1 378.473 0.200 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N(C)[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942751 1192696741 /nfs/dbraw/zinc/69/67/41/1192696741.db2.gz AVENVOVWZQVJRG-HIFRSBDPSA-N 2 1 378.473 0.200 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958567 1192700291 /nfs/dbraw/zinc/70/02/91/1192700291.db2.gz GPNZSHZQGBRHAL-HIFRSBDPSA-N 2 1 378.473 0.105 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418958567 1192700296 /nfs/dbraw/zinc/70/02/96/1192700296.db2.gz GPNZSHZQGBRHAL-HIFRSBDPSA-N 2 1 378.473 0.105 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968048 1192705478 /nfs/dbraw/zinc/70/54/78/1192705478.db2.gz TWXXTJAAAHNZLK-MAUKXSAKSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968048 1192705481 /nfs/dbraw/zinc/70/54/81/1192705481.db2.gz TWXXTJAAAHNZLK-MAUKXSAKSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964134 1192703533 /nfs/dbraw/zinc/70/35/33/1192703533.db2.gz MVYHRSNNZLEXPK-HOTGVXAUSA-N 2 1 390.484 0.263 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000418964134 1192703537 /nfs/dbraw/zinc/70/35/37/1192703537.db2.gz MVYHRSNNZLEXPK-HOTGVXAUSA-N 2 1 390.484 0.263 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000418985240 1192709067 /nfs/dbraw/zinc/70/90/67/1192709067.db2.gz MTNFEGSRYVLOTG-FHLIZLRMSA-N 2 1 376.476 0.927 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968050 1192705678 /nfs/dbraw/zinc/70/56/78/1192705678.db2.gz TWXXTJAAAHNZLK-YJBOKZPZSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968050 1192705680 /nfs/dbraw/zinc/70/56/80/1192705680.db2.gz TWXXTJAAAHNZLK-YJBOKZPZSA-N 2 1 390.484 0.248 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652686936 1192714650 /nfs/dbraw/zinc/71/46/50/1192714650.db2.gz RKTXAWVEXRJQNA-FJIDUMEYSA-N 2 1 380.533 0.722 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])c1 ZINC000419013274 1192718487 /nfs/dbraw/zinc/71/84/87/1192718487.db2.gz ATKKKCLUNJVNTJ-ZWKOTPCHSA-N 2 1 376.501 0.719 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](C3CCC3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000410576683 1192725489 /nfs/dbraw/zinc/72/54/89/1192725489.db2.gz YATRFUXISZIMQU-KRWDZBQOSA-N 2 1 391.560 0.310 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000419024925 1192727291 /nfs/dbraw/zinc/72/72/91/1192727291.db2.gz LHCGBGPMDCXENZ-MRXNPFEDSA-N 2 1 382.549 0.970 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419030165 1192729184 /nfs/dbraw/zinc/72/91/84/1192729184.db2.gz SPMHZLATADCCRH-IXDOHACOSA-N 2 1 395.548 0.069 20 0 GCADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000410584213 1192729497 /nfs/dbraw/zinc/72/94/97/1192729497.db2.gz LEBZTGCDWBWWCE-YQVWRLOYSA-N 2 1 391.560 0.308 20 0 GCADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc1F ZINC000419028908 1192729966 /nfs/dbraw/zinc/72/99/66/1192729966.db2.gz QYSBQAAZVHRJIM-AWEZNQCLSA-N 2 1 375.404 0.122 20 0 GCADMP CC[N@H+]1CCC[C@H](NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000419033888 1192732897 /nfs/dbraw/zinc/73/28/97/1192732897.db2.gz XRRKYVYZVVJKNY-UHOSZYNNSA-N 2 1 388.512 0.857 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)[C@H](C)C1 ZINC000419044183 1192738014 /nfs/dbraw/zinc/73/80/14/1192738014.db2.gz SOJFLIADKWCUIQ-NCOADZHNSA-N 2 1 398.548 0.469 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)nc(C)[nH+]1 ZINC000419043519 1192740102 /nfs/dbraw/zinc/74/01/02/1192740102.db2.gz RJEDADMGQMKYAJ-UHFFFAOYSA-N 2 1 388.516 0.956 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])[C@H](C)C1 ZINC000419042397 1192740198 /nfs/dbraw/zinc/74/01/98/1192740198.db2.gz OZBQCNWFHALHMY-ZJPYXAASSA-N 2 1 382.549 0.968 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)[C@@H](C)C1 ZINC000419045055 1192741819 /nfs/dbraw/zinc/74/18/19/1192741819.db2.gz VNELYUUDEICUIJ-OYSTVDSJSA-N 2 1 394.560 0.825 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419058425 1192750363 /nfs/dbraw/zinc/75/03/63/1192750363.db2.gz PVKNBUHXRNXCMF-CEXWTWQISA-N 2 1 388.512 0.589 20 0 GCADMP CCCN(C(=O)C(=O)NCC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000419057970 1192751026 /nfs/dbraw/zinc/75/10/26/1192751026.db2.gz BCRMLISHJFPFHY-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP CCCN(C(=O)C(=O)NCC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000419057970 1192751031 /nfs/dbraw/zinc/75/10/31/1192751031.db2.gz BCRMLISHJFPFHY-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419064317 1192759676 /nfs/dbraw/zinc/75/96/76/1192759676.db2.gz BZYZWXPRTMQDSP-OAHLLOKOSA-N 2 1 395.935 0.774 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)[C@@H](C)C[NH2+]1 ZINC000419067152 1192762965 /nfs/dbraw/zinc/76/29/65/1192762965.db2.gz FWVCCCAMQDLWAZ-IXDOHACOSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)[C@@H](C)C[NH2+]1 ZINC000419067152 1192762969 /nfs/dbraw/zinc/76/29/69/1192762969.db2.gz FWVCCCAMQDLWAZ-IXDOHACOSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000419070417 1192766956 /nfs/dbraw/zinc/76/69/56/1192766956.db2.gz JZVJSEKLSDRLFJ-FCEWJHQRSA-N 2 1 388.512 0.719 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000419070417 1192766958 /nfs/dbraw/zinc/76/69/58/1192766958.db2.gz JZVJSEKLSDRLFJ-FCEWJHQRSA-N 2 1 388.512 0.719 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000410626369 1192771113 /nfs/dbraw/zinc/77/11/13/1192771113.db2.gz ZEAHWXIQFKXEFG-ZHALLVOQSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000410626369 1192771118 /nfs/dbraw/zinc/77/11/18/1192771118.db2.gz ZEAHWXIQFKXEFG-ZHALLVOQSA-N 2 1 392.544 0.783 20 0 GCADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000410626369 1192771121 /nfs/dbraw/zinc/77/11/21/1192771121.db2.gz ZEAHWXIQFKXEFG-ZHALLVOQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631832 1192775152 /nfs/dbraw/zinc/77/51/52/1192775152.db2.gz OHFOVTKDEVQEAK-SCTDSRPQSA-N 2 1 394.560 0.744 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419098528 1192784399 /nfs/dbraw/zinc/78/43/99/1192784399.db2.gz CJSIAKSNIYYMLB-ROUUACIJSA-N 2 1 388.512 0.508 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)[NH+]1CCOCC1 ZINC000419120246 1192793508 /nfs/dbraw/zinc/79/35/08/1192793508.db2.gz PWSYZQMECCVTOD-YJBOKZPZSA-N 2 1 382.549 0.825 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC(C[NH2+]C)CC1)[NH+]1CCOCC1 ZINC000419120525 1192793739 /nfs/dbraw/zinc/79/37/39/1192793739.db2.gz QNKAHHNRDPSLAB-SFHVURJKSA-N 2 1 382.549 0.698 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000419103235 1192791971 /nfs/dbraw/zinc/79/19/71/1192791971.db2.gz JNWOKQFOLIFNFS-SFHVURJKSA-N 2 1 390.528 0.756 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[NH+]1CCN(C)CC1 ZINC000419128212 1192797929 /nfs/dbraw/zinc/79/79/29/1192797929.db2.gz VOISWTBVNUCVOG-RTBURBONSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1)[NH+]1CCN(C)CC1 ZINC000419128192 1192798015 /nfs/dbraw/zinc/79/80/15/1192798015.db2.gz VNHDPVLPYMVVQM-LJQANCHMSA-N 2 1 395.592 0.803 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)[NH+]1CCOCC1 ZINC000419111153 1192798581 /nfs/dbraw/zinc/79/85/81/1192798581.db2.gz CWOGDIXQXXAOMP-FUHWJXTLSA-N 2 1 382.549 0.827 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419114720 1192800952 /nfs/dbraw/zinc/80/09/52/1192800952.db2.gz SIGUHFKXZVTEDG-BPQIPLTHSA-N 2 1 376.501 0.588 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH+]1CCOCC1 ZINC000419118067 1192802852 /nfs/dbraw/zinc/80/28/52/1192802852.db2.gz NOLDMKWXYWWJJB-KSZLIROESA-N 2 1 380.533 0.308 20 0 GCADMP Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)[nH+]1 ZINC000419136737 1192810022 /nfs/dbraw/zinc/81/00/22/1192810022.db2.gz PNWKVRGXCMLSNM-GOEBONIOSA-N 2 1 389.500 0.704 20 0 GCADMP Cc1cccc(N2CCC(NC(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@@H]3C)CC2)[nH+]1 ZINC000419136740 1192810040 /nfs/dbraw/zinc/81/00/40/1192810040.db2.gz PNWKVRGXCMLSNM-ZBFHGGJFSA-N 2 1 389.500 0.704 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419137207 1192809033 /nfs/dbraw/zinc/80/90/33/1192809033.db2.gz QHDFNWADXBDSLL-IPMKNSEASA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000419153348 1192811267 /nfs/dbraw/zinc/81/12/67/1192811267.db2.gz PMYNNVQUOXDBCB-QGZVFWFLSA-N 2 1 389.544 0.553 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000419154274 1192811929 /nfs/dbraw/zinc/81/19/29/1192811929.db2.gz RBGONPCHVJEBIB-HUUCEWRRSA-N 2 1 380.514 0.262 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000419155673 1192816291 /nfs/dbraw/zinc/81/62/91/1192816291.db2.gz UFNXGCXUKBPQMQ-DDUZABMNSA-N 2 1 392.450 0.879 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419161467 1192819196 /nfs/dbraw/zinc/81/91/96/1192819196.db2.gz IYQYIDVYDHRLST-ZWKOTPCHSA-N 2 1 376.501 0.364 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164368 1192821553 /nfs/dbraw/zinc/82/15/53/1192821553.db2.gz LSYDIEKNNPVGNO-WDSOQIARSA-N 2 1 388.512 0.589 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419166112 1192822301 /nfs/dbraw/zinc/82/23/01/1192822301.db2.gz OJSVJJJAJWLDLL-MOPGFXCFSA-N 2 1 388.512 0.510 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419167229 1192823309 /nfs/dbraw/zinc/82/33/09/1192823309.db2.gz IFMGXXTWNLIYFP-ZCNNSNEGSA-N 2 1 384.524 0.735 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H](C)C[NH2+]1 ZINC000419172319 1192826021 /nfs/dbraw/zinc/82/60/21/1192826021.db2.gz YXUMGLOSRFJFJF-AOIWGVFYSA-N 2 1 388.512 0.603 20 0 GCADMP COc1cc(C[NH+](C)[C@@]2(CO)CCOC2)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1 ZINC000432868763 1192831233 /nfs/dbraw/zinc/83/12/33/1192831233.db2.gz XOLGZXKXDTYWKF-OYRHEFFESA-N 2 1 394.512 0.862 20 0 GCADMP COc1cc(C[NH+](C)[C@]2(CO)CCOC2)cc(C[N@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000432868763 1192831237 /nfs/dbraw/zinc/83/12/37/1192831237.db2.gz XOLGZXKXDTYWKF-OYRHEFFESA-N 2 1 394.512 0.862 20 0 GCADMP COc1cc(C[NH+](C)[C@]2(CO)CCOC2)cc(C[N@@H+](C)[C@@]2(CO)CCOC2)c1 ZINC000432868763 1192831242 /nfs/dbraw/zinc/83/12/42/1192831242.db2.gz XOLGZXKXDTYWKF-OYRHEFFESA-N 2 1 394.512 0.862 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(=O)NC[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000419196019 1192832727 /nfs/dbraw/zinc/83/27/27/1192832727.db2.gz AGWKSLIEDLBJJT-QFBILLFUSA-N 2 1 388.512 0.639 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000410694115 1192836000 /nfs/dbraw/zinc/83/60/00/1192836000.db2.gz BJTZJVHWXKTPIP-LJQANCHMSA-N 2 1 394.560 0.888 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000410694115 1192836006 /nfs/dbraw/zinc/83/60/06/1192836006.db2.gz BJTZJVHWXKTPIP-LJQANCHMSA-N 2 1 394.560 0.888 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000410697833 1192840253 /nfs/dbraw/zinc/84/02/53/1192840253.db2.gz MACKPSIAXDCWSR-IBGZPJMESA-N 2 1 394.560 0.746 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000410697833 1192840258 /nfs/dbraw/zinc/84/02/58/1192840258.db2.gz MACKPSIAXDCWSR-IBGZPJMESA-N 2 1 394.560 0.746 20 0 GCADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419198848 1192839013 /nfs/dbraw/zinc/83/90/13/1192839013.db2.gz CXXMLZLLEVZSCQ-LPHOPBHVSA-N 2 1 388.512 0.863 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)CCC(F)(F)F ZINC000419200282 1192839323 /nfs/dbraw/zinc/83/93/23/1192839323.db2.gz DZBPVYBXRRDNGE-NWDGAFQWSA-N 2 1 382.427 0.606 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C)CCC(F)(F)F ZINC000419200282 1192839329 /nfs/dbraw/zinc/83/93/29/1192839329.db2.gz DZBPVYBXRRDNGE-NWDGAFQWSA-N 2 1 382.427 0.606 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410701442 1192842406 /nfs/dbraw/zinc/84/24/06/1192842406.db2.gz MKOHMNZLNNQUEN-IRXDYDNUSA-N 2 1 382.549 0.887 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCC(OCCC[NH+](C)C)CC2)C[C@@H]1C ZINC000410701442 1192842411 /nfs/dbraw/zinc/84/24/11/1192842411.db2.gz MKOHMNZLNNQUEN-IRXDYDNUSA-N 2 1 382.549 0.887 20 0 GCADMP CC(C)OCCN1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000410719671 1192849395 /nfs/dbraw/zinc/84/93/95/1192849395.db2.gz ZKWMCPCYEIHMSL-SFHVURJKSA-N 2 1 382.549 0.888 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419205220 1192855348 /nfs/dbraw/zinc/85/53/48/1192855348.db2.gz JLIODDUMRBSXIL-IYBDPMFKSA-N 2 1 376.501 0.638 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000410727386 1192872915 /nfs/dbraw/zinc/87/29/15/1192872915.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 2 1 379.549 0.166 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000410727386 1192872921 /nfs/dbraw/zinc/87/29/21/1192872921.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 1 379.549 0.166 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000410727386 1192872927 /nfs/dbraw/zinc/87/29/27/1192872927.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 1 379.549 0.166 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000410727386 1192872934 /nfs/dbraw/zinc/87/29/34/1192872934.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 1 379.549 0.166 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000410727386 1192872941 /nfs/dbraw/zinc/87/29/41/1192872941.db2.gz AXOYCHLFXOVPOS-MSOLQXFVSA-N 3 1 379.549 0.166 20 0 GCADMP C[NH+]1CC[C@]2(CCN(c3nc(C(N)=O)cc(N4CC[C@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964772 1192884570 /nfs/dbraw/zinc/88/45/70/1192884570.db2.gz USPLXJJIEKTCHG-SFTDATJTSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@]5(CC[N@H+](C)C5)C4)n3)C2)C1 ZINC000893964772 1192884578 /nfs/dbraw/zinc/88/45/78/1192884578.db2.gz USPLXJJIEKTCHG-SFTDATJTSA-N 2 1 399.543 0.640 20 0 GCADMP C[NH+]1CC[C@]2(CCN(c3cc(C(N)=O)nc(N4CC[C@]5(CC[N@@H+](C)C5)C4)n3)C2)C1 ZINC000893964772 1192884584 /nfs/dbraw/zinc/88/45/84/1192884584.db2.gz USPLXJJIEKTCHG-SFTDATJTSA-N 2 1 399.543 0.640 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419210405 1192889402 /nfs/dbraw/zinc/88/94/02/1192889402.db2.gz QPUULSXPPUPOHL-MGPQQGTHSA-N 2 1 378.439 0.881 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000419210405 1192889406 /nfs/dbraw/zinc/88/94/06/1192889406.db2.gz QPUULSXPPUPOHL-MGPQQGTHSA-N 2 1 378.439 0.881 20 0 GCADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000051957819 1192892503 /nfs/dbraw/zinc/89/25/03/1192892503.db2.gz WHVWZUFZNBHLSJ-GOSISDBHSA-N 2 1 389.496 0.987 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[NH+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779711 1192900860 /nfs/dbraw/zinc/90/08/60/1192900860.db2.gz MDJPNSXXNDVWMC-LMMKCTJWSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779711 1192900862 /nfs/dbraw/zinc/90/08/62/1192900862.db2.gz MDJPNSXXNDVWMC-LMMKCTJWSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)CC2)CCO1 ZINC000410779711 1192900863 /nfs/dbraw/zinc/90/08/63/1192900863.db2.gz MDJPNSXXNDVWMC-LMMKCTJWSA-N 2 1 392.544 0.641 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410778212 1192901053 /nfs/dbraw/zinc/90/10/53/1192901053.db2.gz DZDNCRKQPPPZGR-MSOLQXFVSA-N 2 1 394.560 0.746 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410778212 1192901055 /nfs/dbraw/zinc/90/10/55/1192901055.db2.gz DZDNCRKQPPPZGR-MSOLQXFVSA-N 2 1 394.560 0.746 20 0 GCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410806021 1192904563 /nfs/dbraw/zinc/90/45/63/1192904563.db2.gz LWWWQYXCFQJWGQ-IRXDYDNUSA-N 2 1 382.549 0.480 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410806021 1192904566 /nfs/dbraw/zinc/90/45/66/1192904566.db2.gz LWWWQYXCFQJWGQ-IRXDYDNUSA-N 2 1 382.549 0.480 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410806021 1192904567 /nfs/dbraw/zinc/90/45/67/1192904567.db2.gz LWWWQYXCFQJWGQ-IRXDYDNUSA-N 2 1 382.549 0.480 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000410806021 1192904570 /nfs/dbraw/zinc/90/45/70/1192904570.db2.gz LWWWQYXCFQJWGQ-IRXDYDNUSA-N 2 1 382.549 0.480 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)C1 ZINC000410839698 1192907285 /nfs/dbraw/zinc/90/72/85/1192907285.db2.gz CTKVFOPBICEBRQ-YLJYHZDGSA-N 2 1 380.533 0.500 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CC[NH2+]C[C@H]3C)cc2)C[C@H](C)O1 ZINC000419218551 1192916615 /nfs/dbraw/zinc/91/66/15/1192916615.db2.gz SBVSVQBALAUBIW-ZACQAIPSSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410937608 1192917664 /nfs/dbraw/zinc/91/76/64/1192917664.db2.gz LHXDAXHMABRRQX-INIZCTEOSA-N 2 1 382.549 0.480 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000410937608 1192917665 /nfs/dbraw/zinc/91/76/65/1192917665.db2.gz LHXDAXHMABRRQX-INIZCTEOSA-N 2 1 382.549 0.480 20 0 GCADMP C[NH+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000410964848 1192920850 /nfs/dbraw/zinc/92/08/50/1192920850.db2.gz BDNIAWUVNVFMLM-CEXWTWQISA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)[C@@H]2C1 ZINC000410964848 1192920853 /nfs/dbraw/zinc/92/08/53/1192920853.db2.gz BDNIAWUVNVFMLM-CEXWTWQISA-N 2 1 391.560 0.168 20 0 GCADMP C[NH+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)[C@@H]2C1 ZINC000410964848 1192920854 /nfs/dbraw/zinc/92/08/54/1192920854.db2.gz BDNIAWUVNVFMLM-CEXWTWQISA-N 2 1 391.560 0.168 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410989908 1192922617 /nfs/dbraw/zinc/92/26/17/1192922617.db2.gz SDKBTFBZVHJJNS-WMZOPIPTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000410989908 1192922618 /nfs/dbraw/zinc/92/26/18/1192922618.db2.gz SDKBTFBZVHJJNS-WMZOPIPTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000410989908 1192922619 /nfs/dbraw/zinc/92/26/19/1192922619.db2.gz SDKBTFBZVHJJNS-WMZOPIPTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000410989908 1192922620 /nfs/dbraw/zinc/92/26/20/1192922620.db2.gz SDKBTFBZVHJJNS-WMZOPIPTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000410989908 1192922621 /nfs/dbraw/zinc/92/26/21/1192922621.db2.gz SDKBTFBZVHJJNS-WMZOPIPTSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000410989906 1192922741 /nfs/dbraw/zinc/92/27/41/1192922741.db2.gz SDKBTFBZVHJJNS-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000410989906 1192922744 /nfs/dbraw/zinc/92/27/44/1192922744.db2.gz SDKBTFBZVHJJNS-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000410989906 1192922746 /nfs/dbraw/zinc/92/27/46/1192922746.db2.gz SDKBTFBZVHJJNS-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000410989906 1192922748 /nfs/dbraw/zinc/92/27/48/1192922748.db2.gz SDKBTFBZVHJJNS-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000410989906 1192922751 /nfs/dbraw/zinc/92/27/51/1192922751.db2.gz SDKBTFBZVHJJNS-FUHWJXTLSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CC[NH+](C)[C@@H](C(C)C)C2)CC[N@H+]1C ZINC000683120089 1184134061 /nfs/dbraw/zinc/13/40/61/1184134061.db2.gz BQEAHXVQVJRHAE-HDICACEKSA-N 2 1 382.549 0.600 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C ZINC000683120089 1184134063 /nfs/dbraw/zinc/13/40/63/1184134063.db2.gz BQEAHXVQVJRHAE-HDICACEKSA-N 2 1 382.549 0.600 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)COCC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CC[NH+]1C ZINC000683120089 1184134066 /nfs/dbraw/zinc/13/40/66/1184134066.db2.gz BQEAHXVQVJRHAE-HDICACEKSA-N 2 1 382.549 0.600 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654799683 1184144812 /nfs/dbraw/zinc/14/48/12/1184144812.db2.gz UILJOXMSGKZJAU-RBUKOAKNSA-N 2 1 396.601 0.727 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000274700949 1184196361 /nfs/dbraw/zinc/19/63/61/1184196361.db2.gz XWFMBCBGTQMEIJ-KRWDZBQOSA-N 2 1 394.516 0.892 20 0 GCADMP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700949 1184196366 /nfs/dbraw/zinc/19/63/66/1184196366.db2.gz XWFMBCBGTQMEIJ-KRWDZBQOSA-N 2 1 394.516 0.892 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700949 1184196372 /nfs/dbraw/zinc/19/63/72/1184196372.db2.gz XWFMBCBGTQMEIJ-KRWDZBQOSA-N 2 1 394.516 0.892 20 0 GCADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700949 1184196377 /nfs/dbraw/zinc/19/63/77/1184196377.db2.gz XWFMBCBGTQMEIJ-KRWDZBQOSA-N 2 1 394.516 0.892 20 0 GCADMP CC[NH+](CCO)CCNC(=O)N[C@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700949 1184196382 /nfs/dbraw/zinc/19/63/82/1184196382.db2.gz XWFMBCBGTQMEIJ-KRWDZBQOSA-N 2 1 394.516 0.892 20 0 GCADMP CN1CCN(c2cc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)ncn2)CC1=O ZINC000274732016 1184231386 /nfs/dbraw/zinc/23/13/86/1184231386.db2.gz CFKDJXXXSOXZCH-SFHVURJKSA-N 2 1 396.495 0.934 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643587231 1184270993 /nfs/dbraw/zinc/27/09/93/1184270993.db2.gz SVOWKOPKWRYLDW-NMLBUPMWSA-N 2 1 384.524 0.958 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1Cc1ccccc1 ZINC000643587231 1184270995 /nfs/dbraw/zinc/27/09/95/1184270995.db2.gz SVOWKOPKWRYLDW-NMLBUPMWSA-N 2 1 384.524 0.958 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000610216379 1184293590 /nfs/dbraw/zinc/29/35/90/1184293590.db2.gz BGPAWUVXQCVSBL-UHFFFAOYSA-N 2 1 381.521 0.391 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2NC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000579838043 1184312031 /nfs/dbraw/zinc/31/20/31/1184312031.db2.gz FBRWDQOLHWBNAI-MRXNPFEDSA-N 2 1 399.499 0.967 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(CC(=O)NCC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000533416001 1184380044 /nfs/dbraw/zinc/38/00/44/1184380044.db2.gz QVIWFIKOMOHRNQ-IYBDPMFKSA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000579866794 1184407849 /nfs/dbraw/zinc/40/78/49/1184407849.db2.gz HMPFONSSINYFMB-AEFFLSMTSA-N 2 1 390.528 0.885 20 0 GCADMP CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000471240711 1184515879 /nfs/dbraw/zinc/51/58/79/1184515879.db2.gz BHTGQDQGYNTFDO-UHFFFAOYSA-N 2 1 389.500 0.402 20 0 GCADMP CNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000471240711 1184515883 /nfs/dbraw/zinc/51/58/83/1184515883.db2.gz BHTGQDQGYNTFDO-UHFFFAOYSA-N 2 1 389.500 0.402 20 0 GCADMP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000533570982 1184562444 /nfs/dbraw/zinc/56/24/44/1184562444.db2.gz CNKMSLQORRNDDM-HQRMLTQVSA-N 2 1 378.517 0.888 20 0 GCADMP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000533570982 1184562449 /nfs/dbraw/zinc/56/24/49/1184562449.db2.gz CNKMSLQORRNDDM-HQRMLTQVSA-N 2 1 378.517 0.888 20 0 GCADMP CC(=O)N1CCN(C(=O)[C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000610250343 1184575750 /nfs/dbraw/zinc/57/57/50/1184575750.db2.gz UUBDAUUDDAWSMH-MJGOQNOKSA-N 2 1 379.549 0.166 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000683381537 1184621394 /nfs/dbraw/zinc/62/13/94/1184621394.db2.gz MLPDUYAXRBRPJW-OAHLLOKOSA-N 2 1 386.456 0.823 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000683381537 1184621400 /nfs/dbraw/zinc/62/14/00/1184621400.db2.gz MLPDUYAXRBRPJW-OAHLLOKOSA-N 2 1 386.456 0.823 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C[NH+]1CCOCC1 ZINC000275405073 1184655870 /nfs/dbraw/zinc/65/58/70/1184655870.db2.gz FILFXZVGWFPIRN-MRXNPFEDSA-N 2 1 376.501 0.814 20 0 GCADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1CCC[NH+]1CCC(O)CC1 ZINC001707870653 1184660802 /nfs/dbraw/zinc/66/08/02/1184660802.db2.gz KUODQLYEYJOLOH-QFBILLFUSA-N 2 1 392.548 0.590 20 0 GCADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252081 1184667814 /nfs/dbraw/zinc/66/78/14/1184667814.db2.gz SGHLGTGHGTVQJL-NVXWUHKLSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@@H](O)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252081 1184667819 /nfs/dbraw/zinc/66/78/19/1184667819.db2.gz SGHLGTGHGTVQJL-NVXWUHKLSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@@H](O)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252081 1184667825 /nfs/dbraw/zinc/66/78/25/1184667825.db2.gz SGHLGTGHGTVQJL-NVXWUHKLSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252081 1184667828 /nfs/dbraw/zinc/66/78/28/1184667828.db2.gz SGHLGTGHGTVQJL-NVXWUHKLSA-N 2 1 398.548 0.794 20 0 GCADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252081 1184667831 /nfs/dbraw/zinc/66/78/31/1184667831.db2.gz SGHLGTGHGTVQJL-NVXWUHKLSA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252081 1184667840 /nfs/dbraw/zinc/66/78/40/1184667840.db2.gz SGHLGTGHGTVQJL-NVXWUHKLSA-N 2 1 398.548 0.794 20 0 GCADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1)C1CC1 ZINC001167252081 1184667846 /nfs/dbraw/zinc/66/78/46/1184667846.db2.gz SGHLGTGHGTVQJL-NVXWUHKLSA-N 2 1 398.548 0.794 20 0 GCADMP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCN(c2ccccc2)CC1 ZINC000579931111 1184737012 /nfs/dbraw/zinc/73/70/12/1184737012.db2.gz DCTYTTRRMBPTIH-HKUYNNGSSA-N 2 1 375.517 0.875 20 0 GCADMP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN(c2ncccn2)CC1 ZINC000655704824 1184781800 /nfs/dbraw/zinc/78/18/00/1184781800.db2.gz MADDXEQTDSLZFO-GOSISDBHSA-N 2 1 388.516 0.358 20 0 GCADMP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000655712288 1184783232 /nfs/dbraw/zinc/78/32/32/1184783232.db2.gz IMOGIPWOMORVFV-LJQANCHMSA-N 2 1 387.528 0.963 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000642729487 1184785131 /nfs/dbraw/zinc/78/51/31/1184785131.db2.gz PUDYMJCUSOWUSG-RBUKOAKNSA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@H](NC(=O)C(=O)NCC[NH2+]C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000642729487 1184785133 /nfs/dbraw/zinc/78/51/33/1184785133.db2.gz PUDYMJCUSOWUSG-RBUKOAKNSA-N 2 1 388.512 0.650 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393512 1184814968 /nfs/dbraw/zinc/81/49/68/1184814968.db2.gz LBHDKAZELOJQFS-HYVNUMGLSA-N 2 1 382.505 0.110 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637897 1184846357 /nfs/dbraw/zinc/84/63/57/1184846357.db2.gz MNZRMLQNYRYKOU-ZWKOTPCHSA-N 2 1 389.500 0.442 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000655974152 1184909585 /nfs/dbraw/zinc/90/95/85/1184909585.db2.gz NGQNQVONOMGDHV-KSZLIROESA-N 2 1 377.533 0.857 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)NCC(=O)N2CC[NH2+]CC2)CC1)CC1CC1 ZINC000580052905 1185033610 /nfs/dbraw/zinc/03/36/10/1185033610.db2.gz DVCGKQQADWPTMW-UHFFFAOYSA-N 2 1 379.549 0.962 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@@H]21 ZINC000580165401 1185098612 /nfs/dbraw/zinc/09/86/12/1185098612.db2.gz GCDPANVURNEEAL-OALUTQOASA-N 2 1 392.544 0.500 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)C[C@@H](C)O1 ZINC000580165422 1185099591 /nfs/dbraw/zinc/09/95/91/1185099591.db2.gz IPZJGQSGGYLNPI-WIRSXHRWSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)C[C@@H](C)O1 ZINC000580165422 1185099600 /nfs/dbraw/zinc/09/96/00/1185099600.db2.gz IPZJGQSGGYLNPI-WIRSXHRWSA-N 2 1 392.544 0.641 20 0 GCADMP CN1C(=O)c2ccc(NC(=O)C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2C1=O ZINC000580196227 1185114282 /nfs/dbraw/zinc/11/42/82/1185114282.db2.gz BDMCPKRNOCYQEP-AEFFLSMTSA-N 2 1 386.452 0.679 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c2c(nn1C)CCC2 ZINC000275807407 1185116011 /nfs/dbraw/zinc/11/60/11/1185116011.db2.gz DKAOWBLDVUOAMA-OAHLLOKOSA-N 2 1 390.532 0.722 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000580336549 1185176030 /nfs/dbraw/zinc/17/60/30/1185176030.db2.gz RJISZSYICHMERF-QGZVFWFLSA-N 2 1 390.528 0.586 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000580336549 1185176036 /nfs/dbraw/zinc/17/60/36/1185176036.db2.gz RJISZSYICHMERF-QGZVFWFLSA-N 2 1 390.528 0.586 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000580477454 1185246338 /nfs/dbraw/zinc/24/63/38/1185246338.db2.gz OVWHTZRMRRNNPO-IEBWSBKVSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NC[C@@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000580531744 1185263185 /nfs/dbraw/zinc/26/31/85/1185263185.db2.gz KFKQTMRBHWCJDW-QKLQHJQFSA-N 2 1 389.544 0.999 20 0 GCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000580577911 1185278888 /nfs/dbraw/zinc/27/88/88/1185278888.db2.gz CTUIGNUGWJJCJB-IBGZPJMESA-N 2 1 395.592 0.899 20 0 GCADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000580577911 1185278892 /nfs/dbraw/zinc/27/88/92/1185278892.db2.gz CTUIGNUGWJJCJB-IBGZPJMESA-N 2 1 395.592 0.899 20 0 GCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CC[NH+](CCN(C)C)CC1 ZINC000580577911 1185278899 /nfs/dbraw/zinc/27/88/99/1185278899.db2.gz CTUIGNUGWJJCJB-IBGZPJMESA-N 2 1 395.592 0.899 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)cc2)n1C ZINC000275926425 1185292263 /nfs/dbraw/zinc/29/22/63/1185292263.db2.gz NDVXDYNJHIRDEC-UHFFFAOYSA-N 2 1 388.472 0.681 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000580662366 1185300942 /nfs/dbraw/zinc/30/09/42/1185300942.db2.gz RNKGSFOIHICFNP-UHFFFAOYSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000656284845 1185320852 /nfs/dbraw/zinc/32/08/52/1185320852.db2.gz AHQUAVRGIVHVRA-KURKYZTESA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000656284845 1185320861 /nfs/dbraw/zinc/32/08/61/1185320861.db2.gz AHQUAVRGIVHVRA-KURKYZTESA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000656284845 1185320869 /nfs/dbraw/zinc/32/08/69/1185320869.db2.gz AHQUAVRGIVHVRA-KURKYZTESA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[N@@H+](C)C1CC1 ZINC000557558281 1185356931 /nfs/dbraw/zinc/35/69/31/1185356931.db2.gz SGVWYXBTROSICD-KRWDZBQOSA-N 2 1 393.576 0.461 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275994908 1185389590 /nfs/dbraw/zinc/38/95/90/1185389590.db2.gz NXVFQLSCBMTPIH-UHFFFAOYSA-N 2 1 389.544 0.825 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000580850906 1185395658 /nfs/dbraw/zinc/39/56/58/1185395658.db2.gz VACJXXFGAIDOCI-INIZCTEOSA-N 2 1 380.533 0.689 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401328 /nfs/dbraw/zinc/40/13/28/1185401328.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401329 /nfs/dbraw/zinc/40/13/29/1185401329.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401330 /nfs/dbraw/zinc/40/13/30/1185401330.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401333 /nfs/dbraw/zinc/40/13/33/1185401333.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000656315950 1185401336 /nfs/dbraw/zinc/40/13/36/1185401336.db2.gz NRIJLPWRGCTUAC-QXAKKESOSA-N 2 1 391.560 0.404 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001352 1185421403 /nfs/dbraw/zinc/42/14/03/1185421403.db2.gz KZEGBXVAFZQDSY-INIZCTEOSA-N 2 1 378.521 0.850 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656337536 1185433738 /nfs/dbraw/zinc/43/37/38/1185433738.db2.gz UNMGXNQVTGSWPL-MWDXBVQZSA-N 2 1 382.549 0.837 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000580950114 1185440182 /nfs/dbraw/zinc/44/01/82/1185440182.db2.gz DYSLIQMEQSCPRD-KRWDZBQOSA-N 2 1 385.516 0.958 20 0 GCADMP [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000419356798 1185442935 /nfs/dbraw/zinc/44/29/35/1185442935.db2.gz NLRXBHMLLYYOIO-SJORKVTESA-N 2 1 388.516 0.096 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354293 1185446956 /nfs/dbraw/zinc/44/69/56/1185446956.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354293 1185446961 /nfs/dbraw/zinc/44/69/61/1185446961.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656354293 1185446964 /nfs/dbraw/zinc/44/69/64/1185446964.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656354293 1185446968 /nfs/dbraw/zinc/44/69/68/1185446968.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354293 1185446973 /nfs/dbraw/zinc/44/69/73/1185446973.db2.gz BTEKDEJUTBZVJX-MOPGFXCFSA-N 2 1 393.576 0.604 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1 ZINC000656353651 1185449232 /nfs/dbraw/zinc/44/92/32/1185449232.db2.gz BRVXSHFMYCBLGN-MSOLQXFVSA-N 2 1 380.533 0.425 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967098 1185452878 /nfs/dbraw/zinc/45/28/78/1185452878.db2.gz AMHWIBBANJCGMX-OALUTQOASA-N 2 1 393.576 0.463 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356146 1185454421 /nfs/dbraw/zinc/45/44/21/1185454421.db2.gz QXALUBZYFSLZHA-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000656356146 1185454424 /nfs/dbraw/zinc/45/44/24/1185454424.db2.gz QXALUBZYFSLZHA-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656356146 1185454428 /nfs/dbraw/zinc/45/44/28/1185454428.db2.gz QXALUBZYFSLZHA-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656356146 1185454433 /nfs/dbraw/zinc/45/44/33/1185454433.db2.gz QXALUBZYFSLZHA-ZACQAIPSSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356145 1185454873 /nfs/dbraw/zinc/45/48/73/1185454873.db2.gz QXALUBZYFSLZHA-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356145 1185454876 /nfs/dbraw/zinc/45/48/76/1185454876.db2.gz QXALUBZYFSLZHA-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356145 1185454880 /nfs/dbraw/zinc/45/48/80/1185454880.db2.gz QXALUBZYFSLZHA-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356145 1185454885 /nfs/dbraw/zinc/45/48/85/1185454885.db2.gz QXALUBZYFSLZHA-IXDOHACOSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356459 1185456914 /nfs/dbraw/zinc/45/69/14/1185456914.db2.gz DMTIKFPNOMEVQD-QXAKKESOSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356459 1185456918 /nfs/dbraw/zinc/45/69/18/1185456918.db2.gz DMTIKFPNOMEVQD-QXAKKESOSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356459 1185456921 /nfs/dbraw/zinc/45/69/21/1185456921.db2.gz DMTIKFPNOMEVQD-QXAKKESOSA-N 2 1 392.544 0.831 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000656356882 1185457526 /nfs/dbraw/zinc/45/75/26/1185457526.db2.gz HUZHPNAHEBGSSR-QYZOEREBSA-N 2 1 392.544 0.690 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360882 1185465879 /nfs/dbraw/zinc/46/58/79/1185465879.db2.gz WZCGCPBTOXYTIC-RBUKOAKNSA-N 2 1 392.544 0.690 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891356494 1185471280 /nfs/dbraw/zinc/47/12/80/1185471280.db2.gz KVFDNMKTJCJZGY-GOSISDBHSA-N 2 1 381.565 0.862 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000581204666 1185528555 /nfs/dbraw/zinc/52/85/55/1185528555.db2.gz VCCLJLWNHLYNOD-MRXNPFEDSA-N 2 1 382.549 0.671 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000581204666 1185528561 /nfs/dbraw/zinc/52/85/61/1185528561.db2.gz VCCLJLWNHLYNOD-MRXNPFEDSA-N 2 1 382.549 0.671 20 0 GCADMP CC(C)Nc1nc(N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)nc(NCCO)[nH+]1 ZINC000581208630 1185530684 /nfs/dbraw/zinc/53/06/84/1185530684.db2.gz UGDOWNAJUAQWIK-XHSDSOJGSA-N 2 1 377.537 0.782 20 0 GCADMP CC(C)Nc1nc(N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)nc(NCCO)[nH+]1 ZINC000581208630 1185530688 /nfs/dbraw/zinc/53/06/88/1185530688.db2.gz UGDOWNAJUAQWIK-XHSDSOJGSA-N 2 1 377.537 0.782 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000581211035 1185531315 /nfs/dbraw/zinc/53/13/15/1185531315.db2.gz DYKJHHZBUUVTHD-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCCO1 ZINC000581211035 1185531319 /nfs/dbraw/zinc/53/13/19/1185531319.db2.gz DYKJHHZBUUVTHD-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CCCO1 ZINC000581211035 1185531323 /nfs/dbraw/zinc/53/13/23/1185531323.db2.gz DYKJHHZBUUVTHD-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001021806229 1185565450 /nfs/dbraw/zinc/56/54/50/1185565450.db2.gz MXUUMKUELSJJLI-INDMIFKZSA-N 2 1 392.544 0.498 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CN(C(=O)CC[NH+]4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001021806229 1185565453 /nfs/dbraw/zinc/56/54/53/1185565453.db2.gz MXUUMKUELSJJLI-INDMIFKZSA-N 2 1 392.544 0.498 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000581299702 1185574154 /nfs/dbraw/zinc/57/41/54/1185574154.db2.gz XVZIWTUFZJSVDS-MSOLQXFVSA-N 2 1 395.548 0.197 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000581324616 1185595668 /nfs/dbraw/zinc/59/56/68/1185595668.db2.gz LAZILCHBMOUBMF-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000581324616 1185595673 /nfs/dbraw/zinc/59/56/73/1185595673.db2.gz LAZILCHBMOUBMF-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000581324616 1185595677 /nfs/dbraw/zinc/59/56/77/1185595677.db2.gz LAZILCHBMOUBMF-RTBURBONSA-N 2 1 393.576 0.463 20 0 GCADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCN2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000581372854 1185622649 /nfs/dbraw/zinc/62/26/49/1185622649.db2.gz AZZIMIMHDADMIG-UHFFFAOYSA-N 3 1 387.572 0.852 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576445 1185631672 /nfs/dbraw/zinc/63/16/72/1185631672.db2.gz XILQKNPOWWWHJF-ORIJERBGSA-N 2 1 382.530 0.959 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576445 1185631674 /nfs/dbraw/zinc/63/16/74/1185631674.db2.gz XILQKNPOWWWHJF-ORIJERBGSA-N 2 1 382.530 0.959 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000471648978 1185647041 /nfs/dbraw/zinc/64/70/41/1185647041.db2.gz WXRITBBXQBWAAV-OALUTQOASA-N 2 1 378.517 0.747 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590208 1185651189 /nfs/dbraw/zinc/65/11/89/1185651189.db2.gz BSVUJTRRJSZHNU-SJORKVTESA-N 2 1 394.541 0.579 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000430590208 1185651192 /nfs/dbraw/zinc/65/11/92/1185651192.db2.gz BSVUJTRRJSZHNU-SJORKVTESA-N 2 1 394.541 0.579 20 0 GCADMP C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430594666 1185662281 /nfs/dbraw/zinc/66/22/81/1185662281.db2.gz GUKMHHNRBFJBLX-ZDUSSCGKSA-N 2 1 384.502 0.491 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430595210 1185666859 /nfs/dbraw/zinc/66/68/59/1185666859.db2.gz HMZAFDBOAQGDOT-GDBMZVCRSA-N 2 1 382.530 0.442 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419487034 1185670937 /nfs/dbraw/zinc/67/09/37/1185670937.db2.gz ARVNHWZNBMMSLC-SQNIBIBYSA-N 2 1 387.528 0.699 20 0 GCADMP CN(CCOc1ccc(Cl)cc1)C(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430599305 1185679262 /nfs/dbraw/zinc/67/92/62/1185679262.db2.gz ADPKEBYNTLQWOB-HNNXBMFYSA-N 2 1 396.919 0.964 20 0 GCADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000581429230 1185687178 /nfs/dbraw/zinc/68/71/78/1185687178.db2.gz CWKSZUYFBKHOID-MSOLQXFVSA-N 2 1 389.544 0.553 20 0 GCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436862 1185689787 /nfs/dbraw/zinc/68/97/87/1185689787.db2.gz FICIHDDSYNJSDR-CVEARBPZSA-N 2 1 383.514 0.898 20 0 GCADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436862 1185689792 /nfs/dbraw/zinc/68/97/92/1185689792.db2.gz FICIHDDSYNJSDR-CVEARBPZSA-N 2 1 383.514 0.898 20 0 GCADMP C[N@@H+](CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)Cc1ccccc1 ZINC000891412298 1185711926 /nfs/dbraw/zinc/71/19/26/1185711926.db2.gz JAMATELLHPRZGW-KSZLIROESA-N 2 1 387.484 0.695 20 0 GCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(C)CC(=O)N2CC[NH2+]CC2)CC1 ZINC000430607999 1185724959 /nfs/dbraw/zinc/72/49/59/1185724959.db2.gz CANMLLFNMBTDMS-UHFFFAOYSA-N 2 1 387.528 0.003 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430609575 1185751892 /nfs/dbraw/zinc/75/18/92/1185751892.db2.gz HMSGRNPXDJHYBV-MRXNPFEDSA-N 2 1 391.491 0.261 20 0 GCADMP CS(=O)(=O)c1ccc(OCCC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430610404 1185756692 /nfs/dbraw/zinc/75/66/92/1185756692.db2.gz KRYGVRBVDQLKNU-HNNXBMFYSA-N 2 1 383.514 0.646 20 0 GCADMP COc1cc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000430611262 1185762026 /nfs/dbraw/zinc/76/20/26/1185762026.db2.gz NZBYDBKQNJUIKG-HNNXBMFYSA-N 2 1 390.484 0.786 20 0 GCADMP COc1cc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000430611262 1185762031 /nfs/dbraw/zinc/76/20/31/1185762031.db2.gz NZBYDBKQNJUIKG-HNNXBMFYSA-N 2 1 390.484 0.786 20 0 GCADMP O=C(CC[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccc2c(c1)OCO2 ZINC000430617906 1185786434 /nfs/dbraw/zinc/78/64/34/1185786434.db2.gz PXKAXPPDNMKJFW-OAHLLOKOSA-N 2 1 388.468 0.888 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000430620687 1185796664 /nfs/dbraw/zinc/79/66/64/1185796664.db2.gz COLSEDINKHJCEU-ROUUACIJSA-N 2 1 386.496 0.250 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000581634412 1185799914 /nfs/dbraw/zinc/79/99/14/1185799914.db2.gz NEUCZLQTDUFFLH-INIZCTEOSA-N 2 1 380.533 0.570 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1=CC[N@@H+](C)CC1 ZINC000581634412 1185799916 /nfs/dbraw/zinc/79/99/16/1185799916.db2.gz NEUCZLQTDUFFLH-INIZCTEOSA-N 2 1 380.533 0.570 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CCO1 ZINC000642808244 1185805669 /nfs/dbraw/zinc/80/56/69/1185805669.db2.gz UMBWRRQUPLYVEK-SNRMKQJTSA-N 2 1 388.512 0.588 20 0 GCADMP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626479 1185811769 /nfs/dbraw/zinc/81/17/69/1185811769.db2.gz LCVOWXOZJOXAIM-SJLPKXTDSA-N 2 1 388.512 0.844 20 0 GCADMP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430633004 1185822277 /nfs/dbraw/zinc/82/22/77/1185822277.db2.gz ZTPLXYKSEWZCHR-PMPSAXMXSA-N 2 1 390.484 0.118 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C1 ZINC000430634476 1185824800 /nfs/dbraw/zinc/82/48/00/1185824800.db2.gz RXCBGSHWFKQUNL-INIZCTEOSA-N 2 1 393.557 0.179 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1)c1ccccc1 ZINC000625809427 1185838897 /nfs/dbraw/zinc/83/88/97/1185838897.db2.gz KJPCKCYLZUZBMN-GOSISDBHSA-N 2 1 399.499 0.433 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCCOC1CCCCC1 ZINC000430641011 1185842531 /nfs/dbraw/zinc/84/25/31/1185842531.db2.gz RXHZCGCCTJROLD-SFHVURJKSA-N 2 1 394.560 0.986 20 0 GCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430641931 1185846409 /nfs/dbraw/zinc/84/64/09/1185846409.db2.gz JPEIGVUMEWJMCM-ZIAGYGMSSA-N 2 1 376.457 0.572 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430643840 1185855463 /nfs/dbraw/zinc/85/54/63/1185855463.db2.gz MMSOVJSJEABEPI-IBGZPJMESA-N 2 1 398.511 0.335 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC(=O)Nc2ccccc21 ZINC000430644014 1185855966 /nfs/dbraw/zinc/85/59/66/1185855966.db2.gz YPKOJEPPAKROSC-HNNXBMFYSA-N 2 1 385.468 0.116 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CC(=O)Nc2ccccc21 ZINC000430644014 1185855974 /nfs/dbraw/zinc/85/59/74/1185855974.db2.gz YPKOJEPPAKROSC-HNNXBMFYSA-N 2 1 385.468 0.116 20 0 GCADMP C[C@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645831 1185858225 /nfs/dbraw/zinc/85/82/25/1185858225.db2.gz ORUDSRUAQVNJJX-CABCVRRESA-N 2 1 390.484 0.962 20 0 GCADMP CN(CCCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430647360 1185862831 /nfs/dbraw/zinc/86/28/31/1185862831.db2.gz XTAFOHADDSJLSJ-QGZVFWFLSA-N 2 1 375.517 0.416 20 0 GCADMP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430648057 1185863192 /nfs/dbraw/zinc/86/31/92/1185863192.db2.gz GNELMTVTFMFEFY-GOSISDBHSA-N 2 1 390.528 0.919 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c2cccs2)CC1 ZINC000581716598 1185863588 /nfs/dbraw/zinc/86/35/88/1185863588.db2.gz HUZFBEBXVSFSAF-CVEARBPZSA-N 2 1 393.557 0.269 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891483487 1185886759 /nfs/dbraw/zinc/88/67/59/1185886759.db2.gz QJMXKGGCZLWFDW-UONOGXRCSA-N 2 1 375.464 0.473 20 0 GCADMP COc1ccc(C[C@](C)(CO)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1OC ZINC000933444287 1185895897 /nfs/dbraw/zinc/89/58/97/1185895897.db2.gz IMDWMZWCOIZYJP-HXUWFJFHSA-N 2 1 379.501 0.751 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000430658391 1185900163 /nfs/dbraw/zinc/90/01/63/1185900163.db2.gz XKJASKGXNHGVAJ-MSOLQXFVSA-N 2 1 387.528 0.416 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891536044 1185907950 /nfs/dbraw/zinc/90/79/50/1185907950.db2.gz BMICXTRDYYVJKN-DGCLKSJQSA-N 2 1 379.427 0.318 20 0 GCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891536899 1185910297 /nfs/dbraw/zinc/91/02/97/1185910297.db2.gz WYDZIGCTTSSNIV-XZDPQHSOSA-N 2 1 376.461 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000581846163 1185912341 /nfs/dbraw/zinc/91/23/41/1185912341.db2.gz GLWXKEZWTUTQOU-UHFFFAOYSA-N 2 1 392.504 0.032 20 0 GCADMP Cc1cccc(OCCNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430664905 1185918526 /nfs/dbraw/zinc/91/85/26/1185918526.db2.gz LYTCNRQUVWCDTB-GOSISDBHSA-N 2 1 388.512 0.634 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559237 1185919928 /nfs/dbraw/zinc/91/99/28/1185919928.db2.gz CXWBDIMSGDWGQV-FUHWJXTLSA-N 2 1 379.549 0.613 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559237 1185919933 /nfs/dbraw/zinc/91/99/33/1185919933.db2.gz CXWBDIMSGDWGQV-FUHWJXTLSA-N 2 1 379.549 0.613 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559238 1185920455 /nfs/dbraw/zinc/92/04/55/1185920455.db2.gz CXWBDIMSGDWGQV-SJLPKXTDSA-N 2 1 379.549 0.613 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC[C@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559238 1185920459 /nfs/dbraw/zinc/92/04/59/1185920459.db2.gz CXWBDIMSGDWGQV-SJLPKXTDSA-N 2 1 379.549 0.613 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891578908 1185924805 /nfs/dbraw/zinc/92/48/05/1185924805.db2.gz COFAWAPZNNRCSR-NXOAAHMSSA-N 2 1 379.505 0.827 20 0 GCADMP O=C(NC1C[NH2+]C1)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000581874718 1185925200 /nfs/dbraw/zinc/92/52/00/1185925200.db2.gz OQKHCYNLLALPIT-UHFFFAOYSA-N 2 1 383.452 0.510 20 0 GCADMP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665371 1185928131 /nfs/dbraw/zinc/92/81/31/1185928131.db2.gz MQBBUFZYKLKVLB-GOEBONIOSA-N 2 1 387.484 0.256 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419897869 1185975448 /nfs/dbraw/zinc/97/54/48/1185975448.db2.gz OZEPWMDMGIMFRD-MSOLQXFVSA-N 2 1 387.528 0.653 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419897872 1185975981 /nfs/dbraw/zinc/97/59/81/1185975981.db2.gz OZEPWMDMGIMFRD-QZTJIDSGSA-N 2 1 387.528 0.653 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419891209 1185977252 /nfs/dbraw/zinc/97/72/52/1185977252.db2.gz IIXHZFJKFIFMBI-ROUUACIJSA-N 2 1 382.549 0.970 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891698008 1185982791 /nfs/dbraw/zinc/98/27/91/1185982791.db2.gz WGOUAVMTNCCCGD-FJIDUMEYSA-N 2 1 393.532 0.931 20 0 GCADMP COCC[C@]1(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]C1 ZINC000430803979 1186032353 /nfs/dbraw/zinc/03/23/53/1186032353.db2.gz BHYCCXHXCHMYKY-YLJYHZDGSA-N 2 1 375.517 0.725 20 0 GCADMP C[C@@H](CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000430865974 1186043100 /nfs/dbraw/zinc/04/31/00/1186043100.db2.gz PMVNXCJHKPZDQC-HOTGVXAUSA-N 2 1 376.505 0.621 20 0 GCADMP Cc1cc(S(N)(=O)=O)cc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1C ZINC000431014979 1186103010 /nfs/dbraw/zinc/10/30/10/1186103010.db2.gz QQWQBJAGGGONET-UHFFFAOYSA-N 2 1 380.514 0.965 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865450 1186107141 /nfs/dbraw/zinc/10/71/41/1186107141.db2.gz PGTRIXDWIGWRNF-XUWVNRHRSA-N 2 1 379.505 0.683 20 0 GCADMP CCC[N@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000431089504 1186126225 /nfs/dbraw/zinc/12/62/25/1186126225.db2.gz ZQUHKVVKYMCRBD-UHFFFAOYSA-N 2 1 382.530 0.457 20 0 GCADMP CCC[N@@H+](CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CC[NH2+]CC1 ZINC000431089504 1186126229 /nfs/dbraw/zinc/12/62/29/1186126229.db2.gz ZQUHKVVKYMCRBD-UHFFFAOYSA-N 2 1 382.530 0.457 20 0 GCADMP C[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000891923573 1186160846 /nfs/dbraw/zinc/16/08/46/1186160846.db2.gz PAJQTZCSASXVOA-GOSISDBHSA-N 2 1 389.544 0.953 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891929475 1186166457 /nfs/dbraw/zinc/16/64/57/1186166457.db2.gz OUQULEWSJCRUCK-ROUUACIJSA-N 2 1 395.548 0.218 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000891929475 1186166459 /nfs/dbraw/zinc/16/64/59/1186166459.db2.gz OUQULEWSJCRUCK-ROUUACIJSA-N 2 1 395.548 0.218 20 0 GCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154638 1186313283 /nfs/dbraw/zinc/31/32/83/1186313283.db2.gz RMBPIUSUDRGUSR-SFHVURJKSA-N 2 1 388.512 0.578 20 0 GCADMP NC(=O)CCN(Cc1ccccc1)C(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563154638 1186313289 /nfs/dbraw/zinc/31/32/89/1186313289.db2.gz RMBPIUSUDRGUSR-SFHVURJKSA-N 2 1 388.512 0.578 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000431330364 1186366574 /nfs/dbraw/zinc/36/65/74/1186366574.db2.gz VVLBZOITLTXGDO-SFHVURJKSA-N 2 1 382.549 0.650 20 0 GCADMP CC(=O)N1CC[NH+](Cc2ccc(NC(=O)CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000582060781 1186388144 /nfs/dbraw/zinc/38/81/44/1186388144.db2.gz DXCXBBICEVLBGF-SFHVURJKSA-N 2 1 387.484 0.157 20 0 GCADMP CC(C)[NH+](CCNC(=O)C1CCN(C(=O)CN2CC[NH+](C)CC2)CC1)C(C)C ZINC000600959582 1186471996 /nfs/dbraw/zinc/47/19/96/1186471996.db2.gz IYBZKNZBLNMDHD-UHFFFAOYSA-N 2 1 395.592 0.707 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000582256238 1186476366 /nfs/dbraw/zinc/47/63/66/1186476366.db2.gz KCKFZCPLHZQPTQ-MOPGFXCFSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000582256238 1186476370 /nfs/dbraw/zinc/47/63/70/1186476370.db2.gz KCKFZCPLHZQPTQ-MOPGFXCFSA-N 2 1 395.592 0.613 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000582256238 1186476374 /nfs/dbraw/zinc/47/63/74/1186476374.db2.gz KCKFZCPLHZQPTQ-MOPGFXCFSA-N 2 1 395.592 0.613 20 0 GCADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC1 ZINC000582252538 1186478420 /nfs/dbraw/zinc/47/84/20/1186478420.db2.gz KFBVXPMNEPSPKQ-ROUUACIJSA-N 2 1 385.512 0.995 20 0 GCADMP O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582357908 1186503002 /nfs/dbraw/zinc/50/30/02/1186503002.db2.gz VDMLBQDXKDWERE-QGZVFWFLSA-N 2 1 398.515 0.367 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000582360839 1186503594 /nfs/dbraw/zinc/50/35/94/1186503594.db2.gz UGINYCKWRGDATH-DLBZAZTESA-N 2 1 394.541 0.314 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H](C)O1 ZINC000582434373 1186530827 /nfs/dbraw/zinc/53/08/27/1186530827.db2.gz RVDVSUGTGLEEEB-XMTFNYHQSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C[C@H](C)O1 ZINC000582434373 1186530831 /nfs/dbraw/zinc/53/08/31/1186530831.db2.gz RVDVSUGTGLEEEB-XMTFNYHQSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C[C@H](C)O1 ZINC000582434373 1186530834 /nfs/dbraw/zinc/53/08/34/1186530834.db2.gz RVDVSUGTGLEEEB-XMTFNYHQSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C[C@H](C)O1 ZINC000582434373 1186530839 /nfs/dbraw/zinc/53/08/39/1186530839.db2.gz RVDVSUGTGLEEEB-XMTFNYHQSA-N 2 1 394.560 0.933 20 0 GCADMP CC(C)[N@H+]1CC[C@H](C(=O)N2CCN(C)CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980444 1186565993 /nfs/dbraw/zinc/56/59/93/1186565993.db2.gz BZLHPUHJDWFVNM-PMACEKPBSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980444 1186565996 /nfs/dbraw/zinc/56/59/96/1186565996.db2.gz BZLHPUHJDWFVNM-PMACEKPBSA-N 2 1 390.576 0.940 20 0 GCADMP CC(C)[NH+]1CC[C@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000888980444 1186565998 /nfs/dbraw/zinc/56/59/98/1186565998.db2.gz BZLHPUHJDWFVNM-PMACEKPBSA-N 2 1 390.576 0.940 20 0 GCADMP CN1CCN(C(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CC[N@@H+](C)CC1 ZINC000888980835 1186578721 /nfs/dbraw/zinc/57/87/21/1186578721.db2.gz RLLCMMKLJLMMQC-INIZCTEOSA-N 2 1 385.553 0.537 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000582595612 1186579213 /nfs/dbraw/zinc/57/92/13/1186579213.db2.gz OKWMSHCDMPKENI-ZWKOTPCHSA-N 2 1 377.533 0.928 20 0 GCADMP COCC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073439458 1186598990 /nfs/dbraw/zinc/59/89/90/1186598990.db2.gz RYLAVLQDCVGGAF-SFHVURJKSA-N 2 1 375.517 0.821 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCCC[C@H]1C ZINC000582701990 1186616831 /nfs/dbraw/zinc/61/68/31/1186616831.db2.gz WTXWPGQABFZAHM-HZPDHXFCSA-N 2 1 390.532 1.467 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCN1CCOC ZINC000582740176 1186646382 /nfs/dbraw/zinc/64/63/82/1186646382.db2.gz HZUYDZPAAZTTGJ-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000582740176 1186646398 /nfs/dbraw/zinc/64/63/98/1186646398.db2.gz HZUYDZPAAZTTGJ-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000582740176 1186646402 /nfs/dbraw/zinc/64/64/02/1186646402.db2.gz HZUYDZPAAZTTGJ-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740176 1186646438 /nfs/dbraw/zinc/64/64/38/1186646438.db2.gz HZUYDZPAAZTTGJ-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000582740176 1186646466 /nfs/dbraw/zinc/64/64/66/1186646466.db2.gz HZUYDZPAAZTTGJ-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000564496516 1186683055 /nfs/dbraw/zinc/68/30/55/1186683055.db2.gz LQRHUWDIYUEUIP-QGZVFWFLSA-N 2 1 392.544 0.856 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642921700 1186684883 /nfs/dbraw/zinc/68/48/83/1186684883.db2.gz RQRXLNHLWSMTBA-OALUTQOASA-N 2 1 387.528 0.430 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642921700 1186684889 /nfs/dbraw/zinc/68/48/89/1186684889.db2.gz RQRXLNHLWSMTBA-OALUTQOASA-N 2 1 387.528 0.430 20 0 GCADMP C[NH2+]CCC1CC[NH+](CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)CC1 ZINC000564987784 1186699864 /nfs/dbraw/zinc/69/98/64/1186699864.db2.gz MSGFTSKLXFGICE-UHFFFAOYSA-N 2 1 379.505 0.289 20 0 GCADMP COCC[NH+]1CCC([NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000582840756 1186708168 /nfs/dbraw/zinc/70/81/68/1186708168.db2.gz JXGOCIYVWZOSLK-QGZVFWFLSA-N 2 1 376.457 0.565 20 0 GCADMP COCC[NH+]1CCC([NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1 ZINC000582840755 1186708330 /nfs/dbraw/zinc/70/83/30/1186708330.db2.gz JXGOCIYVWZOSLK-KRWDZBQOSA-N 2 1 376.457 0.565 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000582863931 1186716546 /nfs/dbraw/zinc/71/65/46/1186716546.db2.gz GXVPWWYNTZITLD-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000582863931 1186716548 /nfs/dbraw/zinc/71/65/48/1186716548.db2.gz GXVPWWYNTZITLD-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582895919 1186724695 /nfs/dbraw/zinc/72/46/95/1186724695.db2.gz WCXIHMKGLBQQFK-ZWKOTPCHSA-N 2 1 387.528 0.409 20 0 GCADMP C[N@@H+](CCO)C1CCN(C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000161601694 1186725768 /nfs/dbraw/zinc/72/57/68/1186725768.db2.gz BHRYIACFFXKMSQ-UHFFFAOYSA-N 2 1 390.532 0.432 20 0 GCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000582964786 1186737670 /nfs/dbraw/zinc/73/76/70/1186737670.db2.gz MTGDKJTUFHJXLG-HNNXBMFYSA-N 2 1 391.468 0.598 20 0 GCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)NCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000582964786 1186737674 /nfs/dbraw/zinc/73/76/74/1186737674.db2.gz MTGDKJTUFHJXLG-HNNXBMFYSA-N 2 1 391.468 0.598 20 0 GCADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000121828818 1186744224 /nfs/dbraw/zinc/74/42/24/1186744224.db2.gz WIWVOFROYMQTSJ-OAQYLSRUSA-N 2 1 391.560 0.806 20 0 GCADMP CC1CC[NH+](CCNC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000079267692 1186751148 /nfs/dbraw/zinc/75/11/48/1186751148.db2.gz BMOYFWGQJJKBNX-UHFFFAOYSA-N 2 1 379.549 0.914 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000583041580 1186755430 /nfs/dbraw/zinc/75/54/30/1186755430.db2.gz IWVIZRNQFNASQU-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP [NH3+]C[C@H]1C[N@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC12CCOCC2 ZINC000583084363 1186766903 /nfs/dbraw/zinc/76/69/03/1186766903.db2.gz RQPWGMIXKIBQIX-INIZCTEOSA-N 2 1 390.484 0.251 20 0 GCADMP [NH3+]C[C@H]1C[N@@H+](CC(=O)N2CCN(C(=O)c3ccco3)CC2)CC12CCOCC2 ZINC000583084363 1186766908 /nfs/dbraw/zinc/76/69/08/1186766908.db2.gz RQPWGMIXKIBQIX-INIZCTEOSA-N 2 1 390.484 0.251 20 0 GCADMP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458450443 1186807448 /nfs/dbraw/zinc/80/74/48/1186807448.db2.gz ZNFIWVLBISTZIS-QGZVFWFLSA-N 2 1 396.580 0.289 20 0 GCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458450443 1186807453 /nfs/dbraw/zinc/80/74/53/1186807453.db2.gz ZNFIWVLBISTZIS-QGZVFWFLSA-N 2 1 396.580 0.289 20 0 GCADMP CCN1CC[NH+](CC(C)(C)NC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000458450443 1186807455 /nfs/dbraw/zinc/80/74/55/1186807455.db2.gz ZNFIWVLBISTZIS-QGZVFWFLSA-N 2 1 396.580 0.289 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)[C@H]2C1 ZINC000583340550 1186830949 /nfs/dbraw/zinc/83/09/49/1186830949.db2.gz QNMWOOYQSWAPQS-JZXOWHBKSA-N 2 1 378.517 0.156 20 0 GCADMP [NH3+][C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+](CCc4ccccc4)C3)CCN2C1=O ZINC000583392501 1186844264 /nfs/dbraw/zinc/84/42/64/1186844264.db2.gz IKEJGSASJRVWCX-CEXWTWQISA-N 2 1 385.512 0.504 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000672008535 1186855906 /nfs/dbraw/zinc/85/59/06/1186855906.db2.gz AGYMMXHHOURYIA-MRXNPFEDSA-N 2 1 382.549 0.650 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000583558916 1186885862 /nfs/dbraw/zinc/88/58/62/1186885862.db2.gz VYGYQWBUYPBFTQ-JFRXWTBNSA-N 2 1 392.544 0.545 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472298370 1186920337 /nfs/dbraw/zinc/92/03/37/1186920337.db2.gz WWYAUFJGDPTWHZ-SFHVURJKSA-N 2 1 390.532 0.558 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000583766364 1186935007 /nfs/dbraw/zinc/93/50/07/1186935007.db2.gz HCWVGTINOSKRPH-OKZBNKHCSA-N 2 1 390.528 0.812 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000583778180 1186937243 /nfs/dbraw/zinc/93/72/43/1186937243.db2.gz GIQUVWUSUZAREV-APWZRJJASA-N 2 1 391.560 0.071 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[NH+](C2CCCC2)CC1 ZINC000329430554 1186937948 /nfs/dbraw/zinc/93/79/48/1186937948.db2.gz HOWGEVZIEBGUKM-LJQANCHMSA-N 2 1 392.544 0.787 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000329494626 1186951279 /nfs/dbraw/zinc/95/12/79/1186951279.db2.gz UPTMISXGKBXFLM-SFHVURJKSA-N 2 1 380.533 0.500 20 0 GCADMP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458767589 1186982128 /nfs/dbraw/zinc/98/21/28/1186982128.db2.gz DCUGJKPTVSSOQZ-KRWDZBQOSA-N 2 1 379.505 0.668 20 0 GCADMP COc1ccccc1N1CC[C@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)C1=O ZINC000151597938 1186997565 /nfs/dbraw/zinc/99/75/65/1186997565.db2.gz AONIGTRKFYUZIC-SFHVURJKSA-N 2 1 390.528 0.780 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C[NH3+])cc2)cc1 ZINC000584113628 1187002143 /nfs/dbraw/zinc/00/21/43/1187002143.db2.gz ZRDPDXQAGCIUHI-UHFFFAOYSA-N 2 1 383.452 0.900 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000080675914 1187019880 /nfs/dbraw/zinc/01/98/80/1187019880.db2.gz HJSBLOOSYVFXHX-KRWDZBQOSA-N 2 1 379.549 0.912 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000080675914 1187019884 /nfs/dbraw/zinc/01/98/84/1187019884.db2.gz HJSBLOOSYVFXHX-KRWDZBQOSA-N 2 1 379.549 0.912 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000080675906 1187020133 /nfs/dbraw/zinc/02/01/33/1187020133.db2.gz HJSBLOOSYVFXHX-QGZVFWFLSA-N 2 1 379.549 0.912 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000080675906 1187020139 /nfs/dbraw/zinc/02/01/39/1187020139.db2.gz HJSBLOOSYVFXHX-QGZVFWFLSA-N 2 1 379.549 0.912 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000584245842 1187020808 /nfs/dbraw/zinc/02/08/08/1187020808.db2.gz SXZCMBFHSMKZGK-SFHVURJKSA-N 2 1 380.533 0.689 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@H+]1CCOC ZINC000584245842 1187020812 /nfs/dbraw/zinc/02/08/12/1187020812.db2.gz SXZCMBFHSMKZGK-SFHVURJKSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@@H](CC[NH+]1CCOCC1)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000081395163 1187045807 /nfs/dbraw/zinc/04/58/07/1187045807.db2.gz DZKLBVJDEXAHFG-SFHVURJKSA-N 2 1 375.517 0.821 20 0 GCADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC(O)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000643353531 1187050426 /nfs/dbraw/zinc/05/04/26/1187050426.db2.gz IVEVBVKZUTVTGO-DLBZAZTESA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000643353531 1187050432 /nfs/dbraw/zinc/05/04/32/1187050432.db2.gz IVEVBVKZUTVTGO-DLBZAZTESA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)NCC1(O)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000643353531 1187050440 /nfs/dbraw/zinc/05/04/40/1187050440.db2.gz IVEVBVKZUTVTGO-DLBZAZTESA-N 2 1 380.533 0.425 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685304096 1187059678 /nfs/dbraw/zinc/05/96/78/1187059678.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304096 1187059683 /nfs/dbraw/zinc/05/96/83/1187059683.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000685304096 1187059689 /nfs/dbraw/zinc/05/96/89/1187059689.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000685304096 1187059690 /nfs/dbraw/zinc/05/96/90/1187059690.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 2 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685304096 1187059695 /nfs/dbraw/zinc/05/96/95/1187059695.db2.gz YTTCXDTVVRBKEW-MNEFBYGVSA-N 3 1 391.560 0.212 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000685306299 1187062492 /nfs/dbraw/zinc/06/24/92/1187062492.db2.gz AUNIYSMRYYUITI-SOLBZPMBSA-N 2 1 378.517 0.156 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C[C@H](O)COC3CCOCC3)cc2)CC1 ZINC000584449567 1187068244 /nfs/dbraw/zinc/06/82/44/1187068244.db2.gz OOSRWLRULOJEJR-IBGZPJMESA-N 2 1 391.512 0.720 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000563912367 1187087426 /nfs/dbraw/zinc/08/74/26/1187087426.db2.gz RLNFYOZOKKPONY-NJAFHUGGSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000563912366 1187087654 /nfs/dbraw/zinc/08/76/54/1187087654.db2.gz RLNFYOZOKKPONY-KBAYOESNSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336888 1187101724 /nfs/dbraw/zinc/10/17/24/1187101724.db2.gz SLXROWCVKSWOAO-QYZOEREBSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336888 1187101725 /nfs/dbraw/zinc/10/17/25/1187101725.db2.gz SLXROWCVKSWOAO-QYZOEREBSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336843 1187102045 /nfs/dbraw/zinc/10/20/45/1187102045.db2.gz RKEWBCOLOJCKEP-OKYOBFRVSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685336843 1187102049 /nfs/dbraw/zinc/10/20/49/1187102049.db2.gz RKEWBCOLOJCKEP-OKYOBFRVSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336843 1187102055 /nfs/dbraw/zinc/10/20/55/1187102055.db2.gz RKEWBCOLOJCKEP-OKYOBFRVSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336843 1187102057 /nfs/dbraw/zinc/10/20/57/1187102057.db2.gz RKEWBCOLOJCKEP-OKYOBFRVSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685339125 1187102771 /nfs/dbraw/zinc/10/27/71/1187102771.db2.gz HJSHIJFMHGNJCT-IDCNUPLLSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000685339125 1187102776 /nfs/dbraw/zinc/10/27/76/1187102776.db2.gz HJSHIJFMHGNJCT-IDCNUPLLSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685339125 1187102779 /nfs/dbraw/zinc/10/27/79/1187102779.db2.gz HJSHIJFMHGNJCT-IDCNUPLLSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685339125 1187102784 /nfs/dbraw/zinc/10/27/84/1187102784.db2.gz HJSHIJFMHGNJCT-IDCNUPLLSA-N 2 1 378.517 0.297 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC000685342874 1187108197 /nfs/dbraw/zinc/10/81/97/1187108197.db2.gz JUWPNKPQPUQVBN-QFBILLFUSA-N 2 1 390.528 0.932 20 0 GCADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC000685342874 1187108200 /nfs/dbraw/zinc/10/82/00/1187108200.db2.gz JUWPNKPQPUQVBN-QFBILLFUSA-N 2 1 390.528 0.932 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1C[N@H+](C)CCO1 ZINC000685342482 1187108262 /nfs/dbraw/zinc/10/82/62/1187108262.db2.gz YWNCWSRDCGSIAW-GDBMZVCRSA-N 2 1 382.530 0.474 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@H]1C[N@@H+](C)CCO1 ZINC000685342482 1187108265 /nfs/dbraw/zinc/10/82/65/1187108265.db2.gz YWNCWSRDCGSIAW-GDBMZVCRSA-N 2 1 382.530 0.474 20 0 GCADMP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685342911 1187109061 /nfs/dbraw/zinc/10/90/61/1187109061.db2.gz OWESYPQZNNWNBQ-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[NH+](C)CCO2)CC1 ZINC000685342911 1187109065 /nfs/dbraw/zinc/10/90/65/1187109065.db2.gz OWESYPQZNNWNBQ-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000685342911 1187109069 /nfs/dbraw/zinc/10/90/69/1187109069.db2.gz OWESYPQZNNWNBQ-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000685342911 1187109074 /nfs/dbraw/zinc/10/90/74/1187109074.db2.gz OWESYPQZNNWNBQ-WMZOPIPTSA-N 2 1 382.549 0.792 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N(C)C)C2)O1 ZINC001211623800 1187109200 /nfs/dbraw/zinc/10/92/00/1187109200.db2.gz UBCMGEHZOPVSPH-QXCFHYIPSA-N 2 1 388.512 0.378 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH2+]CC(=O)N(C)C)C2)O1 ZINC001211623800 1187109202 /nfs/dbraw/zinc/10/92/02/1187109202.db2.gz UBCMGEHZOPVSPH-QXCFHYIPSA-N 2 1 388.512 0.378 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000685519996 1187141388 /nfs/dbraw/zinc/14/13/88/1187141388.db2.gz BCXNXZBOIIFRQJ-DLBZAZTESA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000685519996 1187141391 /nfs/dbraw/zinc/14/13/91/1187141391.db2.gz BCXNXZBOIIFRQJ-DLBZAZTESA-N 2 1 380.533 0.404 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000685519998 1187141760 /nfs/dbraw/zinc/14/17/60/1187141760.db2.gz BCXNXZBOIIFRQJ-IRXDYDNUSA-N 2 1 380.533 0.404 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000685519998 1187141765 /nfs/dbraw/zinc/14/17/65/1187141765.db2.gz BCXNXZBOIIFRQJ-IRXDYDNUSA-N 2 1 380.533 0.404 20 0 GCADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)CC1 ZINC001023972327 1187204055 /nfs/dbraw/zinc/20/40/55/1187204055.db2.gz PVXUOWVVIAFRMB-VDHUWJSZSA-N 2 1 380.533 0.135 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000612046033 1187245005 /nfs/dbraw/zinc/24/50/05/1187245005.db2.gz XWSGDMCAKPYCHY-SQNIBIBYSA-N 2 1 378.517 0.489 20 0 GCADMP Cn1cc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)NC(=O)[C@@H]2CCCC[NH+]2C)cn1 ZINC000635725222 1187318670 /nfs/dbraw/zinc/31/86/70/1187318670.db2.gz KYWDQIDQIMACDV-BZSNNMDCSA-N 2 1 390.532 0.662 20 0 GCADMP Cn1cc([C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC000635725222 1187318674 /nfs/dbraw/zinc/31/86/74/1187318674.db2.gz KYWDQIDQIMACDV-BZSNNMDCSA-N 2 1 390.532 0.662 20 0 GCADMP Cn1cc([C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)NC(=O)[C@@H]2CCCC[N@H+]2C)cn1 ZINC000635725222 1187318678 /nfs/dbraw/zinc/31/86/78/1187318678.db2.gz KYWDQIDQIMACDV-BZSNNMDCSA-N 2 1 390.532 0.662 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@@H+](C)C2 ZINC000658567552 1187348371 /nfs/dbraw/zinc/34/83/71/1187348371.db2.gz ABYRJHRGEDXBAK-UHFFFAOYSA-N 2 1 375.473 0.049 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[N@H+](C)C2 ZINC000658567552 1187348374 /nfs/dbraw/zinc/34/83/74/1187348374.db2.gz ABYRJHRGEDXBAK-UHFFFAOYSA-N 2 1 375.473 0.049 20 0 GCADMP Cc1nc2ccc(NC(=O)C(=O)N(C)[C@@H]3CC[N@@H+](C4CCN(C)CC4)C3)cn2n1 ZINC000685736231 1187387182 /nfs/dbraw/zinc/38/71/82/1187387182.db2.gz ZNJCLVZTABLJMI-QGZVFWFLSA-N 2 1 399.499 0.603 20 0 GCADMP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC1 ZINC000658791815 1187488465 /nfs/dbraw/zinc/48/84/65/1187488465.db2.gz XTQPJRFNOBIMOM-UHFFFAOYSA-N 2 1 382.549 0.480 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)CC1 ZINC000658791815 1187488466 /nfs/dbraw/zinc/48/84/66/1187488466.db2.gz XTQPJRFNOBIMOM-UHFFFAOYSA-N 2 1 382.549 0.480 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000658791815 1187488468 /nfs/dbraw/zinc/48/84/68/1187488468.db2.gz XTQPJRFNOBIMOM-UHFFFAOYSA-N 2 1 382.549 0.480 20 0 GCADMP CC(C)[NH+](C)CC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000658791815 1187488470 /nfs/dbraw/zinc/48/84/70/1187488470.db2.gz XTQPJRFNOBIMOM-UHFFFAOYSA-N 2 1 382.549 0.480 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443948 1187491911 /nfs/dbraw/zinc/49/19/11/1187491911.db2.gz HURMLLMASUNUHF-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443948 1187491915 /nfs/dbraw/zinc/49/19/15/1187491915.db2.gz HURMLLMASUNUHF-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612443948 1187491919 /nfs/dbraw/zinc/49/19/19/1187491919.db2.gz HURMLLMASUNUHF-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612443948 1187491922 /nfs/dbraw/zinc/49/19/22/1187491922.db2.gz HURMLLMASUNUHF-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000612445402 1187492809 /nfs/dbraw/zinc/49/28/09/1187492809.db2.gz ZPOFFUSSLHXBCC-QGZVFWFLSA-N 2 1 392.544 0.833 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000612445402 1187492813 /nfs/dbraw/zinc/49/28/13/1187492813.db2.gz ZPOFFUSSLHXBCC-QGZVFWFLSA-N 2 1 392.544 0.833 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465589 1187499238 /nfs/dbraw/zinc/49/92/38/1187499238.db2.gz OVWMANYTJKZQDH-DHGKCCLASA-N 2 1 378.439 0.830 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465589 1187499242 /nfs/dbraw/zinc/49/92/42/1187499242.db2.gz OVWMANYTJKZQDH-DHGKCCLASA-N 2 1 378.439 0.830 20 0 GCADMP C[C@@H]1[C@H](C(=O)NC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(F)(F)F)CC[NH+]1C ZINC000612465589 1187499246 /nfs/dbraw/zinc/49/92/46/1187499246.db2.gz OVWMANYTJKZQDH-DHGKCCLASA-N 2 1 378.439 0.830 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC2)cc[nH+]1 ZINC000570088447 1187518059 /nfs/dbraw/zinc/51/80/59/1187518059.db2.gz CQLOOHHUFXQJAP-OAHLLOKOSA-N 2 1 384.488 0.626 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)C1 ZINC000612544171 1187518149 /nfs/dbraw/zinc/51/81/49/1187518149.db2.gz WJIFXJWRUONCDF-SFHVURJKSA-N 2 1 393.576 0.606 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000612549450 1187520144 /nfs/dbraw/zinc/52/01/44/1187520144.db2.gz ZDJWPXSDHFVMFI-HNNXBMFYSA-N 2 1 375.473 0.339 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544539 1187522038 /nfs/dbraw/zinc/52/20/38/1187522038.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544539 1187522042 /nfs/dbraw/zinc/52/20/42/1187522042.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544539 1187522047 /nfs/dbraw/zinc/52/20/47/1187522047.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000612544539 1187522050 /nfs/dbraw/zinc/52/20/50/1187522050.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000612544539 1187522052 /nfs/dbraw/zinc/52/20/52/1187522052.db2.gz DSGIMACXZKABND-FUHWJXTLSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000612547120 1187522962 /nfs/dbraw/zinc/52/29/62/1187522962.db2.gz ZVAAHORTGYOYPX-GOSISDBHSA-N 2 1 393.576 0.463 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@H]2C1 ZINC000612560055 1187524270 /nfs/dbraw/zinc/52/42/70/1187524270.db2.gz OQWCFLKWZSNVIW-XMTFNYHQSA-N 2 1 390.528 0.299 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@H]2C1 ZINC000612560055 1187524273 /nfs/dbraw/zinc/52/42/73/1187524273.db2.gz OQWCFLKWZSNVIW-XMTFNYHQSA-N 2 1 390.528 0.299 20 0 GCADMP C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@H]2C1 ZINC000612560054 1187524556 /nfs/dbraw/zinc/52/45/56/1187524556.db2.gz OQWCFLKWZSNVIW-WNRNVDISSA-N 2 1 390.528 0.299 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H]([NH+]4CCOCC4)C34CCC4)[C@H]2C1 ZINC000612560054 1187524558 /nfs/dbraw/zinc/52/45/58/1187524558.db2.gz OQWCFLKWZSNVIW-WNRNVDISSA-N 2 1 390.528 0.299 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595271 1187535769 /nfs/dbraw/zinc/53/57/69/1187535769.db2.gz FXFRUHKCSNXCPU-SQNIBIBYSA-N 2 1 378.517 0.441 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597001 1187536130 /nfs/dbraw/zinc/53/61/30/1187536130.db2.gz ZKTFAFSTBAEORW-MJGOQNOKSA-N 2 1 392.544 0.546 20 0 GCADMP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000612599333 1187538777 /nfs/dbraw/zinc/53/87/77/1187538777.db2.gz TUUAPRKVKVBSAC-IBGZPJMESA-N 2 1 392.544 0.833 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000612600589 1187539336 /nfs/dbraw/zinc/53/93/36/1187539336.db2.gz IKNVYCPDLUXQOO-SOLBZPMBSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000612600586 1187539678 /nfs/dbraw/zinc/53/96/78/1187539678.db2.gz IKNVYCPDLUXQOO-NUJGCVRESA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000612604693 1187540785 /nfs/dbraw/zinc/54/07/85/1187540785.db2.gz UGXICAIJLLNIDP-QGZVFWFLSA-N 2 1 380.533 0.689 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880791 1187611322 /nfs/dbraw/zinc/61/13/22/1187611322.db2.gz JYQBCUQAULKCFT-HOTGVXAUSA-N 2 1 387.532 0.945 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000892535131 1187710796 /nfs/dbraw/zinc/71/07/96/1187710796.db2.gz ATKWGRMVDXHUNR-OALUTQOASA-N 2 1 376.501 0.955 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000892535131 1187710799 /nfs/dbraw/zinc/71/07/99/1187710799.db2.gz ATKWGRMVDXHUNR-OALUTQOASA-N 2 1 376.501 0.955 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCO[C@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000892537053 1187712144 /nfs/dbraw/zinc/71/21/44/1187712144.db2.gz WQRYBQVHIRWVJN-RBUKOAKNSA-N 2 1 375.517 0.480 20 0 GCADMP Cc1ccccc1C[N@H+]1CCO[C@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000892537053 1187712149 /nfs/dbraw/zinc/71/21/49/1187712149.db2.gz WQRYBQVHIRWVJN-RBUKOAKNSA-N 2 1 375.517 0.480 20 0 GCADMP CC[N@H+]1C[C@H](C)[C@H](NC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000589035800 1187726367 /nfs/dbraw/zinc/72/63/67/1187726367.db2.gz NTQGLLXLJJUTJJ-RCCFBDPRSA-N 2 1 379.549 0.070 20 0 GCADMP CC[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+]1C[C@H](C)O ZINC000332866440 1187798083 /nfs/dbraw/zinc/79/80/83/1187798083.db2.gz NFPWTJJBMOQNSN-JCHJZTRSSA-N 2 1 382.549 0.851 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)CC2)C[C@@H](C)O1 ZINC000658987245 1187831484 /nfs/dbraw/zinc/83/14/84/1187831484.db2.gz NJCUIVHCXPCYFE-ZAWLATJESA-N 2 1 392.544 0.497 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892651389 1187882499 /nfs/dbraw/zinc/88/24/99/1187882499.db2.gz YCHHLRCTUDKONL-BZSNNMDCSA-N 2 1 395.548 0.170 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000659110879 1187886695 /nfs/dbraw/zinc/88/66/95/1187886695.db2.gz DKXNCNBQPDFWLY-RHSMWYFYSA-N 2 1 389.500 0.515 20 0 GCADMP CCCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647566781 1187894174 /nfs/dbraw/zinc/89/41/74/1187894174.db2.gz BTMGSQNESRAIEW-QZTJIDSGSA-N 2 1 382.549 0.888 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423498015 1187915510 /nfs/dbraw/zinc/91/55/10/1187915510.db2.gz AWZCDMCSUMUZDW-ROUUACIJSA-N 2 1 381.565 0.460 20 0 GCADMP O=S(=O)(c1ccc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1)N1CCOCC1 ZINC000613552591 1187923333 /nfs/dbraw/zinc/92/33/33/1187923333.db2.gz MLBDAEDBUSOBMH-HZPDHXFCSA-N 2 1 381.498 0.238 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000642959499 1187942131 /nfs/dbraw/zinc/94/21/31/1187942131.db2.gz BRZJMARDAVACPK-XJNFMUPTSA-N 2 1 378.517 0.691 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659345103 1187945227 /nfs/dbraw/zinc/94/52/27/1187945227.db2.gz ZKYNLWOWIZWBFH-IBGZPJMESA-N 2 1 393.576 0.558 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659345103 1187945231 /nfs/dbraw/zinc/94/52/31/1187945231.db2.gz ZKYNLWOWIZWBFH-IBGZPJMESA-N 2 1 393.576 0.558 20 0 GCADMP CC[C@H]1C[N@H+](C)CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647651118 1187956467 /nfs/dbraw/zinc/95/64/67/1187956467.db2.gz AGULHRDREZVVMX-ZWKOTPCHSA-N 2 1 380.533 0.642 20 0 GCADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000647651118 1187956470 /nfs/dbraw/zinc/95/64/70/1187956470.db2.gz AGULHRDREZVVMX-ZWKOTPCHSA-N 2 1 380.533 0.642 20 0 GCADMP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@@H+]1CCc2sccc2C1 ZINC000659438492 1187958269 /nfs/dbraw/zinc/95/82/69/1187958269.db2.gz YVLIXGJDYSASLI-NSHDSACASA-N 2 1 376.486 0.948 20 0 GCADMP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[N@H+]1CCc2sccc2C1 ZINC000659438492 1187958274 /nfs/dbraw/zinc/95/82/74/1187958274.db2.gz YVLIXGJDYSASLI-NSHDSACASA-N 2 1 376.486 0.948 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659452274 1187961219 /nfs/dbraw/zinc/96/12/19/1187961219.db2.gz OKLJIHXZUZXQDE-QGZVFWFLSA-N 2 1 379.549 0.960 20 0 GCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN([C@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659534507 1187968123 /nfs/dbraw/zinc/96/81/23/1187968123.db2.gz AHVXZSGCIIRURT-GHTZIAJQSA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)C1 ZINC000659534507 1187968126 /nfs/dbraw/zinc/96/81/26/1187968126.db2.gz AHVXZSGCIIRURT-GHTZIAJQSA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)C1 ZINC000659534507 1187968128 /nfs/dbraw/zinc/96/81/28/1187968128.db2.gz AHVXZSGCIIRURT-GHTZIAJQSA-N 2 1 391.560 0.169 20 0 GCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000659674371 1187993898 /nfs/dbraw/zinc/99/38/98/1187993898.db2.gz GOYLZEWOCRPBER-ZDUSSCGKSA-N 2 1 392.504 0.274 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676841 1187995063 /nfs/dbraw/zinc/99/50/63/1187995063.db2.gz JQSGNDNLWYHXSG-IEBWSBKVSA-N 2 1 394.560 0.842 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000659686814 1187997509 /nfs/dbraw/zinc/99/75/09/1187997509.db2.gz KGFYZLCLCIDHET-MRXNPFEDSA-N 2 1 398.467 0.038 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)C[NH+]1CCOCC1 ZINC000659691565 1188000271 /nfs/dbraw/zinc/00/02/71/1188000271.db2.gz KEYYZNTZSYBRPP-FUHWJXTLSA-N 2 1 380.533 0.309 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)[C@H](C[NH3+])C1 ZINC000659692134 1188001100 /nfs/dbraw/zinc/00/11/00/1188001100.db2.gz QCRPOVXISPXJAP-APWZRJJASA-N 2 1 388.512 0.721 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000659696834 1188001430 /nfs/dbraw/zinc/00/14/30/1188001430.db2.gz ROWSYSQBLBUVFN-UHFFFAOYSA-N 2 1 388.516 0.098 20 0 GCADMP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781545 1188047863 /nfs/dbraw/zinc/04/78/63/1188047863.db2.gz CGZVHNYKNLUNQT-MSOLQXFVSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781545 1188047866 /nfs/dbraw/zinc/04/78/66/1188047866.db2.gz CGZVHNYKNLUNQT-MSOLQXFVSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781545 1188047871 /nfs/dbraw/zinc/04/78/71/1188047871.db2.gz CGZVHNYKNLUNQT-MSOLQXFVSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415340553 1188049045 /nfs/dbraw/zinc/04/90/45/1188049045.db2.gz FFTOKPKFBHYADA-INIZCTEOSA-N 2 1 399.495 0.732 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000415473426 1188088437 /nfs/dbraw/zinc/08/84/37/1188088437.db2.gz FDKRNUAWNUUJGT-MOPGFXCFSA-N 2 1 386.496 0.853 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000415602330 1188121058 /nfs/dbraw/zinc/12/10/58/1188121058.db2.gz RFTXRFGLEOLRIV-INMHGKMJSA-N 2 1 390.484 0.420 20 0 GCADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1nc(C(N)=O)cc(N2C[C@@H](C)[N@H+](C)C[C@@H]2C)n1 ZINC000893077650 1188137918 /nfs/dbraw/zinc/13/79/18/1188137918.db2.gz BNDXWAVQYVAKMK-CBBWQLFWSA-N 2 1 375.521 0.633 20 0 GCADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1nc(C(N)=O)cc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)n1 ZINC000893077650 1188137920 /nfs/dbraw/zinc/13/79/20/1188137920.db2.gz BNDXWAVQYVAKMK-CBBWQLFWSA-N 2 1 375.521 0.633 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415740306 1188155099 /nfs/dbraw/zinc/15/50/99/1188155099.db2.gz GVGCWOYFQBYZKM-ZWKOTPCHSA-N 2 1 386.496 0.568 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000415767044 1188160282 /nfs/dbraw/zinc/16/02/82/1188160282.db2.gz MMMMQDXPJSLAPN-HKUYNNGSSA-N 2 1 386.496 0.710 20 0 GCADMP C[C@@H](O)C[NH+]1CCN(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000416031650 1189416613 /nfs/dbraw/zinc/41/66/13/1189416613.db2.gz UBFZAHIYURSIKI-QGZVFWFLSA-N 2 1 391.516 0.501 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000472946215 1189448791 /nfs/dbraw/zinc/44/87/91/1189448791.db2.gz BVNGIFOTHBGCRT-QGZVFWFLSA-N 2 1 383.537 0.293 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000893179701 1189449610 /nfs/dbraw/zinc/44/96/10/1189449610.db2.gz ZQCRAERJGAMMRL-GOSISDBHSA-N 2 1 389.544 0.953 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000893179702 1189449739 /nfs/dbraw/zinc/44/97/39/1189449739.db2.gz ZQCRAERJGAMMRL-SFHVURJKSA-N 2 1 389.544 0.953 20 0 GCADMP C[C@@H]1C[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378313775 1189471445 /nfs/dbraw/zinc/47/14/45/1189471445.db2.gz GULIXYUHUWRJPY-VQIMIIECSA-N 2 1 396.557 0.671 20 0 GCADMP C[C@@H]1C[N@@H+](CCOc2ccc(S(N)(=O)=O)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378313775 1189471452 /nfs/dbraw/zinc/47/14/52/1189471452.db2.gz GULIXYUHUWRJPY-VQIMIIECSA-N 2 1 396.557 0.671 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[NH+]4CCN3CCC4)cc2)C1 ZINC000378320659 1189475089 /nfs/dbraw/zinc/47/50/89/1189475089.db2.gz VOEDIVLGSHRSPN-HKUYNNGSSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cc2)C1 ZINC000378320659 1189475095 /nfs/dbraw/zinc/47/50/95/1189475095.db2.gz VOEDIVLGSHRSPN-HKUYNNGSSA-N 2 1 385.512 0.712 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3C[N@H+]4CCN3CCC4)cc2)C1 ZINC000378320659 1189475101 /nfs/dbraw/zinc/47/51/01/1189475101.db2.gz VOEDIVLGSHRSPN-HKUYNNGSSA-N 2 1 385.512 0.712 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526453 1189527715 /nfs/dbraw/zinc/52/77/15/1189527715.db2.gz NTQJNIGINCEYLT-GBESFXJTSA-N 2 1 379.549 0.519 20 0 GCADMP C[C@H]1CN(C(C)(C)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636513668 1189580563 /nfs/dbraw/zinc/58/05/63/1189580563.db2.gz BJFNGEZZMVISFN-JYJNAYRXSA-N 2 1 383.537 0.513 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C[C@H](C)O1 ZINC000636513668 1189580568 /nfs/dbraw/zinc/58/05/68/1189580568.db2.gz BJFNGEZZMVISFN-JYJNAYRXSA-N 2 1 383.537 0.513 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000416854719 1189589331 /nfs/dbraw/zinc/58/93/31/1189589331.db2.gz VGGGBNCIKRACPQ-DOTOQJQBSA-N 2 1 391.516 0.794 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416923999 1189594584 /nfs/dbraw/zinc/59/45/84/1189594584.db2.gz QNOAMJMVVDNRCG-OWCLPIDISA-N 2 1 383.537 0.371 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H](C)O1 ZINC000416923999 1189594585 /nfs/dbraw/zinc/59/45/85/1189594585.db2.gz QNOAMJMVVDNRCG-OWCLPIDISA-N 2 1 383.537 0.371 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416937112 1189595586 /nfs/dbraw/zinc/59/55/86/1189595586.db2.gz IYLWDTZLZKNMLP-IAGOWNOFSA-N 2 1 383.537 0.372 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])C[C@H](C)O1 ZINC000416935136 1189598794 /nfs/dbraw/zinc/59/87/94/1189598794.db2.gz AKEBZJLGQUUUKW-IXDOHACOSA-N 2 1 383.537 0.515 20 0 GCADMP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@H]21 ZINC000416960748 1189600830 /nfs/dbraw/zinc/60/08/30/1189600830.db2.gz WGXXARTUHAKWKO-RCCFBDPRSA-N 2 1 387.532 0.758 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416961006 1189600898 /nfs/dbraw/zinc/60/08/98/1189600898.db2.gz PCZUCBORMNNSLR-KZNAEPCWSA-N 2 1 387.532 0.676 20 0 GCADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000416962395 1189600990 /nfs/dbraw/zinc/60/09/90/1189600990.db2.gz YMEIVVOAZHJENL-KRWDZBQOSA-N 2 1 375.521 0.820 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@H](CS(N)(=O)=O)C1 ZINC000511592784 1189601154 /nfs/dbraw/zinc/60/11/54/1189601154.db2.gz HPUYZTHUUWRMRC-HOTGVXAUSA-N 2 1 395.529 0.119 20 0 GCADMP CCC(CC)[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+]1CCOCC1 ZINC000416956617 1189601702 /nfs/dbraw/zinc/60/17/02/1189601702.db2.gz NFTHUUABGSZMLR-OALUTQOASA-N 2 1 381.565 0.813 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000416981624 1189605281 /nfs/dbraw/zinc/60/52/81/1189605281.db2.gz CTGQTESTCUZRLZ-HXUWFJFHSA-N 2 1 388.560 0.527 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000364000397 1189608131 /nfs/dbraw/zinc/60/81/31/1189608131.db2.gz FWNGZGZTDKIYJD-ZWKOTPCHSA-N 2 1 381.565 0.813 20 0 GCADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000364000397 1189608135 /nfs/dbraw/zinc/60/81/35/1189608135.db2.gz FWNGZGZTDKIYJD-ZWKOTPCHSA-N 2 1 381.565 0.813 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417028685 1189609612 /nfs/dbraw/zinc/60/96/12/1189609612.db2.gz UWZJYQNSSHSWIO-LJQANCHMSA-N 2 1 375.517 0.563 20 0 GCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000417044343 1189612528 /nfs/dbraw/zinc/61/25/28/1189612528.db2.gz XVQKXSWLYVQBMX-KURKYZTESA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@H](C)O1 ZINC000417113112 1189617737 /nfs/dbraw/zinc/61/77/37/1189617737.db2.gz MCRVEKPNQPKKAJ-QXGSTGNESA-N 2 1 376.501 0.675 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@H](C)O1 ZINC000417113112 1189617740 /nfs/dbraw/zinc/61/77/40/1189617740.db2.gz MCRVEKPNQPKKAJ-QXGSTGNESA-N 2 1 376.501 0.675 20 0 GCADMP C[NH2+]CCCNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417159056 1189626382 /nfs/dbraw/zinc/62/63/82/1189626382.db2.gz GEEWWRKIDPFOFA-UHFFFAOYSA-N 2 1 377.489 0.756 20 0 GCADMP O=C(C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000660170649 1189631592 /nfs/dbraw/zinc/63/15/92/1189631592.db2.gz BYONWQMPUCEUNU-SFHVURJKSA-N 2 1 392.544 0.787 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2ccnn2C)nn1 ZINC000417342538 1189650360 /nfs/dbraw/zinc/65/03/60/1189650360.db2.gz PGKCWEMLMRESON-UHFFFAOYSA-N 2 1 386.504 1.367 20 0 GCADMP O=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000570954230 1189680019 /nfs/dbraw/zinc/68/00/19/1189680019.db2.gz MQNVBBMRDPYWBH-IPMKNSEASA-N 2 1 392.544 0.548 20 0 GCADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000417558430 1189682766 /nfs/dbraw/zinc/68/27/66/1189682766.db2.gz FMBYTEKFDGTQMF-JSGCOSHPSA-N 2 1 376.427 0.963 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000364165364 1189687486 /nfs/dbraw/zinc/68/74/86/1189687486.db2.gz PYSKJTPJTUHALT-IRXDYDNUSA-N 2 1 381.521 0.045 20 0 GCADMP Cc1cccc(N2CCC(NC(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)CC2)[nH+]1 ZINC000417708488 1189699095 /nfs/dbraw/zinc/69/90/95/1189699095.db2.gz YYHNXVMLWJGHQA-MRXNPFEDSA-N 2 1 388.516 0.855 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417737690 1189700791 /nfs/dbraw/zinc/70/07/91/1189700791.db2.gz DAFJNFROORFJMX-GOSISDBHSA-N 2 1 389.548 0.187 20 0 GCADMP C[C@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C[NH+]1CCOCC1 ZINC000417739980 1189702795 /nfs/dbraw/zinc/70/27/95/1189702795.db2.gz ZQTZMOZGGBFCML-KGLIPLIRSA-N 2 1 381.443 0.090 20 0 GCADMP C[NH+]1CCN(Cc2ccc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000636535468 1189712417 /nfs/dbraw/zinc/71/24/17/1189712417.db2.gz DEHRXRNAJDJADM-LJQANCHMSA-N 2 1 375.517 0.300 20 0 GCADMP CCN(CCNC(=O)N1CCC[C@H](N2CCNCC2=O)C1)CCC(F)(F)F ZINC000418075488 1189718782 /nfs/dbraw/zinc/71/87/82/1189718782.db2.gz GYUFJMLSDMAYDS-AWEZNQCLSA-N 2 1 393.454 0.867 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000660342763 1189721850 /nfs/dbraw/zinc/72/18/50/1189721850.db2.gz UGZOFGKWGRITAT-MJGOQNOKSA-N 2 1 392.544 0.785 20 0 GCADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)C1 ZINC000660342472 1189722528 /nfs/dbraw/zinc/72/25/28/1189722528.db2.gz DQANHXSWESAINW-IAGOWNOFSA-N 2 1 380.533 0.687 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)C1 ZINC000660353433 1189732724 /nfs/dbraw/zinc/73/27/24/1189732724.db2.gz DQANHXSWESAINW-IRXDYDNUSA-N 2 1 380.533 0.687 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000418287674 1189748450 /nfs/dbraw/zinc/74/84/50/1189748450.db2.gz KXUVCPNBWCHZRO-FQEVSTJZSA-N 2 1 375.517 0.218 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418295184 1189752003 /nfs/dbraw/zinc/75/20/03/1189752003.db2.gz HOYUYEZNJOSYOH-MOPGFXCFSA-N 2 1 375.517 0.074 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418304131 1189755225 /nfs/dbraw/zinc/75/52/25/1189755225.db2.gz XBMIKSWGLRTHFT-OALUTQOASA-N 2 1 375.517 0.074 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418304133 1189755624 /nfs/dbraw/zinc/75/56/24/1189755624.db2.gz XBMIKSWGLRTHFT-RTBURBONSA-N 2 1 375.517 0.074 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652693622 1189775887 /nfs/dbraw/zinc/77/58/87/1189775887.db2.gz YTUWTNGVGCPFFP-MHORFTMASA-N 2 1 394.560 0.968 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000364389563 1189778622 /nfs/dbraw/zinc/77/86/22/1189778622.db2.gz ARZSKSYMNWOOEK-XWTMOSNGSA-N 2 1 380.533 0.233 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)CC1=O ZINC000364389563 1189778623 /nfs/dbraw/zinc/77/86/23/1189778623.db2.gz ARZSKSYMNWOOEK-XWTMOSNGSA-N 2 1 380.533 0.233 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1=O ZINC000364389563 1189778625 /nfs/dbraw/zinc/77/86/25/1189778625.db2.gz ARZSKSYMNWOOEK-XWTMOSNGSA-N 2 1 380.533 0.233 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)CC1=O ZINC000364389563 1189778626 /nfs/dbraw/zinc/77/86/26/1189778626.db2.gz ARZSKSYMNWOOEK-XWTMOSNGSA-N 2 1 380.533 0.233 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000509727030 1189780036 /nfs/dbraw/zinc/78/00/36/1189780036.db2.gz XZENRZXQJXEALY-UHFFFAOYSA-N 2 1 382.549 0.795 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@@H](C)O1 ZINC000500430800 1189848981 /nfs/dbraw/zinc/84/89/81/1189848981.db2.gz YWORJZCBURZUDC-ZACQAIPSSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567036 1189862831 /nfs/dbraw/zinc/86/28/31/1189862831.db2.gz UIPBCYRWPLVSAN-IEBWSBKVSA-N 2 1 375.517 0.563 20 0 GCADMP C[C@H](CNC(=O)NCC[N@H+]1CC[C@@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567036 1189862843 /nfs/dbraw/zinc/86/28/43/1189862843.db2.gz UIPBCYRWPLVSAN-IEBWSBKVSA-N 2 1 375.517 0.563 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)[C@@H]3C2)O1 ZINC000974723946 1189881534 /nfs/dbraw/zinc/88/15/34/1189881534.db2.gz WARMAFOHYQEAAY-BRSBDYLESA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C(C)(C)[NH+]4CCCC4)[C@@H]3C2)O1 ZINC000974723946 1189881540 /nfs/dbraw/zinc/88/15/40/1189881540.db2.gz WARMAFOHYQEAAY-BRSBDYLESA-N 2 1 392.544 0.639 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535816 1189894478 /nfs/dbraw/zinc/89/44/78/1189894478.db2.gz KKBYNHVDLUCEJB-FUHWJXTLSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000660535816 1189894483 /nfs/dbraw/zinc/89/44/83/1189894483.db2.gz KKBYNHVDLUCEJB-FUHWJXTLSA-N 2 1 378.517 0.252 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711770 1189939387 /nfs/dbraw/zinc/93/93/87/1189939387.db2.gz GSBJRGUYBFWSQZ-MJGOQNOKSA-N 2 1 379.549 0.707 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C2)CC1 ZINC000660711770 1189939388 /nfs/dbraw/zinc/93/93/88/1189939388.db2.gz GSBJRGUYBFWSQZ-MJGOQNOKSA-N 2 1 379.549 0.707 20 0 GCADMP C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660854743 1189956352 /nfs/dbraw/zinc/95/63/52/1189956352.db2.gz BYZKINLNGYWQFS-KRWDZBQOSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864873 1189959279 /nfs/dbraw/zinc/95/92/79/1189959279.db2.gz PWLHMVODDHNXQC-MOPGFXCFSA-N 2 1 381.565 0.813 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)O1 ZINC000975717194 1189966911 /nfs/dbraw/zinc/96/69/11/1189966911.db2.gz HEMJBOKDQQDUOH-VSZNYVQBSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C[NH+]4CCCC4)C[C@@H]32)O1 ZINC000975717194 1189966914 /nfs/dbraw/zinc/96/69/14/1189966914.db2.gz HEMJBOKDQQDUOH-VSZNYVQBSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)O1 ZINC000975784514 1189979503 /nfs/dbraw/zinc/97/95/03/1189979503.db2.gz ZRQYETWCRBGKGV-KCITZHQASA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4CC[NH+](C)CC4)C[C@@H]32)O1 ZINC000975784514 1189979508 /nfs/dbraw/zinc/97/95/08/1189979508.db2.gz ZRQYETWCRBGKGV-KCITZHQASA-N 2 1 392.544 0.497 20 0 GCADMP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000661085308 1189989284 /nfs/dbraw/zinc/98/92/84/1189989284.db2.gz VAPWPRDDLNAFBW-SFHVURJKSA-N 2 1 381.565 0.415 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758001 1190020967 /nfs/dbraw/zinc/02/09/67/1190020967.db2.gz NIIJDKLXFYYQPJ-IAGOWNOFSA-N 2 1 375.521 0.445 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC2)C1 ZINC000662758000 1190021359 /nfs/dbraw/zinc/02/13/59/1190021359.db2.gz NIIJDKLXFYYQPJ-DLBZAZTESA-N 2 1 375.521 0.445 20 0 GCADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000662817246 1190039898 /nfs/dbraw/zinc/03/98/98/1190039898.db2.gz SNSZAEKBFMWKIN-BBWFWOEESA-N 2 1 393.438 0.711 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC000662873071 1190066178 /nfs/dbraw/zinc/06/61/78/1190066178.db2.gz UMISSOVSEWNGEK-GOSISDBHSA-N 2 1 393.553 0.929 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000512659195 1193729024 /nfs/dbraw/zinc/72/90/24/1193729024.db2.gz DSJVVELXPGAAPO-UHFFFAOYSA-N 2 1 381.565 0.550 20 0 GCADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCCC[C@@H]1C ZINC000512665132 1193729690 /nfs/dbraw/zinc/72/96/90/1193729690.db2.gz DQSSIXKYNKTWTE-RBUKOAKNSA-N 2 1 383.581 0.939 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCc2sccc2C1 ZINC000419228205 1193734649 /nfs/dbraw/zinc/73/46/49/1193734649.db2.gz GONVCEMFOFVQBM-HIFRSBDPSA-N 2 1 380.514 0.106 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2sccc2C1 ZINC000419228205 1193734653 /nfs/dbraw/zinc/73/46/53/1193734653.db2.gz GONVCEMFOFVQBM-HIFRSBDPSA-N 2 1 380.514 0.106 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000419228770 1193738070 /nfs/dbraw/zinc/73/80/70/1193738070.db2.gz MRTWVWGMDNQBEX-FUHWJXTLSA-N 2 1 376.501 0.365 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000433061695 1193738377 /nfs/dbraw/zinc/73/83/77/1193738377.db2.gz QGUSDOMFKFCUHR-UHFFFAOYSA-N 2 1 398.529 0.245 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000433061695 1193738381 /nfs/dbraw/zinc/73/83/81/1193738381.db2.gz QGUSDOMFKFCUHR-UHFFFAOYSA-N 2 1 398.529 0.245 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419233224 1193742931 /nfs/dbraw/zinc/74/29/31/1193742931.db2.gz VWUVFSRCJQYQIJ-NEWSRXKRSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@@H+]1CCc2sccc2C1 ZINC000419235507 1193745727 /nfs/dbraw/zinc/74/57/27/1193745727.db2.gz MYUKSKVYFINUIA-YCPHGPKFSA-N 2 1 376.526 0.679 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[N@H+]1CCc2sccc2C1 ZINC000419235507 1193745730 /nfs/dbraw/zinc/74/57/30/1193745730.db2.gz MYUKSKVYFINUIA-YCPHGPKFSA-N 2 1 376.526 0.679 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000419237256 1193750209 /nfs/dbraw/zinc/75/02/09/1193750209.db2.gz OPHQFFNDBKIUTC-NUEKZKHPSA-N 2 1 394.541 0.576 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)[C@@H](C[NH3+])C1 ZINC000419237256 1193750211 /nfs/dbraw/zinc/75/02/11/1193750211.db2.gz OPHQFFNDBKIUTC-NUEKZKHPSA-N 2 1 394.541 0.576 20 0 GCADMP CC(C)OC[C@@H](CO)N(C)CC(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000433153089 1193767286 /nfs/dbraw/zinc/76/72/86/1193767286.db2.gz OFQGHRVLCUOVHR-GOSISDBHSA-N 2 1 385.549 0.855 20 0 GCADMP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NCCCN1CCCCCC1=O ZINC000051960063 1193773485 /nfs/dbraw/zinc/77/34/85/1193773485.db2.gz ZATISOQTEXFDKI-UHFFFAOYSA-N 2 1 394.560 0.940 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419269406 1193777420 /nfs/dbraw/zinc/77/74/20/1193777420.db2.gz OKSRLUPLFHRXFT-RBUKOAKNSA-N 2 1 388.512 0.769 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000419272635 1193778569 /nfs/dbraw/zinc/77/85/69/1193778569.db2.gz VKBIGDHNVXZRFO-MOPGFXCFSA-N 2 1 386.496 0.488 20 0 GCADMP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000419275654 1193779783 /nfs/dbraw/zinc/77/97/83/1193779783.db2.gz ZBWTXWNEJSNGHY-NRFANRHFSA-N 2 1 386.496 0.347 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@H]3CCCC[C@@H]3NS(C)(=O)=O)cn2)CC1 ZINC000512861375 1193789178 /nfs/dbraw/zinc/78/91/78/1193789178.db2.gz OEYDMPIJIJGWKL-SJORKVTESA-N 2 1 396.561 0.426 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C[NH+]1CCOCC1 ZINC000419306610 1193799639 /nfs/dbraw/zinc/79/96/39/1193799639.db2.gz YHWHVIJZWKDKLF-SQNIBIBYSA-N 2 1 380.533 0.452 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000576182576 1193801139 /nfs/dbraw/zinc/80/11/39/1193801139.db2.gz OESZPGISVGVVJH-QGZVFWFLSA-N 2 1 381.565 0.509 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000576182576 1193801142 /nfs/dbraw/zinc/80/11/42/1193801142.db2.gz OESZPGISVGVVJH-QGZVFWFLSA-N 2 1 381.565 0.509 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000576182576 1193801148 /nfs/dbraw/zinc/80/11/48/1193801148.db2.gz OESZPGISVGVVJH-QGZVFWFLSA-N 2 1 381.565 0.509 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCO1 ZINC000433341795 1193811364 /nfs/dbraw/zinc/81/13/64/1193811364.db2.gz UHHMIWQDBNAVEG-MRXNPFEDSA-N 2 1 383.537 0.339 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)CCCO1 ZINC000433341795 1193811370 /nfs/dbraw/zinc/81/13/70/1193811370.db2.gz UHHMIWQDBNAVEG-MRXNPFEDSA-N 2 1 383.537 0.339 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)C1 ZINC000333120745 1193813190 /nfs/dbraw/zinc/81/31/90/1193813190.db2.gz IDRNMTDWCVXEOM-DOTOQJQBSA-N 2 1 386.562 0.510 20 0 GCADMP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000333138445 1193817971 /nfs/dbraw/zinc/81/79/71/1193817971.db2.gz BZBCTXOVISKYOX-OTWHNJEPSA-N 2 1 381.565 0.953 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000419331252 1193824283 /nfs/dbraw/zinc/82/42/83/1193824283.db2.gz GTEZJXCULIJLHR-QUCCMNQESA-N 2 1 399.539 0.261 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419337834 1193832979 /nfs/dbraw/zinc/83/29/79/1193832979.db2.gz LHGFFAONZHMYKM-INIZCTEOSA-N 2 1 375.517 0.294 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCCCC[NH3+])cc2)CC1 ZINC000419342095 1193835208 /nfs/dbraw/zinc/83/52/08/1193835208.db2.gz OZBVJEIDBNCEAE-UHFFFAOYSA-N 2 1 375.517 0.295 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000419343056 1193836552 /nfs/dbraw/zinc/83/65/52/1193836552.db2.gz QMJUTIFCRPIFCM-BGYRXZFFSA-N 2 1 399.539 0.118 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000419346121 1193842181 /nfs/dbraw/zinc/84/21/81/1193842181.db2.gz UYHLZOSGPWVVAS-IBGZPJMESA-N 2 1 389.544 0.540 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419350828 1193845905 /nfs/dbraw/zinc/84/59/05/1193845905.db2.gz ZTRSCBCDCCASQB-IBGZPJMESA-N 2 1 387.528 0.309 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419350239 1193847258 /nfs/dbraw/zinc/84/72/58/1193847258.db2.gz WHLDVVDXRMFABO-INIZCTEOSA-N 2 1 395.548 0.119 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399061 1193871537 /nfs/dbraw/zinc/87/15/37/1193871537.db2.gz FIKXOBLNGBAOJY-HOCLYGCPSA-N 2 1 379.505 0.335 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399061 1193871543 /nfs/dbraw/zinc/87/15/43/1193871543.db2.gz FIKXOBLNGBAOJY-HOCLYGCPSA-N 2 1 379.505 0.335 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399063 1193871720 /nfs/dbraw/zinc/87/17/20/1193871720.db2.gz FIKXOBLNGBAOJY-ZBFHGGJFSA-N 2 1 379.505 0.335 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCC1 ZINC000576399063 1193871723 /nfs/dbraw/zinc/87/17/23/1193871723.db2.gz FIKXOBLNGBAOJY-ZBFHGGJFSA-N 2 1 379.505 0.335 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419385693 1193893875 /nfs/dbraw/zinc/89/38/75/1193893875.db2.gz ATRKUJSUMIRYKO-BPQIPLTHSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419385693 1193893879 /nfs/dbraw/zinc/89/38/79/1193893879.db2.gz ATRKUJSUMIRYKO-BPQIPLTHSA-N 2 1 390.553 0.916 20 0 GCADMP CC(C)(CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419386574 1193896686 /nfs/dbraw/zinc/89/66/86/1193896686.db2.gz DVFVQTAXRXUUSD-GOSISDBHSA-N 2 1 388.512 0.516 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387049 1193898260 /nfs/dbraw/zinc/89/82/60/1193898260.db2.gz BXCZMOJEUAEWBZ-DLBZAZTESA-N 2 1 378.542 0.820 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387049 1193898265 /nfs/dbraw/zinc/89/82/65/1193898265.db2.gz BXCZMOJEUAEWBZ-DLBZAZTESA-N 2 1 378.542 0.820 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419387055 1193898440 /nfs/dbraw/zinc/89/84/40/1193898440.db2.gz BXCZMOJEUAEWBZ-SJORKVTESA-N 2 1 378.542 0.820 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419387055 1193898448 /nfs/dbraw/zinc/89/84/48/1193898448.db2.gz BXCZMOJEUAEWBZ-SJORKVTESA-N 2 1 378.542 0.820 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419391477 1193904827 /nfs/dbraw/zinc/90/48/27/1193904827.db2.gz HLKGNAOYGNZMCJ-NVXWUHKLSA-N 2 1 378.542 0.692 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419391477 1193904828 /nfs/dbraw/zinc/90/48/28/1193904828.db2.gz HLKGNAOYGNZMCJ-NVXWUHKLSA-N 2 1 378.542 0.692 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419391479 1193904841 /nfs/dbraw/zinc/90/48/41/1193904841.db2.gz HLKGNAOYGNZMCJ-WBVHZDCISA-N 2 1 378.542 0.692 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419391479 1193904844 /nfs/dbraw/zinc/90/48/44/1193904844.db2.gz HLKGNAOYGNZMCJ-WBVHZDCISA-N 2 1 378.542 0.692 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)CC1=O ZINC000261669995 1193922796 /nfs/dbraw/zinc/92/27/96/1193922796.db2.gz GIABROIVONWCCN-BBWFWOEESA-N 2 1 388.516 0.226 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@H]2c2nccn2C)CC1=O ZINC000261669995 1193922797 /nfs/dbraw/zinc/92/27/97/1193922797.db2.gz GIABROIVONWCCN-BBWFWOEESA-N 2 1 388.516 0.226 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883634 1193929917 /nfs/dbraw/zinc/92/99/17/1193929917.db2.gz UVKCOKUEXGKARY-RTBURBONSA-N 2 1 388.512 0.754 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNC(=O)[C@H]([NH3+])C3CCOCC3)c2)C1 ZINC000261883630 1193929988 /nfs/dbraw/zinc/92/99/88/1193929988.db2.gz UVKCOKUEXGKARY-RBUKOAKNSA-N 2 1 388.512 0.754 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1=O ZINC000261928735 1193932032 /nfs/dbraw/zinc/93/20/32/1193932032.db2.gz JLGATHYQOSZCDM-QRVBRYPASA-N 2 1 385.512 0.887 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)CC1=O ZINC000261928735 1193932034 /nfs/dbraw/zinc/93/20/34/1193932034.db2.gz JLGATHYQOSZCDM-QRVBRYPASA-N 2 1 385.512 0.887 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+](C)C1 ZINC001670798395 1193935424 /nfs/dbraw/zinc/93/54/24/1193935424.db2.gz ABVMVDCNVHPUIX-CQSZACIVSA-N 2 1 378.477 0.718 20 0 GCADMP O=C(CCN1CCOCC1)Nc1cc(NC(=O)C[C@@H]2COCCN2)ccc1F ZINC000262316415 1193944891 /nfs/dbraw/zinc/94/48/91/1193944891.db2.gz DKXOVIWMDFFOBN-OAHLLOKOSA-N 2 1 394.447 0.804 20 0 GCADMP CS(=O)(=O)C1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000262440179 1193948304 /nfs/dbraw/zinc/94/83/04/1193948304.db2.gz UUTNOLWKMBMPGB-SFHVURJKSA-N 2 1 393.553 0.834 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000263073850 1193961640 /nfs/dbraw/zinc/96/16/40/1193961640.db2.gz CBYPUNQLZIFHLJ-IBGZPJMESA-N 2 1 375.517 0.367 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@H]2CCN(C3CCOCC3)C2=O)C1)[C@@H]1CCC[NH2+]1 ZINC000261797160 1193963322 /nfs/dbraw/zinc/96/33/22/1193963322.db2.gz IOOJMLYIERQZDN-SZMVWBNQSA-N 2 1 378.517 0.347 20 0 GCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000671816793 1194000051 /nfs/dbraw/zinc/00/00/51/1194000051.db2.gz SUJOUGGCJGKMDR-MJGOQNOKSA-N 2 1 386.496 0.222 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419400636 1194019642 /nfs/dbraw/zinc/01/96/42/1194019642.db2.gz MWRVQDXVOWUDAK-SZMVWBNQSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419400636 1194019647 /nfs/dbraw/zinc/01/96/47/1194019647.db2.gz MWRVQDXVOWUDAK-SZMVWBNQSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402091 1194019889 /nfs/dbraw/zinc/01/98/89/1194019889.db2.gz QEIUFXUAVHQNRA-BPQIPLTHSA-N 2 1 390.553 0.977 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402091 1194019891 /nfs/dbraw/zinc/01/98/91/1194019891.db2.gz QEIUFXUAVHQNRA-BPQIPLTHSA-N 2 1 390.553 0.977 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419401778 1194020228 /nfs/dbraw/zinc/02/02/28/1194020228.db2.gz PMTDCFOUYNZCCX-IAGOWNOFSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419401778 1194020231 /nfs/dbraw/zinc/02/02/31/1194020231.db2.gz PMTDCFOUYNZCCX-IAGOWNOFSA-N 2 1 376.526 0.588 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000419405510 1194020753 /nfs/dbraw/zinc/02/07/53/1194020753.db2.gz HRFUEWMWUKYQDB-FHLIZLRMSA-N 2 1 376.476 0.927 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000419402458 1194020888 /nfs/dbraw/zinc/02/08/88/1194020888.db2.gz QJGJCXTYIZRJAQ-KRWDZBQOSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000419402458 1194020891 /nfs/dbraw/zinc/02/08/91/1194020891.db2.gz QJGJCXTYIZRJAQ-KRWDZBQOSA-N 2 1 376.526 0.588 20 0 GCADMP O=C(NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419407749 1194021872 /nfs/dbraw/zinc/02/18/72/1194021872.db2.gz YZFBRMRDWZIALG-SQNIBIBYSA-N 2 1 388.537 0.541 20 0 GCADMP O=C(NC[C@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419407749 1194021877 /nfs/dbraw/zinc/02/18/77/1194021877.db2.gz YZFBRMRDWZIALG-SQNIBIBYSA-N 2 1 388.537 0.541 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419561 1194022884 /nfs/dbraw/zinc/02/28/84/1194022884.db2.gz SAJZWNHLIIDANB-QRQLOZEOSA-N 2 1 390.528 0.896 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419561 1194022887 /nfs/dbraw/zinc/02/28/87/1194022887.db2.gz SAJZWNHLIIDANB-QRQLOZEOSA-N 2 1 390.528 0.896 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423598 1194024036 /nfs/dbraw/zinc/02/40/36/1194024036.db2.gz YRFGZYFTBFQXCQ-FHWLQOOXSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423598 1194024039 /nfs/dbraw/zinc/02/40/39/1194024039.db2.gz YRFGZYFTBFQXCQ-FHWLQOOXSA-N 2 1 388.512 0.732 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420923 1194024625 /nfs/dbraw/zinc/02/46/25/1194024625.db2.gz NYRBVUNNVJNKIJ-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420923 1194024630 /nfs/dbraw/zinc/02/46/30/1194024630.db2.gz NYRBVUNNVJNKIJ-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000419420923 1194024633 /nfs/dbraw/zinc/02/46/33/1194024633.db2.gz NYRBVUNNVJNKIJ-RBUKOAKNSA-N 2 1 387.528 0.350 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424766 1194025153 /nfs/dbraw/zinc/02/51/53/1194025153.db2.gz URIJZWRCRNDJAS-MOPGFXCFSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424766 1194025157 /nfs/dbraw/zinc/02/51/57/1194025157.db2.gz URIJZWRCRNDJAS-MOPGFXCFSA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419424766 1194025161 /nfs/dbraw/zinc/02/51/61/1194025161.db2.gz URIJZWRCRNDJAS-MOPGFXCFSA-N 2 1 387.528 0.431 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419427510 1194025984 /nfs/dbraw/zinc/02/59/84/1194025984.db2.gz ZBSIBXOAFLWOPK-AEFFLSMTSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419427510 1194025988 /nfs/dbraw/zinc/02/59/88/1194025988.db2.gz ZBSIBXOAFLWOPK-AEFFLSMTSA-N 2 1 375.517 0.287 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419427510 1194025994 /nfs/dbraw/zinc/02/59/94/1194025994.db2.gz ZBSIBXOAFLWOPK-AEFFLSMTSA-N 2 1 375.517 0.287 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427548 1194026437 /nfs/dbraw/zinc/02/64/37/1194026437.db2.gz ZFDBBASXXXRLMP-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427548 1194026443 /nfs/dbraw/zinc/02/64/43/1194026443.db2.gz ZFDBBASXXXRLMP-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427548 1194026447 /nfs/dbraw/zinc/02/64/47/1194026447.db2.gz ZFDBBASXXXRLMP-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410806 1194028544 /nfs/dbraw/zinc/02/85/44/1194028544.db2.gz GUQFEGYZZUWFMD-OALUTQOASA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410806 1194028548 /nfs/dbraw/zinc/02/85/48/1194028548.db2.gz GUQFEGYZZUWFMD-OALUTQOASA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410808 1194028792 /nfs/dbraw/zinc/02/87/92/1194028792.db2.gz GUQFEGYZZUWFMD-RTBURBONSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC([NH3+])CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410808 1194028796 /nfs/dbraw/zinc/02/87/96/1194028796.db2.gz GUQFEGYZZUWFMD-RTBURBONSA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413045 1194030345 /nfs/dbraw/zinc/03/03/45/1194030345.db2.gz KCLCXDIRUQXLGY-YTQUADARSA-N 2 1 390.528 0.754 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413045 1194030351 /nfs/dbraw/zinc/03/03/51/1194030351.db2.gz KCLCXDIRUQXLGY-YTQUADARSA-N 2 1 390.528 0.754 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419413378 1194030696 /nfs/dbraw/zinc/03/06/96/1194030696.db2.gz FLIGFYDSBCWKFL-IBGZPJMESA-N 2 1 389.544 0.549 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419413378 1194030701 /nfs/dbraw/zinc/03/07/01/1194030701.db2.gz FLIGFYDSBCWKFL-IBGZPJMESA-N 2 1 389.544 0.549 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419413378 1194030706 /nfs/dbraw/zinc/03/07/06/1194030706.db2.gz FLIGFYDSBCWKFL-IBGZPJMESA-N 2 1 389.544 0.549 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415399 1194031616 /nfs/dbraw/zinc/03/16/16/1194031616.db2.gz NAKKRPACRQFCIP-QZTJIDSGSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415399 1194031621 /nfs/dbraw/zinc/03/16/21/1194031621.db2.gz NAKKRPACRQFCIP-QZTJIDSGSA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416642 1194032119 /nfs/dbraw/zinc/03/21/19/1194032119.db2.gz OVJCCUKSUYOCKU-IAGOWNOFSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416642 1194032125 /nfs/dbraw/zinc/03/21/25/1194032125.db2.gz OVJCCUKSUYOCKU-IAGOWNOFSA-N 2 1 376.501 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416160 1194032714 /nfs/dbraw/zinc/03/27/14/1194032714.db2.gz OEFMSQGDNDYQKB-RYQLBKOJSA-N 2 1 376.501 0.588 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416160 1194032719 /nfs/dbraw/zinc/03/27/19/1194032719.db2.gz OEFMSQGDNDYQKB-RYQLBKOJSA-N 2 1 376.501 0.588 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419450735 1194036892 /nfs/dbraw/zinc/03/68/92/1194036892.db2.gz MBKAQXULDUELJV-MSOLQXFVSA-N 2 1 389.544 0.803 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419451945 1194037590 /nfs/dbraw/zinc/03/75/90/1194037590.db2.gz OKIZGDGJMDIDAL-KURKYZTESA-N 2 1 387.528 0.570 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419451541 1194037782 /nfs/dbraw/zinc/03/77/82/1194037782.db2.gz NJJPAWFGPPHHRF-SJORKVTESA-N 2 1 375.517 0.428 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419454718 1194038067 /nfs/dbraw/zinc/03/80/67/1194038067.db2.gz UWDHWRAOKZQSTE-KRWDZBQOSA-N 2 1 375.517 0.429 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)C1CC1 ZINC000419501242 1194046128 /nfs/dbraw/zinc/04/61/28/1194046128.db2.gz AZCQAICUWXVDLA-RTBURBONSA-N 2 1 388.512 0.857 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419504966 1194047098 /nfs/dbraw/zinc/04/70/98/1194047098.db2.gz LBHBUBHHNIFXKD-KZNAEPCWSA-N 2 1 387.528 0.570 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419506797 1194047760 /nfs/dbraw/zinc/04/77/60/1194047760.db2.gz NVXGPJPHHZMDGM-AVRDEDQJSA-N 2 1 399.539 0.525 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419509902 1194048137 /nfs/dbraw/zinc/04/81/37/1194048137.db2.gz SPDVXRNIDYZMIZ-ZHALLVOQSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[NH+]1CCN(c2ccccc2)CC1 ZINC000419510931 1194049097 /nfs/dbraw/zinc/04/90/97/1194049097.db2.gz UQZATDBOWJWIKV-MJGOQNOKSA-N 2 1 387.528 0.653 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000419531755 1194050543 /nfs/dbraw/zinc/05/05/43/1194050543.db2.gz GGNGZODNCCBULN-SFHVURJKSA-N 2 1 376.501 0.762 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512606 1194051246 /nfs/dbraw/zinc/05/12/46/1194051246.db2.gz XJPKOCDAQVYXNC-SQNIBIBYSA-N 2 1 387.528 0.509 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419522754 1194054001 /nfs/dbraw/zinc/05/40/01/1194054001.db2.gz NJRKIIDYZCBVQX-IRXDYDNUSA-N 2 1 395.548 0.069 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000419536748 1194054849 /nfs/dbraw/zinc/05/48/49/1194054849.db2.gz MLYLYOZQYHEHTA-ROUUACIJSA-N 2 1 376.501 0.633 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000419536404 1194054860 /nfs/dbraw/zinc/05/48/60/1194054860.db2.gz MFCZXYKGWWDNPB-ROUUACIJSA-N 2 1 376.501 0.762 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000419549845 1194057280 /nfs/dbraw/zinc/05/72/80/1194057280.db2.gz VWJOVUORZOIQPY-NZSAHSFTSA-N 2 1 390.528 0.926 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419693540 1194086232 /nfs/dbraw/zinc/08/62/32/1194086232.db2.gz NLUIETLWOJIKIB-GOSISDBHSA-N 2 1 389.544 0.506 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419699272 1194087367 /nfs/dbraw/zinc/08/73/67/1194087367.db2.gz VZZKVGGHJDXEEX-QXAKKESOSA-N 2 1 392.544 0.864 20 0 GCADMP COc1cc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000419727286 1194088760 /nfs/dbraw/zinc/08/87/60/1194088760.db2.gz KXDRXJGGMPRTHT-GASCZTMLSA-N 2 1 390.484 0.594 20 0 GCADMP COc1cc(NC(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1OCC[NH+](C)C ZINC000419728036 1194088795 /nfs/dbraw/zinc/08/87/95/1194088795.db2.gz JXJXWIXJSRZRNX-GOEBONIOSA-N 2 1 390.484 0.737 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000419731810 1194089981 /nfs/dbraw/zinc/08/99/81/1194089981.db2.gz RMJZLHXZOYICKV-RTBURBONSA-N 2 1 384.480 0.793 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419713661 1194091118 /nfs/dbraw/zinc/09/11/18/1194091118.db2.gz WMNQEHJFPUYINC-JCHJZTRSSA-N 2 1 388.512 0.730 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419713665 1194091249 /nfs/dbraw/zinc/09/12/49/1194091249.db2.gz WMNQEHJFPUYINC-OQIJWPOYSA-N 2 1 388.512 0.730 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)CCO1 ZINC000419718769 1194092489 /nfs/dbraw/zinc/09/24/89/1194092489.db2.gz FBEDVVPDIJZANW-HNNXBMFYSA-N 2 1 396.438 0.232 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419805792 1194107494 /nfs/dbraw/zinc/10/74/94/1194107494.db2.gz DVPMIAKUVLPOFW-ZRGWGRIASA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)C[C@H](C)O1 ZINC000419805792 1194107497 /nfs/dbraw/zinc/10/74/97/1194107497.db2.gz DVPMIAKUVLPOFW-ZRGWGRIASA-N 2 1 388.512 0.766 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419819032 1194109088 /nfs/dbraw/zinc/10/90/88/1194109088.db2.gz LQOXUHZJNYWNAI-HOTGVXAUSA-N 2 1 376.501 0.638 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419815208 1194113305 /nfs/dbraw/zinc/11/33/05/1194113305.db2.gz JKJDTIUKQIEKGJ-GPMSIDNRSA-N 2 1 388.512 0.780 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419827921 1194115458 /nfs/dbraw/zinc/11/54/58/1194115458.db2.gz RTASNQZKNMREKU-HRCADAONSA-N 2 1 376.501 0.623 20 0 GCADMP C[C@@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000419827921 1194115463 /nfs/dbraw/zinc/11/54/63/1194115463.db2.gz RTASNQZKNMREKU-HRCADAONSA-N 2 1 376.501 0.623 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000419833121 1194116473 /nfs/dbraw/zinc/11/64/73/1194116473.db2.gz SJTSCQDTFOKUMP-WMZOPIPTSA-N 2 1 381.565 0.400 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+]1CCc2sccc2C1 ZINC000419859072 1194123524 /nfs/dbraw/zinc/12/35/24/1194123524.db2.gz YCJLOFPQOMCERW-OAHLLOKOSA-N 2 1 393.557 0.022 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@H+]1CCc2sccc2C1 ZINC000419859072 1194123528 /nfs/dbraw/zinc/12/35/28/1194123528.db2.gz YCJLOFPQOMCERW-OAHLLOKOSA-N 2 1 393.557 0.022 20 0 GCADMP CCN(C(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419861560 1194124727 /nfs/dbraw/zinc/12/47/27/1194124727.db2.gz FPOLWGCJBQHTPD-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000419863029 1194125006 /nfs/dbraw/zinc/12/50/06/1194125006.db2.gz DMPBCCINRAGMIO-UHFFFAOYSA-N 2 1 382.549 0.970 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000419871253 1194127810 /nfs/dbraw/zinc/12/78/10/1194127810.db2.gz PKNDPKSEXMTNHF-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419871253 1194127814 /nfs/dbraw/zinc/12/78/14/1194127814.db2.gz PKNDPKSEXMTNHF-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419871680 1194127906 /nfs/dbraw/zinc/12/79/06/1194127906.db2.gz XRWQLNYKIMCDLR-GOSISDBHSA-N 2 1 388.512 0.845 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419871680 1194127911 /nfs/dbraw/zinc/12/79/11/1194127911.db2.gz XRWQLNYKIMCDLR-GOSISDBHSA-N 2 1 388.512 0.845 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419873220 1194128381 /nfs/dbraw/zinc/12/83/81/1194128381.db2.gz VCIHELHUJFJTJC-GUDVDZBRSA-N 2 1 393.576 0.636 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000419887865 1194133573 /nfs/dbraw/zinc/13/35/73/1194133573.db2.gz JMNVIXITNAFADL-IBGZPJMESA-N 2 1 387.528 0.131 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000419889940 1194134050 /nfs/dbraw/zinc/13/40/50/1194134050.db2.gz LLPQWIYNHUYXQY-SFHVURJKSA-N 2 1 389.500 0.001 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000419903025 1194137608 /nfs/dbraw/zinc/13/76/08/1194137608.db2.gz URCRJIBRPFQDAS-MOPGFXCFSA-N 2 1 388.512 0.811 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419908624 1194141487 /nfs/dbraw/zinc/14/14/87/1194141487.db2.gz IXIWEDTUADXROO-OALUTQOASA-N 2 1 395.592 0.898 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419984674 1194147457 /nfs/dbraw/zinc/14/74/57/1194147457.db2.gz YBGSUBNKMQKNRX-GOSISDBHSA-N 2 1 389.544 0.757 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419964230 1194148635 /nfs/dbraw/zinc/14/86/35/1194148635.db2.gz WZODVKCWBZBCON-BPQIPLTHSA-N 2 1 381.565 0.493 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419991685 1194154053 /nfs/dbraw/zinc/15/40/53/1194154053.db2.gz HBLYWEWROGUFBG-NUJGCVRESA-N 2 1 398.548 0.203 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419991681 1194154128 /nfs/dbraw/zinc/15/41/28/1194154128.db2.gz HBLYWEWROGUFBG-JFIYKMOQSA-N 2 1 398.548 0.203 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894246948 1194155922 /nfs/dbraw/zinc/15/59/22/1194155922.db2.gz BAWORIQHFRNXER-CABCVRRESA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000894246948 1194155925 /nfs/dbraw/zinc/15/59/25/1194155925.db2.gz BAWORIQHFRNXER-CABCVRRESA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000894246948 1194155929 /nfs/dbraw/zinc/15/59/29/1194155929.db2.gz BAWORIQHFRNXER-CABCVRRESA-N 2 1 375.521 0.636 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000420011858 1194161659 /nfs/dbraw/zinc/16/16/59/1194161659.db2.gz IOUQZEVHNKNBFS-ZWKOTPCHSA-N 2 1 375.517 0.994 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)NC[C@@H]3[NH2+]C(C)(C)O[C@H]3C)CC2)c1 ZINC000420012534 1194162218 /nfs/dbraw/zinc/16/22/18/1194162218.db2.gz BAORRPIPYUKPES-GJZGRUSLSA-N 2 1 375.473 0.268 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420019557 1194163389 /nfs/dbraw/zinc/16/33/89/1194163389.db2.gz RFJGANLNJUXOHW-CEXWTWQISA-N 2 1 395.592 0.882 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)C[C@H](C)O1 ZINC000420043651 1194168280 /nfs/dbraw/zinc/16/82/80/1194168280.db2.gz OUDXQCBJFMGKIG-CIRFHOKZSA-N 2 1 380.533 0.578 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000420081236 1194173712 /nfs/dbraw/zinc/17/37/12/1194173712.db2.gz MQJFHOLUVNWRAE-UHFFFAOYSA-N 2 1 389.544 0.901 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420064864 1194176358 /nfs/dbraw/zinc/17/63/58/1194176358.db2.gz PAHGKZKIZHLCKP-HCXYKTFWSA-N 2 1 393.576 0.637 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420097685 1194177314 /nfs/dbraw/zinc/17/73/14/1194177314.db2.gz IGWORNXUAQLBQW-OAHLLOKOSA-N 2 1 386.496 0.618 20 0 GCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000420103409 1194178466 /nfs/dbraw/zinc/17/84/66/1194178466.db2.gz QZRLWSMIZJIHBI-JCKWVBRZSA-N 2 1 394.466 0.937 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000420102936 1194178665 /nfs/dbraw/zinc/17/86/65/1194178665.db2.gz OMVHNKFECWMELX-UHFFFAOYSA-N 2 1 388.512 0.723 20 0 GCADMP C[C@@]1(CNC(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCC[NH2+]C1 ZINC000420096524 1194183419 /nfs/dbraw/zinc/18/34/19/1194183419.db2.gz IRXIKFLRLJGTDX-LJQANCHMSA-N 2 1 378.542 0.941 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1CC ZINC000420161202 1194191337 /nfs/dbraw/zinc/19/13/37/1194191337.db2.gz JKBDWPKOXGXPNZ-SJORKVTESA-N 2 1 382.549 0.840 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1CC ZINC000420161202 1194191338 /nfs/dbraw/zinc/19/13/38/1194191338.db2.gz JKBDWPKOXGXPNZ-SJORKVTESA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000420162976 1194191750 /nfs/dbraw/zinc/19/17/50/1194191750.db2.gz JRHRQZFLLAYUSA-CALCHBBNSA-N 2 1 392.544 0.760 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501589400 1194197864 /nfs/dbraw/zinc/19/78/64/1194197864.db2.gz PAGHOKQTXNDBQU-PKOBYXMFSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420202347 1194203427 /nfs/dbraw/zinc/20/34/27/1194203427.db2.gz PCHJKBHZZGFVHG-AEFFLSMTSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000420202348 1194203799 /nfs/dbraw/zinc/20/37/99/1194203799.db2.gz PCHJKBHZZGFVHG-FUHWJXTLSA-N 2 1 380.533 0.594 20 0 GCADMP CN(C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420188517 1194205911 /nfs/dbraw/zinc/20/59/11/1194205911.db2.gz NALLDAOBBNWZTR-OALUTQOASA-N 2 1 388.512 0.604 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000501597274 1194207812 /nfs/dbraw/zinc/20/78/12/1194207812.db2.gz KBKAYMGZHUWVIB-WMZOPIPTSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1C ZINC000501597274 1194207815 /nfs/dbraw/zinc/20/78/15/1194207815.db2.gz KBKAYMGZHUWVIB-WMZOPIPTSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000501597263 1194207901 /nfs/dbraw/zinc/20/79/01/1194207901.db2.gz KBKAYMGZHUWVIB-AEFFLSMTSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1C ZINC000501597263 1194207903 /nfs/dbraw/zinc/20/79/03/1194207903.db2.gz KBKAYMGZHUWVIB-AEFFLSMTSA-N 2 1 380.533 0.402 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420224257 1194210711 /nfs/dbraw/zinc/21/07/11/1194210711.db2.gz WULJQVQNGVLUBL-SFHVURJKSA-N 2 1 388.512 0.604 20 0 GCADMP CC1(C)CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420224257 1194210714 /nfs/dbraw/zinc/21/07/14/1194210714.db2.gz WULJQVQNGVLUBL-SFHVURJKSA-N 2 1 388.512 0.604 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000420209840 1194212045 /nfs/dbraw/zinc/21/20/45/1194212045.db2.gz VTKBDXHSGAXWIZ-IBGZPJMESA-N 2 1 396.491 0.589 20 0 GCADMP CN(CC[NH+](C)C)C(=O)C(=O)NCC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000420214334 1194214005 /nfs/dbraw/zinc/21/40/05/1194214005.db2.gz ZPTHKSMYJZNFHQ-UHFFFAOYSA-N 2 1 375.517 0.116 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501621237 1194215131 /nfs/dbraw/zinc/21/51/31/1194215131.db2.gz GEDAMAZVEJYKQP-FUHWJXTLSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501621237 1194215137 /nfs/dbraw/zinc/21/51/37/1194215137.db2.gz GEDAMAZVEJYKQP-FUHWJXTLSA-N 2 1 380.533 0.402 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501641918 1194217824 /nfs/dbraw/zinc/21/78/24/1194217824.db2.gz SDNPRMAMCURTDX-IIDMSEBBSA-N 2 1 378.517 0.202 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501648608 1194219243 /nfs/dbraw/zinc/21/92/43/1194219243.db2.gz YKDORIXNMGDQGA-SQNIBIBYSA-N 2 1 394.560 0.840 20 0 GCADMP Cn1cc([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@]2(O)CC[NH+](C)C2)cn1 ZINC000501650562 1194219924 /nfs/dbraw/zinc/21/99/24/1194219924.db2.gz PFTRDVXYEQHLRH-RZUBCFFCSA-N 2 1 397.523 0.819 20 0 GCADMP Cn1cc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@]2(O)CC[N@H+](C)C2)cn1 ZINC000501650562 1194219928 /nfs/dbraw/zinc/21/99/28/1194219928.db2.gz PFTRDVXYEQHLRH-RZUBCFFCSA-N 2 1 397.523 0.819 20 0 GCADMP Cn1cc([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C(=O)NC[C@]2(O)CC[N@@H+](C)C2)cn1 ZINC000501650562 1194219930 /nfs/dbraw/zinc/21/99/30/1194219930.db2.gz PFTRDVXYEQHLRH-RZUBCFFCSA-N 2 1 397.523 0.819 20 0 GCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346430 1194222444 /nfs/dbraw/zinc/22/24/44/1194222444.db2.gz CTPYEFPVNWVNQF-HOTGVXAUSA-N 2 1 376.501 0.861 20 0 GCADMP COc1ccc(OC)c([C@H](C)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346430 1194222447 /nfs/dbraw/zinc/22/24/47/1194222447.db2.gz CTPYEFPVNWVNQF-HOTGVXAUSA-N 2 1 376.501 0.861 20 0 GCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420345925 1194222510 /nfs/dbraw/zinc/22/25/10/1194222510.db2.gz BWRNZXVDPYPKPA-INIZCTEOSA-N 2 1 393.557 0.192 20 0 GCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420345925 1194222515 /nfs/dbraw/zinc/22/25/15/1194222515.db2.gz BWRNZXVDPYPKPA-INIZCTEOSA-N 2 1 393.557 0.192 20 0 GCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420345928 1194222522 /nfs/dbraw/zinc/22/25/22/1194222522.db2.gz BWRNZXVDPYPKPA-MRXNPFEDSA-N 2 1 393.557 0.192 20 0 GCADMP CCN(CC(=O)NCc1cccs1)C(=O)C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420345928 1194222527 /nfs/dbraw/zinc/22/25/27/1194222527.db2.gz BWRNZXVDPYPKPA-MRXNPFEDSA-N 2 1 393.557 0.192 20 0 GCADMP CCOc1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347245 1194222757 /nfs/dbraw/zinc/22/27/57/1194222757.db2.gz FYULBXMLLCHWPS-KRWDZBQOSA-N 2 1 376.501 0.560 20 0 GCADMP CCOc1ccc(OCCNC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347245 1194222760 /nfs/dbraw/zinc/22/27/60/1194222760.db2.gz FYULBXMLLCHWPS-KRWDZBQOSA-N 2 1 376.501 0.560 20 0 GCADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000501776761 1194229056 /nfs/dbraw/zinc/22/90/56/1194229056.db2.gz RZFDRQILUXIELB-UHFFFAOYSA-N 2 1 382.549 0.748 20 0 GCADMP C[C@@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420408559 1194229094 /nfs/dbraw/zinc/22/90/94/1194229094.db2.gz PMRTTYNVNLWUAA-ZBFHGGJFSA-N 2 1 382.530 0.300 20 0 GCADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000420756553 1194261251 /nfs/dbraw/zinc/26/12/51/1194261251.db2.gz FFAPVTCADZCQHC-QGZVFWFLSA-N 2 1 375.521 0.724 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000420756553 1194261256 /nfs/dbraw/zinc/26/12/56/1194261256.db2.gz FFAPVTCADZCQHC-QGZVFWFLSA-N 2 1 375.521 0.724 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2C[C@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000647907923 1194282471 /nfs/dbraw/zinc/28/24/71/1194282471.db2.gz RGMKIJZTDIECLS-KBAYOESNSA-N 2 1 394.541 0.442 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421222907 1194311304 /nfs/dbraw/zinc/31/13/04/1194311304.db2.gz ZISRZFCMUKNAAD-QZTJIDSGSA-N 2 1 382.549 0.792 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421222907 1194311308 /nfs/dbraw/zinc/31/13/08/1194311308.db2.gz ZISRZFCMUKNAAD-QZTJIDSGSA-N 2 1 382.549 0.792 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000421406439 1194336987 /nfs/dbraw/zinc/33/69/87/1194336987.db2.gz UCLWWXCCEQBCOX-KRWDZBQOSA-N 2 1 376.501 0.796 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607416288 1194357159 /nfs/dbraw/zinc/35/71/59/1194357159.db2.gz MGCDFEXFAOLECP-UYAOXDASSA-N 2 1 376.501 0.643 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000607416288 1194357163 /nfs/dbraw/zinc/35/71/63/1194357163.db2.gz MGCDFEXFAOLECP-UYAOXDASSA-N 2 1 376.501 0.643 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000607416288 1194357166 /nfs/dbraw/zinc/35/71/66/1194357166.db2.gz MGCDFEXFAOLECP-UYAOXDASSA-N 2 1 376.501 0.643 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000422111722 1194392622 /nfs/dbraw/zinc/39/26/22/1194392622.db2.gz DKNAXDIXBZBHBW-SCTDSRPQSA-N 2 1 394.560 0.887 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000422111722 1194392626 /nfs/dbraw/zinc/39/26/26/1194392626.db2.gz DKNAXDIXBZBHBW-SCTDSRPQSA-N 2 1 394.560 0.887 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000422111722 1194392629 /nfs/dbraw/zinc/39/26/29/1194392629.db2.gz DKNAXDIXBZBHBW-SCTDSRPQSA-N 2 1 394.560 0.887 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000422132189 1194400907 /nfs/dbraw/zinc/40/09/07/1194400907.db2.gz HNQKMGWDWDDSOJ-GOSISDBHSA-N 2 1 380.533 0.500 20 0 GCADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958038 1194411565 /nfs/dbraw/zinc/41/15/65/1194411565.db2.gz XLXSLAFMBUWJER-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000549958038 1194411568 /nfs/dbraw/zinc/41/15/68/1194411568.db2.gz XLXSLAFMBUWJER-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP C[NH+]1CCN(Cc2cccc(NC(=O)C(=O)N3CC[C@H]4CC[N@@H+](C)C[C@H]43)c2)CC1 ZINC000272391253 1194456306 /nfs/dbraw/zinc/45/63/06/1194456306.db2.gz XYSDCIXBZLDIGN-UYAOXDASSA-N 2 1 399.539 0.925 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000272706983 1194489604 /nfs/dbraw/zinc/48/96/04/1194489604.db2.gz ULAQJTLRJPRMAZ-UHFFFAOYSA-N 2 1 377.489 0.304 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000272719226 1194491143 /nfs/dbraw/zinc/49/11/43/1194491143.db2.gz BOPJQHSJTAQYEN-RTBURBONSA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272719226 1194491145 /nfs/dbraw/zinc/49/11/45/1194491145.db2.gz BOPJQHSJTAQYEN-RTBURBONSA-N 2 1 375.517 0.298 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272719226 1194491151 /nfs/dbraw/zinc/49/11/51/1194491151.db2.gz BOPJQHSJTAQYEN-RTBURBONSA-N 2 1 375.517 0.298 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000422325503 1194614900 /nfs/dbraw/zinc/61/49/00/1194614900.db2.gz KEIAGIWOAMLBKO-SQNIBIBYSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC000422325503 1194614902 /nfs/dbraw/zinc/61/49/02/1194614902.db2.gz KEIAGIWOAMLBKO-SQNIBIBYSA-N 2 1 382.549 0.792 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC000422325503 1194614905 /nfs/dbraw/zinc/61/49/05/1194614905.db2.gz KEIAGIWOAMLBKO-SQNIBIBYSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC000652729462 1194631250 /nfs/dbraw/zinc/63/12/50/1194631250.db2.gz HDGDTFFOQVJMCK-MHORFTMASA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC000652729462 1194631251 /nfs/dbraw/zinc/63/12/51/1194631251.db2.gz HDGDTFFOQVJMCK-MHORFTMASA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC000652729463 1194631331 /nfs/dbraw/zinc/63/13/31/1194631331.db2.gz HDGDTFFOQVJMCK-XLAORIBOSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@H+]1C ZINC000652729463 1194631334 /nfs/dbraw/zinc/63/13/34/1194631334.db2.gz HDGDTFFOQVJMCK-XLAORIBOSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000422395133 1194635212 /nfs/dbraw/zinc/63/52/12/1194635212.db2.gz IMJCEHHRFYZKGQ-GBESFXJTSA-N 2 1 394.560 0.812 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000422396579 1194635850 /nfs/dbraw/zinc/63/58/50/1194635850.db2.gz LGFSJQUGJAQFIM-QGZVFWFLSA-N 2 1 391.516 0.579 20 0 GCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000422459661 1194649936 /nfs/dbraw/zinc/64/99/36/1194649936.db2.gz ZUZMNBQQVJWKKO-UHFFFAOYSA-N 2 1 380.533 0.548 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000422491342 1194651221 /nfs/dbraw/zinc/65/12/21/1194651221.db2.gz NPTNXNBPJRLESU-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H](C)O1 ZINC000414684237 1194691150 /nfs/dbraw/zinc/69/11/50/1194691150.db2.gz VAVCNMICLHFWNA-GJZGRUSLSA-N 2 1 392.500 0.967 20 0 GCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000503638475 1194702689 /nfs/dbraw/zinc/70/26/89/1194702689.db2.gz YXUFHQUKXDARBD-IRXDYDNUSA-N 2 1 377.485 0.867 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000423019216 1194717777 /nfs/dbraw/zinc/71/77/77/1194717777.db2.gz USHQZWAOQZCKJK-SFHVURJKSA-N 2 1 389.500 0.082 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423031405 1194719640 /nfs/dbraw/zinc/71/96/40/1194719640.db2.gz DDLXFVHGITUACC-HXUWFJFHSA-N 2 1 399.539 0.227 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2ccccc2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000423037879 1194720725 /nfs/dbraw/zinc/72/07/25/1194720725.db2.gz NJFXEBSCFMUHRP-UHFFFAOYSA-N 2 1 384.524 0.975 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183287 1194733484 /nfs/dbraw/zinc/73/34/84/1194733484.db2.gz GCQMOKVOJKBWNS-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183287 1194733488 /nfs/dbraw/zinc/73/34/88/1194733488.db2.gz GCQMOKVOJKBWNS-SCTDSRPQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[C@H]1[NH3+] ZINC000423183326 1194733537 /nfs/dbraw/zinc/73/35/37/1194733537.db2.gz GIICNKOCCFPDDR-ZIAGYGMSSA-N 2 1 394.438 0.295 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423166634 1194734454 /nfs/dbraw/zinc/73/44/54/1194734454.db2.gz RJOKXHMBGOWLKD-SLFFLAALSA-N 2 1 399.539 0.962 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000423185915 1194738006 /nfs/dbraw/zinc/73/80/06/1194738006.db2.gz KGCBXYUPVQTJQS-BDXSIMOUSA-N 2 1 382.549 0.918 20 0 GCADMP C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423193641 1194738275 /nfs/dbraw/zinc/73/82/75/1194738275.db2.gz XPVWHUUXDABUQL-CQSZACIVSA-N 2 1 394.438 0.310 20 0 GCADMP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423220911 1194741199 /nfs/dbraw/zinc/74/11/99/1194741199.db2.gz YVFCCPGRHDKZTM-FGTMMUONSA-N 2 1 393.576 0.589 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC[N@@H+]1C ZINC000423374166 1194750788 /nfs/dbraw/zinc/75/07/88/1194750788.db2.gz HXEDTEMGVLVTOR-FGTMMUONSA-N 2 1 380.533 0.530 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)CC[N@H+]1C ZINC000423374166 1194750790 /nfs/dbraw/zinc/75/07/90/1194750790.db2.gz HXEDTEMGVLVTOR-FGTMMUONSA-N 2 1 380.533 0.530 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423388076 1194752897 /nfs/dbraw/zinc/75/28/97/1194752897.db2.gz MPAKFZXQPYFVOC-RCCFBDPRSA-N 2 1 392.544 0.546 20 0 GCADMP O=C(NCC[N@H+]1CCCOCC1)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000458849711 1194752989 /nfs/dbraw/zinc/75/29/89/1194752989.db2.gz SNORWRQFERSXRM-FQEVSTJZSA-N 2 1 376.501 0.645 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000458849711 1194752990 /nfs/dbraw/zinc/75/29/90/1194752990.db2.gz SNORWRQFERSXRM-FQEVSTJZSA-N 2 1 376.501 0.645 20 0 GCADMP O=C(NCC[NH+]1CCCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000458849711 1194752991 /nfs/dbraw/zinc/75/29/91/1194752991.db2.gz SNORWRQFERSXRM-FQEVSTJZSA-N 2 1 376.501 0.645 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423396776 1194753422 /nfs/dbraw/zinc/75/34/22/1194753422.db2.gz SNPXCMCIRPCGNK-AZUAARDMSA-N 2 1 399.539 0.477 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423402208 1194754396 /nfs/dbraw/zinc/75/43/96/1194754396.db2.gz WOSVYWMUWICZFP-MOPGFXCFSA-N 2 1 399.539 0.335 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423452095 1194756416 /nfs/dbraw/zinc/75/64/16/1194756416.db2.gz VXMNOWHIDDLTQC-RTBURBONSA-N 2 1 394.560 0.651 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1 ZINC000423431134 1194756834 /nfs/dbraw/zinc/75/68/34/1194756834.db2.gz ALUSWWWBSPASLN-JCGIZDLHSA-N 2 1 376.476 0.879 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1 ZINC000423431723 1194756881 /nfs/dbraw/zinc/75/68/81/1194756881.db2.gz ATPSYILMKITOEM-QILLFSRXSA-N 2 1 376.476 0.879 20 0 GCADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423466982 1194758554 /nfs/dbraw/zinc/75/85/54/1194758554.db2.gz ABKXFHBFNBJYHQ-OALUTQOASA-N 2 1 388.512 0.543 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CCN(C)CC2)C1 ZINC000423505876 1194759903 /nfs/dbraw/zinc/75/99/03/1194759903.db2.gz HMXYFGKFOPMZSW-QRQLOZEOSA-N 2 1 393.576 0.602 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)C1 ZINC000423505875 1194760010 /nfs/dbraw/zinc/76/00/10/1194760010.db2.gz HMXYFGKFOPMZSW-NZSAHSFTSA-N 2 1 393.576 0.602 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC[N@@H+]1CCOC ZINC000423517802 1194762234 /nfs/dbraw/zinc/76/22/34/1194762234.db2.gz BYSIHXOPKJHYDD-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC(CC[NH2+]C)CC2)CC[N@H+]1CCOC ZINC000423517802 1194762236 /nfs/dbraw/zinc/76/22/36/1194762236.db2.gz BYSIHXOPKJHYDD-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423572966 1194768610 /nfs/dbraw/zinc/76/86/10/1194768610.db2.gz QLCDAKLQSWEHSX-RXVVDRJESA-N 2 1 388.512 0.292 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423586004 1194771080 /nfs/dbraw/zinc/77/10/80/1194771080.db2.gz APLQWYLSCZJLOE-SFHVURJKSA-N 2 1 382.549 0.923 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423607805 1194772693 /nfs/dbraw/zinc/77/26/93/1194772693.db2.gz LFUCMXZCENBYAL-AWEZNQCLSA-N 2 1 394.438 0.310 20 0 GCADMP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423610603 1194773219 /nfs/dbraw/zinc/77/32/19/1194773219.db2.gz REBMGMYUNGONOP-QUCCMNQESA-N 2 1 399.539 0.225 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H]1Cc1ccccc1 ZINC000423634825 1194776218 /nfs/dbraw/zinc/77/62/18/1194776218.db2.gz NTODWPKQDDVHPC-IBGZPJMESA-N 2 1 384.524 0.974 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H]1Cc1ccccc1 ZINC000423634825 1194776220 /nfs/dbraw/zinc/77/62/20/1194776220.db2.gz NTODWPKQDDVHPC-IBGZPJMESA-N 2 1 384.524 0.974 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423623107 1194778294 /nfs/dbraw/zinc/77/82/94/1194778294.db2.gz NRPBKWOHSWTMAP-FGTMMUONSA-N 2 1 379.549 0.343 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000423623108 1194778349 /nfs/dbraw/zinc/77/83/49/1194778349.db2.gz NRPBKWOHSWTMAP-KSZLIROESA-N 2 1 379.549 0.343 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000423657104 1194779858 /nfs/dbraw/zinc/77/98/58/1194779858.db2.gz VJLVKUPRIYLOBF-IRXDYDNUSA-N 2 1 382.549 0.792 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)[C@H](C[NH3+])C1 ZINC000423684925 1194785732 /nfs/dbraw/zinc/78/57/32/1194785732.db2.gz XZJQAWJUHGIGND-HOTGVXAUSA-N 2 1 375.473 0.003 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])C1 ZINC000423690770 1194786204 /nfs/dbraw/zinc/78/62/04/1194786204.db2.gz YYKJBXJHCYWVHJ-IRXDYDNUSA-N 2 1 395.548 0.023 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1)Cc1ccccc1 ZINC000423707664 1194787037 /nfs/dbraw/zinc/78/70/37/1194787037.db2.gz DVWVZILBSRYGFV-UXHICEINSA-N 2 1 399.539 0.083 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000423741931 1194790865 /nfs/dbraw/zinc/79/08/65/1194790865.db2.gz YROCYOJFJAQHAE-ZRNYENFQSA-N 2 1 382.508 0.787 20 0 GCADMP [NH3+]CC[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C(F)(F)F ZINC000423750674 1194791737 /nfs/dbraw/zinc/79/17/37/1194791737.db2.gz VCVLFGCGDGLSRW-OLZOCXBDSA-N 2 1 380.411 0.096 20 0 GCADMP CC(C)[NH+]1CCN(C2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])CC2)CC1 ZINC000423748574 1194791929 /nfs/dbraw/zinc/79/19/29/1194791929.db2.gz ZOEFLVYFTPIKTD-HKUYNNGSSA-N 2 1 393.576 0.589 20 0 GCADMP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000423740205 1194792892 /nfs/dbraw/zinc/79/28/92/1194792892.db2.gz IQBYUSYHHDTEMG-QFBILLFUSA-N 2 1 381.565 0.303 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000504398243 1194793117 /nfs/dbraw/zinc/79/31/17/1194793117.db2.gz DFZXYNWIVJWZHJ-UHFFFAOYSA-N 2 1 376.505 0.365 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)cc(OC)c1 ZINC000664382712 1194807887 /nfs/dbraw/zinc/80/78/87/1194807887.db2.gz ZTGGMLNRIMOAGS-MNEFBYGVSA-N 2 1 392.500 0.594 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)C2)cc(OC)c1 ZINC000664382712 1194807888 /nfs/dbraw/zinc/80/78/88/1194807888.db2.gz ZTGGMLNRIMOAGS-MNEFBYGVSA-N 2 1 392.500 0.594 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000424454847 1194815184 /nfs/dbraw/zinc/81/51/84/1194815184.db2.gz MIXVBVBDFNQJFP-KRWDZBQOSA-N 2 1 387.484 0.157 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424491747 1194816571 /nfs/dbraw/zinc/81/65/71/1194816571.db2.gz FNAZBGMKGPOCQI-IRXDYDNUSA-N 2 1 380.533 0.546 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424491747 1194816574 /nfs/dbraw/zinc/81/65/74/1194816574.db2.gz FNAZBGMKGPOCQI-IRXDYDNUSA-N 2 1 380.533 0.546 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000424491476 1194816584 /nfs/dbraw/zinc/81/65/84/1194816584.db2.gz DMBZQDYAALQFKU-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)CC1 ZINC000424491477 1194816720 /nfs/dbraw/zinc/81/67/20/1194816720.db2.gz DMBZQDYAALQFKU-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424492344 1194817068 /nfs/dbraw/zinc/81/70/68/1194817068.db2.gz HVYSGLYVYYTWDH-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424492344 1194817071 /nfs/dbraw/zinc/81/70/71/1194817071.db2.gz HVYSGLYVYYTWDH-ZWKOTPCHSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)CC[NH2+]CC2 ZINC000424498151 1194818293 /nfs/dbraw/zinc/81/82/93/1194818293.db2.gz YZGKUHBOPXFIHW-KRWDZBQOSA-N 2 1 394.560 0.794 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C1 ZINC000424504650 1194818716 /nfs/dbraw/zinc/81/87/16/1194818716.db2.gz JWJSEUMTOKIOLK-DLBZAZTESA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C1 ZINC000424537922 1194820159 /nfs/dbraw/zinc/82/01/59/1194820159.db2.gz BTIASNMHBSVAFG-RYQLBKOJSA-N 2 1 390.532 0.157 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424518241 1194821336 /nfs/dbraw/zinc/82/13/36/1194821336.db2.gz HOKWXSWDBYTMJA-ZWKOTPCHSA-N 2 1 393.576 0.367 20 0 GCADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)C[C@H]1C ZINC000424550654 1194823819 /nfs/dbraw/zinc/82/38/19/1194823819.db2.gz TVKLIORFJSDXAW-MXASKKJJSA-N 2 1 376.505 0.004 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000424558488 1194824862 /nfs/dbraw/zinc/82/48/62/1194824862.db2.gz WRHYYCOWCMOWRH-ZWKOTPCHSA-N 2 1 393.576 0.365 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652730319 1194840993 /nfs/dbraw/zinc/84/09/93/1194840993.db2.gz SWQUVWHJTXNQMS-CADBVGFASA-N 2 1 394.560 0.922 20 0 GCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434353546 1194841301 /nfs/dbraw/zinc/84/13/01/1194841301.db2.gz WMZYSUMQLACNOR-LJQANCHMSA-N 2 1 381.565 0.693 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434353546 1194841305 /nfs/dbraw/zinc/84/13/05/1194841305.db2.gz WMZYSUMQLACNOR-LJQANCHMSA-N 2 1 381.565 0.693 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434353546 1194841308 /nfs/dbraw/zinc/84/13/08/1194841308.db2.gz WMZYSUMQLACNOR-LJQANCHMSA-N 2 1 381.565 0.693 20 0 GCADMP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1[NH+]1CCOCC1 ZINC000664448842 1194871113 /nfs/dbraw/zinc/87/11/13/1194871113.db2.gz UBZUWYXGAKYGDY-DLBZAZTESA-N 2 1 383.537 0.291 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000514810988 1194914628 /nfs/dbraw/zinc/91/46/28/1194914628.db2.gz WDVNVUGNMADGSM-UHFFFAOYSA-N 2 1 376.501 0.415 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000514813617 1194915989 /nfs/dbraw/zinc/91/59/89/1194915989.db2.gz GJLGUENONRKCGI-OALUTQOASA-N 2 1 394.560 0.651 20 0 GCADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000514813617 1194915990 /nfs/dbraw/zinc/91/59/90/1194915990.db2.gz GJLGUENONRKCGI-OALUTQOASA-N 2 1 394.560 0.651 20 0 GCADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000514938342 1194931064 /nfs/dbraw/zinc/93/10/64/1194931064.db2.gz HIFWRLRQABYXAC-MSOLQXFVSA-N 2 1 379.549 0.071 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000425383692 1194934451 /nfs/dbraw/zinc/93/44/51/1194934451.db2.gz IUOIIXVPGGGZCP-KRWDZBQOSA-N 2 1 382.549 0.888 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000425383692 1194934453 /nfs/dbraw/zinc/93/44/53/1194934453.db2.gz IUOIIXVPGGGZCP-KRWDZBQOSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CCC[C@H]2C[NH+](C)C[C@H]21 ZINC000425392473 1194941723 /nfs/dbraw/zinc/94/17/23/1194941723.db2.gz TUTQWSOXTUVWQJ-SOLBZPMBSA-N 2 1 378.517 0.251 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)C1 ZINC000425398512 1194951471 /nfs/dbraw/zinc/95/14/71/1194951471.db2.gz IEOXDAULYDRMLP-OKZBNKHCSA-N 2 1 380.533 0.498 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000515249349 1194960867 /nfs/dbraw/zinc/96/08/67/1194960867.db2.gz JBVPFLJKQXUFJS-UHFFFAOYSA-N 2 1 382.549 0.792 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000515391412 1194970934 /nfs/dbraw/zinc/97/09/34/1194970934.db2.gz PCIUYSXREPCUDW-HDICACEKSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000515391412 1194970937 /nfs/dbraw/zinc/97/09/37/1194970937.db2.gz PCIUYSXREPCUDW-HDICACEKSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000515391412 1194970938 /nfs/dbraw/zinc/97/09/38/1194970938.db2.gz PCIUYSXREPCUDW-HDICACEKSA-N 2 1 393.576 0.604 20 0 GCADMP COCC[N@@H+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[NH+](Cc3ccccc3)C2)C1=O ZINC000515500442 1194978670 /nfs/dbraw/zinc/97/86/70/1194978670.db2.gz VUFNUINTTDIXQD-YLJYHZDGSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000515500442 1194978673 /nfs/dbraw/zinc/97/86/73/1194978673.db2.gz VUFNUINTTDIXQD-YLJYHZDGSA-N 2 1 390.484 0.122 20 0 GCADMP COCC[NH+](C)C[C@@H](O)CN1C(=O)N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1=O ZINC000515500442 1194978674 /nfs/dbraw/zinc/97/86/74/1194978674.db2.gz VUFNUINTTDIXQD-YLJYHZDGSA-N 2 1 390.484 0.122 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCOc1ccc(F)cc1 ZINC000436059940 1194982887 /nfs/dbraw/zinc/98/28/87/1194982887.db2.gz CUOGWARBDRIJLF-INIZCTEOSA-N 2 1 380.464 0.640 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCOc1ccc(F)cc1 ZINC000436059940 1194982888 /nfs/dbraw/zinc/98/28/88/1194982888.db2.gz CUOGWARBDRIJLF-INIZCTEOSA-N 2 1 380.464 0.640 20 0 GCADMP COCc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060203 1194983005 /nfs/dbraw/zinc/98/30/05/1194983005.db2.gz DHHCMJQCXWVWMP-SFHVURJKSA-N 2 1 376.501 0.769 20 0 GCADMP COCc1ccccc1CNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060203 1194983006 /nfs/dbraw/zinc/98/30/06/1194983006.db2.gz DHHCMJQCXWVWMP-SFHVURJKSA-N 2 1 376.501 0.769 20 0 GCADMP COCc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436053694 1194983784 /nfs/dbraw/zinc/98/37/84/1194983784.db2.gz GDNVVMSNZJGDPV-GOSISDBHSA-N 2 1 376.501 0.769 20 0 GCADMP COCc1cccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436053694 1194983788 /nfs/dbraw/zinc/98/37/88/1194983788.db2.gz GDNVVMSNZJGDPV-GOSISDBHSA-N 2 1 376.501 0.769 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000425461862 1194984711 /nfs/dbraw/zinc/98/47/11/1194984711.db2.gz CTRUZDSWKYUYSP-QGZVFWFLSA-N 2 1 397.564 0.681 20 0 GCADMP C[C@@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000436125507 1194986436 /nfs/dbraw/zinc/98/64/36/1194986436.db2.gz BEDVMRAVAUXLJW-SJORKVTESA-N 2 1 397.564 0.416 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1)Cc1ccccc1 ZINC000515809145 1194998061 /nfs/dbraw/zinc/99/80/61/1194998061.db2.gz ISKSRZAPNDPPMC-OALUTQOASA-N 2 1 387.528 0.765 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549980642 1195002509 /nfs/dbraw/zinc/00/25/09/1195002509.db2.gz VOIACKUDBIMLJI-HOTGVXAUSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000516194674 1195030752 /nfs/dbraw/zinc/03/07/52/1195030752.db2.gz RASQQLXLOTWHKI-WTLGNFPFSA-N 2 1 386.496 0.680 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000516194674 1195030755 /nfs/dbraw/zinc/03/07/55/1195030755.db2.gz RASQQLXLOTWHKI-WTLGNFPFSA-N 2 1 386.496 0.680 20 0 GCADMP CNS(=O)(=O)c1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516207793 1195033202 /nfs/dbraw/zinc/03/32/02/1195033202.db2.gz LWLCIJMWEKIZPL-UHFFFAOYSA-N 2 1 389.481 0.994 20 0 GCADMP CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000516207894 1195033363 /nfs/dbraw/zinc/03/33/63/1195033363.db2.gz AFSKHVULIPJREH-HNNXBMFYSA-N 2 1 395.529 0.834 20 0 GCADMP O=C(NCC[NH+]1CCN(c2ccc(F)cc2)CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000516430689 1195050329 /nfs/dbraw/zinc/05/03/29/1195050329.db2.gz ICYRGRPRRGNCBU-SFHVURJKSA-N 2 1 379.480 0.625 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000288263640 1195055082 /nfs/dbraw/zinc/05/50/82/1195055082.db2.gz JXOMVOJGOMAMQR-QGZVFWFLSA-N 2 1 394.516 0.878 20 0 GCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652734535 1195082487 /nfs/dbraw/zinc/08/24/87/1195082487.db2.gz NURSHLSMELFCQH-XLAORIBOSA-N 2 1 380.533 0.674 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CC1 ZINC000638368031 1195091714 /nfs/dbraw/zinc/09/17/14/1195091714.db2.gz SKXKLOYLFUUCFQ-LBPRGKRZSA-N 2 1 386.447 0.933 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000437438396 1195111071 /nfs/dbraw/zinc/11/10/71/1195111071.db2.gz IKNYNIGBDACPRJ-UHFFFAOYSA-N 2 1 376.457 0.838 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)Nc1cccc2c1OCO2 ZINC000437438396 1195111073 /nfs/dbraw/zinc/11/10/73/1195111073.db2.gz IKNYNIGBDACPRJ-UHFFFAOYSA-N 2 1 376.457 0.838 20 0 GCADMP O=C(NCC(=O)N1CC[NH2+]CC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000516916135 1195112228 /nfs/dbraw/zinc/11/22/28/1195112228.db2.gz SCTCJIAGHRLYPY-HNNXBMFYSA-N 2 1 379.530 0.691 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000652735988 1195119314 /nfs/dbraw/zinc/11/93/14/1195119314.db2.gz ZJWJHOHTDRTMCW-NTDBWNAOSA-N 2 1 388.512 0.682 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000652735988 1195119316 /nfs/dbraw/zinc/11/93/16/1195119316.db2.gz ZJWJHOHTDRTMCW-NTDBWNAOSA-N 2 1 388.512 0.682 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517020847 1195125142 /nfs/dbraw/zinc/12/51/42/1195125142.db2.gz RCFLOBBMQVEYOT-HNNXBMFYSA-N 2 1 381.546 0.269 20 0 GCADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000517031735 1195126861 /nfs/dbraw/zinc/12/68/61/1195126861.db2.gz YIGVQBWEXLONJY-HNNXBMFYSA-N 2 1 398.504 0.329 20 0 GCADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000517031735 1195126863 /nfs/dbraw/zinc/12/68/63/1195126863.db2.gz YIGVQBWEXLONJY-HNNXBMFYSA-N 2 1 398.504 0.329 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000425866469 1195139757 /nfs/dbraw/zinc/13/97/57/1195139757.db2.gz QLBJGMUEQZHEPX-UHFFFAOYSA-N 2 1 382.549 0.792 20 0 GCADMP CCCC[NH+]1CCC(NC(=O)C(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425883794 1195148616 /nfs/dbraw/zinc/14/86/16/1195148616.db2.gz NCWOCJQMFYCNSL-UHFFFAOYSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000517720992 1195209723 /nfs/dbraw/zinc/20/97/23/1195209723.db2.gz DCKOXVZRJSJQMV-LJQANCHMSA-N 2 1 390.528 0.898 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000517755959 1195213712 /nfs/dbraw/zinc/21/37/12/1195213712.db2.gz AXKWLMJYFNGWCL-DLBZAZTESA-N 2 1 382.574 0.908 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000517903238 1195227862 /nfs/dbraw/zinc/22/78/62/1195227862.db2.gz VHTVNZBSLQRJML-KCITZHQASA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H](NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000517903238 1195227866 /nfs/dbraw/zinc/22/78/66/1195227866.db2.gz VHTVNZBSLQRJML-KCITZHQASA-N 2 1 388.512 0.588 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000517936826 1195230451 /nfs/dbraw/zinc/23/04/51/1195230451.db2.gz ZOIWIGCGCBDECU-GVDBMIGSSA-N 2 1 375.517 0.555 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000517974514 1195233245 /nfs/dbraw/zinc/23/32/45/1195233245.db2.gz YNJNKHCPPVOAKU-MOPGFXCFSA-N 2 1 391.560 0.215 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(=O)NCC(F)(F)F)C2)CC1 ZINC000426124495 1195242339 /nfs/dbraw/zinc/24/23/39/1195242339.db2.gz SJJANENMXOHGHT-ZDUSSCGKSA-N 2 1 378.439 0.976 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N1CCOCC1 ZINC000518081824 1195246397 /nfs/dbraw/zinc/24/63/97/1195246397.db2.gz YRVRULBXUIOYJN-IAGOWNOFSA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000518081824 1195246402 /nfs/dbraw/zinc/24/64/02/1195246402.db2.gz YRVRULBXUIOYJN-IAGOWNOFSA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)N1CCOCC1 ZINC000518081823 1195246417 /nfs/dbraw/zinc/24/64/17/1195246417.db2.gz YRVRULBXUIOYJN-DLBZAZTESA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O)[NH+]1CCOCC1 ZINC000518081823 1195246422 /nfs/dbraw/zinc/24/64/22/1195246422.db2.gz YRVRULBXUIOYJN-DLBZAZTESA-N 2 1 383.537 0.372 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnn(CCOC)c1 ZINC000438996228 1195276532 /nfs/dbraw/zinc/27/65/32/1195276532.db2.gz DMWAEQWLUZJTQX-INIZCTEOSA-N 2 1 387.550 0.566 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000518353999 1195284124 /nfs/dbraw/zinc/28/41/24/1195284124.db2.gz RKQZOKBRIGZFBE-QYZOEREBSA-N 2 1 394.560 0.669 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1C ZINC000518353999 1195284128 /nfs/dbraw/zinc/28/41/28/1195284128.db2.gz RKQZOKBRIGZFBE-QYZOEREBSA-N 2 1 394.560 0.669 20 0 GCADMP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CCCC1 ZINC000518390239 1195287509 /nfs/dbraw/zinc/28/75/09/1195287509.db2.gz OPLNQGOABQSVJA-QGZVFWFLSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cc(C)cn(C)c1=O ZINC000439209064 1195296853 /nfs/dbraw/zinc/29/68/53/1195296853.db2.gz LMSWTAUZHFUXFT-MRXNPFEDSA-N 2 1 391.516 0.507 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CN1CCN(Cc2ccccc2)CC1 ZINC000518605817 1195309190 /nfs/dbraw/zinc/30/91/90/1195309190.db2.gz YPMHBCKDNXWXDG-IBGZPJMESA-N 2 1 387.528 0.260 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000518605817 1195309195 /nfs/dbraw/zinc/30/91/95/1195309195.db2.gz YPMHBCKDNXWXDG-IBGZPJMESA-N 2 1 387.528 0.260 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000439347451 1195310972 /nfs/dbraw/zinc/31/09/72/1195310972.db2.gz VVIGAIFJLBNPCI-QGZVFWFLSA-N 2 1 387.528 0.925 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771448 1195330282 /nfs/dbraw/zinc/33/02/82/1195330282.db2.gz PQGIRHQAZAMNRV-HUUCEWRRSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 ZINC000518771448 1195330287 /nfs/dbraw/zinc/33/02/87/1195330287.db2.gz PQGIRHQAZAMNRV-HUUCEWRRSA-N 2 1 398.504 0.328 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)C2)CC1 ZINC000518802355 1195335526 /nfs/dbraw/zinc/33/55/26/1195335526.db2.gz ALDBCYNZBUZALL-MJGOQNOKSA-N 2 1 391.560 0.214 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000506725541 1195369271 /nfs/dbraw/zinc/36/92/71/1195369271.db2.gz KOISVTGICLHAKY-KRWDZBQOSA-N 2 1 397.564 0.574 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000506725541 1195369276 /nfs/dbraw/zinc/36/92/76/1195369276.db2.gz KOISVTGICLHAKY-KRWDZBQOSA-N 2 1 397.564 0.574 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000519189466 1195378628 /nfs/dbraw/zinc/37/86/28/1195378628.db2.gz BNBJVNUCQOQSGI-GOSISDBHSA-N 2 1 398.548 0.029 20 0 GCADMP CC(C)CN1CCO[C@H](CNC(=O)C(=O)N2CCN(CCOC(C)C)CC2)C1 ZINC000519189466 1195378633 /nfs/dbraw/zinc/37/86/33/1195378633.db2.gz BNBJVNUCQOQSGI-GOSISDBHSA-N 2 1 398.548 0.029 20 0 GCADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426567516 1195383647 /nfs/dbraw/zinc/38/36/47/1195383647.db2.gz WFNYSLGNLFGFKQ-HBFSDRIKSA-N 2 1 398.548 0.137 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)CC2)CC1 ZINC000519353639 1195395927 /nfs/dbraw/zinc/39/59/27/1195395927.db2.gz UDNLEKHCBBDIFJ-GOSISDBHSA-N 2 1 394.564 0.184 20 0 GCADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C(=O)NC[C@H]3CC[N@H+](CC)C3)O2)C1 ZINC000426648112 1195413096 /nfs/dbraw/zinc/41/30/96/1195413096.db2.gz RMKBTOMRDBFANR-BDXSIMOUSA-N 2 1 380.533 0.450 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415054085 1195418226 /nfs/dbraw/zinc/41/82/26/1195418226.db2.gz DYYCBQFWHRHMMI-GOSISDBHSA-N 2 1 388.516 0.553 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000415054085 1195418228 /nfs/dbraw/zinc/41/82/28/1195418228.db2.gz DYYCBQFWHRHMMI-GOSISDBHSA-N 2 1 388.516 0.553 20 0 GCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000519530042 1195425730 /nfs/dbraw/zinc/42/57/30/1195425730.db2.gz HOKJKJGWXIYBLM-WDSOQIARSA-N 2 1 375.517 0.479 20 0 GCADMP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCN1C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000519530042 1195425732 /nfs/dbraw/zinc/42/57/32/1195425732.db2.gz HOKJKJGWXIYBLM-WDSOQIARSA-N 2 1 375.517 0.479 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000550094912 1195433372 /nfs/dbraw/zinc/43/33/72/1195433372.db2.gz LDESDWZVUARYLL-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000550098530 1195434655 /nfs/dbraw/zinc/43/46/55/1195434655.db2.gz VTOCPIDLDSZOSL-ZWKOTPCHSA-N 2 1 380.533 0.546 20 0 GCADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CCC(=O)N3CC[NH2+]CC3)C2=O)c1 ZINC000262042693 1195441727 /nfs/dbraw/zinc/44/17/27/1195441727.db2.gz HTYXIPDIIDMRDO-SFHVURJKSA-N 2 1 390.484 0.563 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550133417 1195445518 /nfs/dbraw/zinc/44/55/18/1195445518.db2.gz NZKSCJYAAQLKKV-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550133417 1195445522 /nfs/dbraw/zinc/44/55/22/1195445522.db2.gz NZKSCJYAAQLKKV-IYBDPMFKSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000550135450 1195446503 /nfs/dbraw/zinc/44/65/03/1195446503.db2.gz NLBGAKSRKGODGB-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550206844 1195461585 /nfs/dbraw/zinc/46/15/85/1195461585.db2.gz MNIHAYWWZCBFDF-OWCLPIDISA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000550206844 1195461587 /nfs/dbraw/zinc/46/15/87/1195461587.db2.gz MNIHAYWWZCBFDF-OWCLPIDISA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550206844 1195461590 /nfs/dbraw/zinc/46/15/90/1195461590.db2.gz MNIHAYWWZCBFDF-OWCLPIDISA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000550206844 1195461591 /nfs/dbraw/zinc/46/15/91/1195461591.db2.gz MNIHAYWWZCBFDF-OWCLPIDISA-N 2 1 380.533 0.591 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550267125 1195473033 /nfs/dbraw/zinc/47/30/33/1195473033.db2.gz MWGWGSQXRJKJMY-AWEZNQCLSA-N 2 1 382.549 0.715 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550267125 1195473035 /nfs/dbraw/zinc/47/30/35/1195473035.db2.gz MWGWGSQXRJKJMY-AWEZNQCLSA-N 2 1 382.549 0.715 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519593347 1195501820 /nfs/dbraw/zinc/50/18/20/1195501820.db2.gz UUZMQRRNPCSZJA-FUHWJXTLSA-N 2 1 377.533 0.857 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000507358654 1195512326 /nfs/dbraw/zinc/51/23/26/1195512326.db2.gz MUZGMEHERLYSPJ-UHFFFAOYSA-N 2 1 381.521 0.535 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000507397960 1195516110 /nfs/dbraw/zinc/51/61/10/1195516110.db2.gz BSIXGYOUIDXJOP-GOSISDBHSA-N 2 1 388.512 0.496 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000507385220 1195516583 /nfs/dbraw/zinc/51/65/83/1195516583.db2.gz IASFFJZSHLPFEM-UHFFFAOYSA-N 2 1 390.484 0.786 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000427379471 1195530844 /nfs/dbraw/zinc/53/08/44/1195530844.db2.gz KCFVCGBASFGTER-INIZCTEOSA-N 2 1 376.505 0.887 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000427379471 1195530846 /nfs/dbraw/zinc/53/08/46/1195530846.db2.gz KCFVCGBASFGTER-INIZCTEOSA-N 2 1 376.505 0.887 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CC1 ZINC000519734351 1195567558 /nfs/dbraw/zinc/56/75/58/1195567558.db2.gz YBVLCJZAVUWWQR-FUHWJXTLSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC1CC[NH2+]CC1 ZINC000519813418 1195572810 /nfs/dbraw/zinc/57/28/10/1195572810.db2.gz IUJJWJSDICJYGS-QGZVFWFLSA-N 2 1 387.528 0.429 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cncc(C(=O)OC)c1 ZINC000519861168 1195578829 /nfs/dbraw/zinc/57/88/29/1195578829.db2.gz KULPJLNLCZIHLM-INIZCTEOSA-N 2 1 398.529 0.905 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000441021660 1195598060 /nfs/dbraw/zinc/59/80/60/1195598060.db2.gz BCWZACSHFQIFAX-UHFFFAOYSA-N 2 1 396.580 0.302 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000441021660 1195598062 /nfs/dbraw/zinc/59/80/62/1195598062.db2.gz BCWZACSHFQIFAX-UHFFFAOYSA-N 2 1 396.580 0.302 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000520285071 1195615816 /nfs/dbraw/zinc/61/58/16/1195615816.db2.gz KSRJDWLWDJOTJF-APWZRJJASA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520335220 1195621994 /nfs/dbraw/zinc/62/19/94/1195621994.db2.gz JVJDCUVJCIBWCR-QZTJIDSGSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000520335220 1195621997 /nfs/dbraw/zinc/62/19/97/1195621997.db2.gz JVJDCUVJCIBWCR-QZTJIDSGSA-N 2 1 380.533 0.548 20 0 GCADMP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000550358797 1195643466 /nfs/dbraw/zinc/64/34/66/1195643466.db2.gz FJGKTBXVSPGFNT-ROUUACIJSA-N 2 1 382.549 0.648 20 0 GCADMP CC(C)C[C@@H](CNC(=O)C(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000550358797 1195643469 /nfs/dbraw/zinc/64/34/69/1195643469.db2.gz FJGKTBXVSPGFNT-ROUUACIJSA-N 2 1 382.549 0.648 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)C1 ZINC000550358456 1195643516 /nfs/dbraw/zinc/64/35/16/1195643516.db2.gz APWSYDFUKSBMMI-MSOLQXFVSA-N 2 1 382.549 0.698 20 0 GCADMP CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)C1 ZINC000550358458 1195643534 /nfs/dbraw/zinc/64/35/34/1195643534.db2.gz APWSYDFUKSBMMI-QZTJIDSGSA-N 2 1 382.549 0.698 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000550364438 1195645041 /nfs/dbraw/zinc/64/50/41/1195645041.db2.gz FDPXVUNWZVXZNF-UHFFFAOYSA-N 2 1 381.565 0.463 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NCC1([NH+](C)C)CCCC1)[NH+]1CCN(C)CC1 ZINC000550386641 1195653594 /nfs/dbraw/zinc/65/35/94/1195653594.db2.gz KYBCFBDMTQASCL-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)COC ZINC000188935135 1195741266 /nfs/dbraw/zinc/74/12/66/1195741266.db2.gz AGYXIGGDXPVCCI-KSZLIROESA-N 2 1 382.549 0.983 20 0 GCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](COC)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000188935135 1195741271 /nfs/dbraw/zinc/74/12/71/1195741271.db2.gz AGYXIGGDXPVCCI-KSZLIROESA-N 2 1 382.549 0.983 20 0 GCADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](COC)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000188935135 1195741274 /nfs/dbraw/zinc/74/12/74/1195741274.db2.gz AGYXIGGDXPVCCI-KSZLIROESA-N 2 1 382.549 0.983 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000729497013 1195746694 /nfs/dbraw/zinc/74/66/94/1195746694.db2.gz OEILDDUECMJOEU-KRWDZBQOSA-N 2 1 399.499 0.962 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000729497013 1195746697 /nfs/dbraw/zinc/74/66/97/1195746697.db2.gz OEILDDUECMJOEU-KRWDZBQOSA-N 2 1 399.499 0.962 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000550413787 1195754483 /nfs/dbraw/zinc/75/44/83/1195754483.db2.gz ZDFNURAEIHCNAC-PKOBYXMFSA-N 2 1 390.528 0.360 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1)N1CC[NH2+]CC1 ZINC000262102306 1195758798 /nfs/dbraw/zinc/75/87/98/1195758798.db2.gz MEGMXEMOEQUKMU-UHFFFAOYSA-N 2 1 378.904 0.849 20 0 GCADMP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC000983930411 1195794589 /nfs/dbraw/zinc/79/45/89/1195794589.db2.gz XNUNJASVYABDFD-ZJPYXAASSA-N 2 1 392.544 0.545 20 0 GCADMP C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC000983930411 1195794593 /nfs/dbraw/zinc/79/45/93/1195794593.db2.gz XNUNJASVYABDFD-ZJPYXAASSA-N 2 1 392.544 0.545 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@H]1CCN2c1nc(C(N)=O)cc(N2CC[C@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000895091907 1195804085 /nfs/dbraw/zinc/80/40/85/1195804085.db2.gz JYTZQSLJLINRFA-BSDSXHPESA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000895091907 1195804088 /nfs/dbraw/zinc/80/40/88/1195804088.db2.gz JYTZQSLJLINRFA-BSDSXHPESA-N 2 1 399.543 0.921 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2c1cc(C(N)=O)nc(N2CC[C@@H]3[C@H]2CCC[N@H+]3C)n1 ZINC000895091907 1195804090 /nfs/dbraw/zinc/80/40/90/1195804090.db2.gz JYTZQSLJLINRFA-BSDSXHPESA-N 2 1 399.543 0.921 20 0 GCADMP C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000520771813 1195852397 /nfs/dbraw/zinc/85/23/97/1195852397.db2.gz BSONHHSLKYSYML-OALUTQOASA-N 2 1 385.512 0.821 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000474020903 1195874211 /nfs/dbraw/zinc/87/42/11/1195874211.db2.gz LRUHQIDQGQWAPY-GOSISDBHSA-N 2 1 383.581 0.795 20 0 GCADMP C[C@@H](CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000427796344 1195877741 /nfs/dbraw/zinc/87/77/41/1195877741.db2.gz JAZPCFYIURCWEB-QXCZDIPSSA-N 2 1 376.545 0.833 20 0 GCADMP C[C@@H](CCC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427796344 1195877747 /nfs/dbraw/zinc/87/77/47/1195877747.db2.gz JAZPCFYIURCWEB-QXCZDIPSSA-N 2 1 376.545 0.833 20 0 GCADMP C[C@@H](CCC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)CC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000427796344 1195877751 /nfs/dbraw/zinc/87/77/51/1195877751.db2.gz JAZPCFYIURCWEB-QXCZDIPSSA-N 2 1 376.545 0.833 20 0 GCADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000427867920 1195889514 /nfs/dbraw/zinc/88/95/14/1195889514.db2.gz SUTVBLXIQJXMEV-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000427867920 1195889517 /nfs/dbraw/zinc/88/95/17/1195889517.db2.gz SUTVBLXIQJXMEV-MSOLQXFVSA-N 2 1 382.549 0.936 20 0 GCADMP C[N@@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000441998156 1195937713 /nfs/dbraw/zinc/93/77/13/1195937713.db2.gz IOMVFGJPGZBWPY-OAHLLOKOSA-N 2 1 387.484 0.274 20 0 GCADMP C[N@H+]1Cc2ccc(NC(=O)C(=O)NCCC[NH+]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000441998156 1195937715 /nfs/dbraw/zinc/93/77/15/1195937715.db2.gz IOMVFGJPGZBWPY-OAHLLOKOSA-N 2 1 387.484 0.274 20 0 GCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000441998156 1195937719 /nfs/dbraw/zinc/93/77/19/1195937719.db2.gz IOMVFGJPGZBWPY-OAHLLOKOSA-N 2 1 387.484 0.274 20 0 GCADMP C[NH+]1Cc2ccc(NC(=O)C(=O)NCCC[N@H+]3CCC[C@@H](C(N)=O)C3)cc2C1 ZINC000441998156 1195937720 /nfs/dbraw/zinc/93/77/20/1195937720.db2.gz IOMVFGJPGZBWPY-OAHLLOKOSA-N 2 1 387.484 0.274 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000643397783 1195941948 /nfs/dbraw/zinc/94/19/48/1195941948.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 2 1 379.549 0.212 20 0 GCADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000643397783 1195941951 /nfs/dbraw/zinc/94/19/51/1195941951.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 2 1 379.549 0.212 20 0 GCADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000643397783 1195941953 /nfs/dbraw/zinc/94/19/53/1195941953.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 2 1 379.549 0.212 20 0 GCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000643397783 1195941957 /nfs/dbraw/zinc/94/19/57/1195941957.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 2 1 379.549 0.212 20 0 GCADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000643397783 1195941958 /nfs/dbraw/zinc/94/19/58/1195941958.db2.gz QBOPVNBXGYMIOQ-SJLPKXTDSA-N 2 1 379.549 0.212 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000520977261 1195948061 /nfs/dbraw/zinc/94/80/61/1195948061.db2.gz DJJGXYZPEUSWSB-KRWDZBQOSA-N 2 1 396.557 0.751 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@]3(COC)CC[NH2+]C3)cc2)CC1 ZINC000521039736 1195956089 /nfs/dbraw/zinc/95/60/89/1195956089.db2.gz MZFBGYQJKZPASE-NRFANRHFSA-N 2 1 388.512 0.958 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066737 1195959108 /nfs/dbraw/zinc/95/91/08/1195959108.db2.gz OHYMYTHTGHHJBC-MOPGFXCFSA-N 2 1 394.560 0.935 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)CC2)CC1 ZINC000521066738 1195959386 /nfs/dbraw/zinc/95/93/86/1195959386.db2.gz OHYMYTHTGHHJBC-OALUTQOASA-N 2 1 394.560 0.935 20 0 GCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521128697 1195966819 /nfs/dbraw/zinc/96/68/19/1195966819.db2.gz YGCWLFUSXULOFA-QZTJIDSGSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000521128697 1195966822 /nfs/dbraw/zinc/96/68/22/1195966822.db2.gz YGCWLFUSXULOFA-QZTJIDSGSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CCCO1 ZINC000521233914 1195981105 /nfs/dbraw/zinc/98/11/05/1195981105.db2.gz WTTMMHPWFGTZIO-MSOLQXFVSA-N 2 1 380.533 0.548 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000550458448 1195983748 /nfs/dbraw/zinc/98/37/48/1195983748.db2.gz URSMELBVCOISHM-IBGZPJMESA-N 2 1 390.528 0.837 20 0 GCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000521363755 1195991694 /nfs/dbraw/zinc/99/16/94/1195991694.db2.gz MUWGUAMIWWOYTF-GOSISDBHSA-N 2 1 377.537 0.414 20 0 GCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000521363755 1195991697 /nfs/dbraw/zinc/99/16/97/1195991697.db2.gz MUWGUAMIWWOYTF-GOSISDBHSA-N 2 1 377.537 0.414 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)NCC3CC[NH2+]CC3)CC2)CC1 ZINC000521362465 1195991812 /nfs/dbraw/zinc/99/18/12/1195991812.db2.gz FQINGINQCUYZRK-UHFFFAOYSA-N 2 1 379.549 0.962 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000521392874 1195994280 /nfs/dbraw/zinc/99/42/80/1195994280.db2.gz HXAJPSCCVDURAX-ZHALLVOQSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000521392874 1195994284 /nfs/dbraw/zinc/99/42/84/1195994284.db2.gz HXAJPSCCVDURAX-ZHALLVOQSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000521392874 1195994286 /nfs/dbraw/zinc/99/42/86/1195994286.db2.gz HXAJPSCCVDURAX-ZHALLVOQSA-N 2 1 392.544 0.641 20 0 GCADMP CC[N@H+](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000442725656 1196000740 /nfs/dbraw/zinc/00/07/40/1196000740.db2.gz QITBAXRFXGXACL-UHFFFAOYSA-N 2 1 380.533 0.548 20 0 GCADMP CC[N@@H+](CC(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000442725656 1196000742 /nfs/dbraw/zinc/00/07/42/1196000742.db2.gz QITBAXRFXGXACL-UHFFFAOYSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000521625817 1196008719 /nfs/dbraw/zinc/00/87/19/1196008719.db2.gz ORRZGBYMPRGXKN-IAGOWNOFSA-N 2 1 375.517 0.509 20 0 GCADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000443069847 1196018266 /nfs/dbraw/zinc/01/82/66/1196018266.db2.gz KQHNMSNUNQLWEQ-KRWDZBQOSA-N 2 1 394.541 0.580 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001075813769 1196048677 /nfs/dbraw/zinc/04/86/77/1196048677.db2.gz YHOSIZBAZPXAIU-WNRNVDISSA-N 2 1 378.517 0.108 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)N4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001075813769 1196048679 /nfs/dbraw/zinc/04/86/79/1196048679.db2.gz YHOSIZBAZPXAIU-WNRNVDISSA-N 2 1 378.517 0.108 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)N4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001075813769 1196048682 /nfs/dbraw/zinc/04/86/82/1196048682.db2.gz YHOSIZBAZPXAIU-WNRNVDISSA-N 2 1 378.517 0.108 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001075813769 1196048684 /nfs/dbraw/zinc/04/86/84/1196048684.db2.gz YHOSIZBAZPXAIU-WNRNVDISSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000550481821 1196053788 /nfs/dbraw/zinc/05/37/88/1196053788.db2.gz KMKUUHNCWCGIHD-MRXNPFEDSA-N 2 1 376.501 0.796 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC)CC2)CC[N@@H+]1CCOC ZINC000550495924 1196056830 /nfs/dbraw/zinc/05/68/30/1196056830.db2.gz VLASFSCOXGKKLT-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC)CC2)CC[N@H+]1CCOC ZINC000550495924 1196056831 /nfs/dbraw/zinc/05/68/31/1196056831.db2.gz VLASFSCOXGKKLT-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC)CC2)CC[N@@H+]1CCOC ZINC000550495925 1196056893 /nfs/dbraw/zinc/05/68/93/1196056893.db2.gz VLASFSCOXGKKLT-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC2CC[NH+](CCC)CC2)CC[N@H+]1CCOC ZINC000550495925 1196056896 /nfs/dbraw/zinc/05/68/96/1196056896.db2.gz VLASFSCOXGKKLT-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516407 1196064103 /nfs/dbraw/zinc/06/41/03/1196064103.db2.gz MUZIGNQIBVURAB-SJORKVTESA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000550518767 1196072930 /nfs/dbraw/zinc/07/29/30/1196072930.db2.gz IQEYWLDINNVQBQ-FUHWJXTLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000550518767 1196072931 /nfs/dbraw/zinc/07/29/31/1196072931.db2.gz IQEYWLDINNVQBQ-FUHWJXTLSA-N 2 1 379.549 0.071 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)CC1 ZINC000550518767 1196072934 /nfs/dbraw/zinc/07/29/34/1196072934.db2.gz IQEYWLDINNVQBQ-FUHWJXTLSA-N 2 1 379.549 0.071 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000550550054 1196083162 /nfs/dbraw/zinc/08/31/62/1196083162.db2.gz BMJFCXUEOFOBPG-KRWDZBQOSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000550550054 1196083165 /nfs/dbraw/zinc/08/31/65/1196083165.db2.gz BMJFCXUEOFOBPG-KRWDZBQOSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000550550054 1196083167 /nfs/dbraw/zinc/08/31/67/1196083167.db2.gz BMJFCXUEOFOBPG-KRWDZBQOSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580949 1196092801 /nfs/dbraw/zinc/09/28/01/1196092801.db2.gz DZOMDRYUYCFMSD-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580949 1196092802 /nfs/dbraw/zinc/09/28/02/1196092802.db2.gz DZOMDRYUYCFMSD-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580949 1196092803 /nfs/dbraw/zinc/09/28/03/1196092803.db2.gz DZOMDRYUYCFMSD-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580949 1196092806 /nfs/dbraw/zinc/09/28/06/1196092806.db2.gz DZOMDRYUYCFMSD-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000550580949 1196092807 /nfs/dbraw/zinc/09/28/07/1196092807.db2.gz DZOMDRYUYCFMSD-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087972027 1196142871 /nfs/dbraw/zinc/14/28/71/1196142871.db2.gz GTQRPVMLDBNOQA-LTIDMASMSA-N 2 1 391.516 0.049 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087972027 1196142872 /nfs/dbraw/zinc/14/28/72/1196142872.db2.gz GTQRPVMLDBNOQA-LTIDMASMSA-N 2 1 391.516 0.049 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[NH+](CCCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[N@H+]1C ZINC001087971180 1196143903 /nfs/dbraw/zinc/14/39/03/1196143903.db2.gz JNNKGLPLXBLTHF-WCXIOVBPSA-N 2 1 391.516 0.049 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971180 1196143905 /nfs/dbraw/zinc/14/39/05/1196143905.db2.gz JNNKGLPLXBLTHF-WCXIOVBPSA-N 2 1 391.516 0.049 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[N@H+](CCCN4C(=O)CNC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087971180 1196143908 /nfs/dbraw/zinc/14/39/08/1196143908.db2.gz JNNKGLPLXBLTHF-WCXIOVBPSA-N 2 1 391.516 0.049 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000329178966 1196172344 /nfs/dbraw/zinc/17/23/44/1196172344.db2.gz CWOWXCQGOCJCPA-DQCOHUIHSA-N 2 1 396.576 0.725 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000329178966 1196172345 /nfs/dbraw/zinc/17/23/45/1196172345.db2.gz CWOWXCQGOCJCPA-DQCOHUIHSA-N 2 1 396.576 0.725 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C[C@@H](O)CC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000329178966 1196172348 /nfs/dbraw/zinc/17/23/48/1196172348.db2.gz CWOWXCQGOCJCPA-DQCOHUIHSA-N 2 1 396.576 0.725 20 0 GCADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000329234602 1196178822 /nfs/dbraw/zinc/17/88/22/1196178822.db2.gz MURFKOULTDYPLN-FXAWDEMLSA-N 2 1 378.517 0.254 20 0 GCADMP C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)C2)C1 ZINC000329234602 1196178825 /nfs/dbraw/zinc/17/88/25/1196178825.db2.gz MURFKOULTDYPLN-FXAWDEMLSA-N 2 1 378.517 0.254 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726844 1196227264 /nfs/dbraw/zinc/22/72/64/1196227264.db2.gz OOTIOSAMGJDNST-SQNIBIBYSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726844 1196227266 /nfs/dbraw/zinc/22/72/66/1196227266.db2.gz OOTIOSAMGJDNST-SQNIBIBYSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726844 1196227269 /nfs/dbraw/zinc/22/72/69/1196227269.db2.gz OOTIOSAMGJDNST-SQNIBIBYSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726839 1196227273 /nfs/dbraw/zinc/22/72/73/1196227273.db2.gz OOTIOSAMGJDNST-KURKYZTESA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726839 1196227275 /nfs/dbraw/zinc/22/72/75/1196227275.db2.gz OOTIOSAMGJDNST-KURKYZTESA-N 2 1 380.533 0.498 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329726839 1196227277 /nfs/dbraw/zinc/22/72/77/1196227277.db2.gz OOTIOSAMGJDNST-KURKYZTESA-N 2 1 380.533 0.498 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1F ZINC000281530886 1196302447 /nfs/dbraw/zinc/30/24/47/1196302447.db2.gz JRENMXGBIMVVFG-UHFFFAOYSA-N 2 1 386.493 0.571 20 0 GCADMP C[NH+]1C[C@H]2CN(c3nc(C(N)=O)cc(N4C[C@H]5C[N@H+](C)C[C@@]5(C)C4)n3)C[C@@]2(C)C1 ZINC000896911704 1196365392 /nfs/dbraw/zinc/36/53/92/1196365392.db2.gz ASADYBPZWHETFN-UGCQDJOBSA-N 2 1 399.543 0.351 20 0 GCADMP C[NH+]1C[C@@H]2CN(c3cc(C(N)=O)nc(N4C[C@@H]5C[N@H+](C)C[C@]5(C)C4)n3)C[C@]2(C)C1 ZINC000896911704 1196365398 /nfs/dbraw/zinc/36/53/98/1196365398.db2.gz ASADYBPZWHETFN-UGCQDJOBSA-N 2 1 399.543 0.351 20 0 GCADMP C[NH+]1C[C@@H]2CN(c3cc(C(N)=O)nc(N4C[C@@H]5C[N@@H+](C)C[C@]5(C)C4)n3)C[C@]2(C)C1 ZINC000896911704 1196365402 /nfs/dbraw/zinc/36/54/02/1196365402.db2.gz ASADYBPZWHETFN-UGCQDJOBSA-N 2 1 399.543 0.351 20 0 GCADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000665712770 1196446249 /nfs/dbraw/zinc/44/62/49/1196446249.db2.gz KZOKWHWKKADJLC-SFHVURJKSA-N 2 1 381.565 0.814 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717532 1196447312 /nfs/dbraw/zinc/44/73/12/1196447312.db2.gz CZTFFEXMOFDKEH-GCJKJVERSA-N 2 1 399.539 0.994 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)C[NH+]1CCOCC1 ZINC000523460050 1196526431 /nfs/dbraw/zinc/52/64/31/1196526431.db2.gz ILAXKUQGVPPYRE-INIZCTEOSA-N 2 1 392.500 0.650 20 0 GCADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(CCO)CC2)CC1 ZINC000523701125 1196550918 /nfs/dbraw/zinc/55/09/18/1196550918.db2.gz AAWHAOJYYLSGDL-UHFFFAOYSA-N 2 1 383.581 0.892 20 0 GCADMP CC(C)(C)[N@@H+]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000523701125 1196550921 /nfs/dbraw/zinc/55/09/21/1196550921.db2.gz AAWHAOJYYLSGDL-UHFFFAOYSA-N 2 1 383.581 0.892 20 0 GCADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCCCCN2CC[NH+](CCO)CC2)CC1 ZINC000523701125 1196550924 /nfs/dbraw/zinc/55/09/24/1196550924.db2.gz AAWHAOJYYLSGDL-UHFFFAOYSA-N 2 1 383.581 0.892 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCC(C)(C)N1CCOCC1 ZINC000523919140 1196568250 /nfs/dbraw/zinc/56/82/50/1196568250.db2.gz ADUZATVPANXFKX-MRXNPFEDSA-N 2 1 383.537 0.339 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000524135649 1196577702 /nfs/dbraw/zinc/57/77/02/1196577702.db2.gz MNLITQVWEHAVKL-QRVBRYPASA-N 2 1 381.565 0.907 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000524139935 1196578149 /nfs/dbraw/zinc/57/81/49/1196578149.db2.gz HAZHNLAHQUQIOK-INIZCTEOSA-N 2 1 383.537 0.515 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000524419719 1196594481 /nfs/dbraw/zinc/59/44/81/1196594481.db2.gz YSFHNYOBZDMLGH-RBUKOAKNSA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000524419719 1196594487 /nfs/dbraw/zinc/59/44/87/1196594487.db2.gz YSFHNYOBZDMLGH-RBUKOAKNSA-N 2 1 387.528 0.997 20 0 GCADMP NC(=O)[C@H]1CCC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)C1 ZINC000524419719 1196594493 /nfs/dbraw/zinc/59/44/93/1196594493.db2.gz YSFHNYOBZDMLGH-RBUKOAKNSA-N 2 1 387.528 0.997 20 0 GCADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000524591865 1196608382 /nfs/dbraw/zinc/60/83/82/1196608382.db2.gz UWHFZQPVSNEVKR-UHFFFAOYSA-N 2 1 381.521 0.535 20 0 GCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000524619482 1196610969 /nfs/dbraw/zinc/61/09/69/1196610969.db2.gz UPIWPVYUVVTEQE-ROUUACIJSA-N 2 1 397.564 0.321 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000524750686 1196619781 /nfs/dbraw/zinc/61/97/81/1196619781.db2.gz MORWNLHDFMUUMR-IBGZPJMESA-N 2 1 391.560 0.168 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N3CCN(C(=O)C4CC4)CC3)C2)CC1 ZINC000524750686 1196619784 /nfs/dbraw/zinc/61/97/84/1196619784.db2.gz MORWNLHDFMUUMR-IBGZPJMESA-N 2 1 391.560 0.168 20 0 GCADMP CN(C)c1nc(N2CCN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC2)cc[nH+]1 ZINC000446372889 1196640152 /nfs/dbraw/zinc/64/01/52/1196640152.db2.gz YGIHRRUKTLVRFW-AKCHCHLHSA-N 2 1 388.516 0.724 20 0 GCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996933 1196641981 /nfs/dbraw/zinc/64/19/81/1196641981.db2.gz SJKUSNUWOWXCCK-GHTZIAJQSA-N 2 1 390.528 0.891 20 0 GCADMP C[C@@H](CNC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000524996933 1196641984 /nfs/dbraw/zinc/64/19/84/1196641984.db2.gz SJKUSNUWOWXCCK-GHTZIAJQSA-N 2 1 390.528 0.891 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524992481 1196643206 /nfs/dbraw/zinc/64/32/06/1196643206.db2.gz ICEJIGUQACSUMX-FQEVSTJZSA-N 2 1 376.501 0.645 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524992481 1196643208 /nfs/dbraw/zinc/64/32/08/1196643208.db2.gz ICEJIGUQACSUMX-FQEVSTJZSA-N 2 1 376.501 0.645 20 0 GCADMP CC(=O)N[C@H](C)C1CC[NH+](CC(O)C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)CC1 ZINC000447316509 1196707117 /nfs/dbraw/zinc/70/71/17/1196707117.db2.gz YXHYWYTXKXXOSL-HZPDHXFCSA-N 2 1 396.576 0.821 20 0 GCADMP CC[NH+]1CCC(n2nccc2NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000526088577 1196739787 /nfs/dbraw/zinc/73/97/87/1196739787.db2.gz LLNFXLVHMJPOQG-HNNXBMFYSA-N 2 1 376.505 0.936 20 0 GCADMP Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527079989 1196763484 /nfs/dbraw/zinc/76/34/84/1196763484.db2.gz AHPBOYPXRANDQB-HNNXBMFYSA-N 2 1 375.473 0.623 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CCCO1 ZINC000418115597 1196780005 /nfs/dbraw/zinc/78/00/05/1196780005.db2.gz OSOQSXUKMACAMQ-DLBZAZTESA-N 2 1 383.537 0.516 20 0 GCADMP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000529374604 1196920114 /nfs/dbraw/zinc/92/01/14/1196920114.db2.gz GEGSDRQBVSKXKE-QXAKKESOSA-N 2 1 381.565 0.953 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000648120912 1196926643 /nfs/dbraw/zinc/92/66/43/1196926643.db2.gz VZDBBOYNHCOXIP-IBGZPJMESA-N 2 1 386.496 0.619 20 0 GCADMP COc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000450833218 1196956520 /nfs/dbraw/zinc/95/65/20/1196956520.db2.gz XTRVZDKMAGSMJH-DBPPKFAGSA-N 2 1 387.532 0.798 20 0 GCADMP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000391038347 1196960547 /nfs/dbraw/zinc/96/05/47/1196960547.db2.gz QCAYNIUDOIZHMN-MJGOQNOKSA-N 2 1 376.501 0.493 20 0 GCADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000530570674 1196997140 /nfs/dbraw/zinc/99/71/40/1196997140.db2.gz HUQISEPRYOAZDH-OAHLLOKOSA-N 2 1 389.500 0.972 20 0 GCADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)C1 ZINC000530570674 1196997142 /nfs/dbraw/zinc/99/71/42/1196997142.db2.gz HUQISEPRYOAZDH-OAHLLOKOSA-N 2 1 389.500 0.972 20 0 GCADMP Cc1cc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000530950689 1197032607 /nfs/dbraw/zinc/03/26/07/1197032607.db2.gz WCCLCMFDEBMUHL-UHFFFAOYSA-N 2 1 391.520 0.744 20 0 GCADMP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452786329 1197081539 /nfs/dbraw/zinc/08/15/39/1197081539.db2.gz UXFRXOGFKVQEFX-GOSISDBHSA-N 2 1 375.517 0.557 20 0 GCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644958 1197089441 /nfs/dbraw/zinc/08/94/41/1197089441.db2.gz DLLZGWAINHBWED-RBUKOAKNSA-N 2 1 379.549 0.214 20 0 GCADMP CC(=O)N[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000531644958 1197089445 /nfs/dbraw/zinc/08/94/45/1197089445.db2.gz DLLZGWAINHBWED-RBUKOAKNSA-N 2 1 379.549 0.214 20 0 GCADMP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000452969729 1197090900 /nfs/dbraw/zinc/09/09/00/1197090900.db2.gz DJTYASOIMOKLEH-MQOFPFBISA-N 2 1 388.556 0.974 20 0 GCADMP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000452969729 1197090903 /nfs/dbraw/zinc/09/09/03/1197090903.db2.gz DJTYASOIMOKLEH-MQOFPFBISA-N 2 1 388.556 0.974 20 0 GCADMP C[C@@H]1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@@H](C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000452969729 1197090907 /nfs/dbraw/zinc/09/09/07/1197090907.db2.gz DJTYASOIMOKLEH-MQOFPFBISA-N 2 1 388.556 0.974 20 0 GCADMP CC1C[C@@H](C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)[C@H](C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000452969730 1197090926 /nfs/dbraw/zinc/09/09/26/1197090926.db2.gz DJTYASOIMOKLEH-VTYCOLDWSA-N 2 1 388.556 0.974 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2ncnn2c1 ZINC000453713327 1197125241 /nfs/dbraw/zinc/12/52/41/1197125241.db2.gz UOJHELUOUDQNNB-INIZCTEOSA-N 2 1 387.488 0.542 20 0 GCADMP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CN1CC[NH+](C)CC1 ZINC000532264894 1197132326 /nfs/dbraw/zinc/13/23/26/1197132326.db2.gz FFMKCTDTZPCBEQ-BHIYHBOVSA-N 2 1 381.565 0.547 20 0 GCADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000453802062 1197137695 /nfs/dbraw/zinc/13/76/95/1197137695.db2.gz BDRDTUGEYJLTQC-QGZVFWFLSA-N 2 1 376.501 0.958 20 0 GCADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532334097 1197145566 /nfs/dbraw/zinc/14/55/66/1197145566.db2.gz WBZXZXYZFXCNPS-DACLVMHWSA-N 2 1 378.517 0.201 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000532334097 1197145568 /nfs/dbraw/zinc/14/55/68/1197145568.db2.gz WBZXZXYZFXCNPS-DACLVMHWSA-N 2 1 378.517 0.201 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)COCC(=O)N[C@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000532334097 1197145569 /nfs/dbraw/zinc/14/55/69/1197145569.db2.gz WBZXZXYZFXCNPS-DACLVMHWSA-N 2 1 378.517 0.201 20 0 GCADMP CC[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000666029946 1197151925 /nfs/dbraw/zinc/15/19/25/1197151925.db2.gz GVMHMMOLVFBILZ-VJANTYMQSA-N 2 1 376.501 0.765 20 0 GCADMP CC[N@H+]1CCO[C@@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[C@@H]1c1ccccc1 ZINC000666029946 1197151926 /nfs/dbraw/zinc/15/19/26/1197151926.db2.gz GVMHMMOLVFBILZ-VJANTYMQSA-N 2 1 376.501 0.765 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H]2CN2CCOCC2)CC1=O ZINC000174499590 1197181099 /nfs/dbraw/zinc/18/10/99/1197181099.db2.gz BMMWYAGHBZYIEG-GUDVDZBRSA-N 2 1 392.544 0.642 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178693262 1197196124 /nfs/dbraw/zinc/19/61/24/1197196124.db2.gz WWUJRNIHZFMHGN-WMZOPIPTSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000178693262 1197196127 /nfs/dbraw/zinc/19/61/27/1197196127.db2.gz WWUJRNIHZFMHGN-WMZOPIPTSA-N 2 1 377.533 0.809 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000186949476 1197229865 /nfs/dbraw/zinc/22/98/65/1197229865.db2.gz ZESJLHCHGZFFLS-RCCFBDPRSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000186949476 1197229869 /nfs/dbraw/zinc/22/98/69/1197229869.db2.gz ZESJLHCHGZFFLS-RCCFBDPRSA-N 2 1 394.560 0.623 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1=O ZINC000186949476 1197229872 /nfs/dbraw/zinc/22/98/72/1197229872.db2.gz ZESJLHCHGZFFLS-RCCFBDPRSA-N 2 1 394.560 0.623 20 0 GCADMP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000666627401 1197313314 /nfs/dbraw/zinc/31/33/14/1197313314.db2.gz DCUSBAHANLLOLX-LJQANCHMSA-N 2 1 382.464 0.619 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1=O ZINC000105322789 1197326762 /nfs/dbraw/zinc/32/67/62/1197326762.db2.gz DCVWCLIINIHSDQ-CVEARBPZSA-N 2 1 376.505 0.716 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000114454252 1197336442 /nfs/dbraw/zinc/33/64/42/1197336442.db2.gz XVGUEMDCQWNGRI-UHFFFAOYSA-N 2 1 393.576 0.606 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000114454252 1197336446 /nfs/dbraw/zinc/33/64/46/1197336446.db2.gz XVGUEMDCQWNGRI-UHFFFAOYSA-N 2 1 393.576 0.606 20 0 GCADMP CC[N@@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897462057 1197338055 /nfs/dbraw/zinc/33/80/55/1197338055.db2.gz DXBYPIMEFDNSLE-LJQANCHMSA-N 2 1 387.528 0.525 20 0 GCADMP CC[N@H+]1CC[C@@H]1CNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000897462057 1197338057 /nfs/dbraw/zinc/33/80/57/1197338057.db2.gz DXBYPIMEFDNSLE-LJQANCHMSA-N 2 1 387.528 0.525 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000120876793 1197342500 /nfs/dbraw/zinc/34/25/00/1197342500.db2.gz QLAIGGZQIFHEGJ-ROUUACIJSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000120876793 1197342503 /nfs/dbraw/zinc/34/25/03/1197342503.db2.gz QLAIGGZQIFHEGJ-ROUUACIJSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000120876793 1197342506 /nfs/dbraw/zinc/34/25/06/1197342506.db2.gz QLAIGGZQIFHEGJ-ROUUACIJSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000332968029 1197348413 /nfs/dbraw/zinc/34/84/13/1197348413.db2.gz HCHKUJHZDHZZNN-QZTJIDSGSA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000332968029 1197348417 /nfs/dbraw/zinc/34/84/17/1197348417.db2.gz HCHKUJHZDHZZNN-QZTJIDSGSA-N 2 1 395.548 0.291 20 0 GCADMP [NH3+]CCOc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1 ZINC000666670448 1197363109 /nfs/dbraw/zinc/36/31/09/1197363109.db2.gz VGRQYABFUMYMGV-SFHVURJKSA-N 2 1 390.484 0.676 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCNS(=O)(=O)CC)CC2)CC1 ZINC000132769183 1197380990 /nfs/dbraw/zinc/38/09/90/1197380990.db2.gz AMJVTCYHIKPANL-UHFFFAOYSA-N 2 1 388.578 0.582 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000105318086 1197391669 /nfs/dbraw/zinc/39/16/69/1197391669.db2.gz SMNGZJYWSWPSRF-QRVBRYPASA-N 2 1 394.560 0.792 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CC1=O ZINC000105318086 1197391673 /nfs/dbraw/zinc/39/16/73/1197391673.db2.gz SMNGZJYWSWPSRF-QRVBRYPASA-N 2 1 394.560 0.792 20 0 GCADMP C[N@@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000194926473 1197400312 /nfs/dbraw/zinc/40/03/12/1197400312.db2.gz XKQOTLIEGITOMZ-CALCHBBNSA-N 2 1 385.512 0.787 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)C[C@H]2C1 ZINC000194926473 1197400313 /nfs/dbraw/zinc/40/03/13/1197400313.db2.gz XKQOTLIEGITOMZ-CALCHBBNSA-N 2 1 385.512 0.787 20 0 GCADMP C[NH+]1C[C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC[N@@H+](C)CC4)cc3)C[C@H]2C1 ZINC000194926473 1197400314 /nfs/dbraw/zinc/40/03/14/1197400314.db2.gz XKQOTLIEGITOMZ-CALCHBBNSA-N 2 1 385.512 0.787 20 0 GCADMP O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418906116 1197400704 /nfs/dbraw/zinc/40/07/04/1197400704.db2.gz FJQHIMXKZXDZTQ-RBUKOAKNSA-N 2 1 386.496 0.203 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH+](C3CCOCC3)CC2)CC1=O ZINC000245419406 1197403732 /nfs/dbraw/zinc/40/37/32/1197403732.db2.gz LTTJHGRXCMCNAA-PKOBYXMFSA-N 2 1 392.544 0.642 20 0 GCADMP CC(C)N(CCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)S(C)(=O)=O ZINC000245562308 1197411095 /nfs/dbraw/zinc/41/10/95/1197411095.db2.gz CMUXRPBQIJHKMK-IAGOWNOFSA-N 2 1 399.561 0.942 20 0 GCADMP CC(C)N(CCCNC(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1)S(C)(=O)=O ZINC000245562308 1197411096 /nfs/dbraw/zinc/41/10/96/1197411096.db2.gz CMUXRPBQIJHKMK-IAGOWNOFSA-N 2 1 399.561 0.942 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C)NC(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC000897499534 1197413844 /nfs/dbraw/zinc/41/38/44/1197413844.db2.gz IULKDRSJKDDPHJ-JYJNAYRXSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897499534 1197413846 /nfs/dbraw/zinc/41/38/46/1197413846.db2.gz IULKDRSJKDDPHJ-JYJNAYRXSA-N 2 1 382.549 0.979 20 0 GCADMP COC[C@H](CNC(=O)[C@@H]1CC[NH+]1C(C)(C)C)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897499534 1197413847 /nfs/dbraw/zinc/41/38/47/1197413847.db2.gz IULKDRSJKDDPHJ-JYJNAYRXSA-N 2 1 382.549 0.979 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000245915103 1197438565 /nfs/dbraw/zinc/43/85/65/1197438565.db2.gz RTEKGVJGLBGTNU-RBUKOAKNSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000245915103 1197438568 /nfs/dbraw/zinc/43/85/68/1197438568.db2.gz RTEKGVJGLBGTNU-RBUKOAKNSA-N 2 1 376.501 0.643 20 0 GCADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)CN3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000245931301 1197439939 /nfs/dbraw/zinc/43/99/39/1197439939.db2.gz QIVBQIDDXNYGNJ-DLBZAZTESA-N 2 1 386.496 0.355 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246348494 1197465305 /nfs/dbraw/zinc/46/53/05/1197465305.db2.gz NETSNISCKKXGPE-FGTMMUONSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246348504 1197465374 /nfs/dbraw/zinc/46/53/74/1197465374.db2.gz NETSNISCKKXGPE-OKZBNKHCSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nc(C)nn2C1 ZINC000246371425 1197466314 /nfs/dbraw/zinc/46/63/14/1197466314.db2.gz QHEUWLYIUUYCCV-IRXDYDNUSA-N 2 1 377.537 0.959 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ccco1 ZINC000246932650 1197475242 /nfs/dbraw/zinc/47/52/42/1197475242.db2.gz GPIFSTKWMZOHRI-HZPDHXFCSA-N 2 1 377.489 0.830 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccco1 ZINC000246932650 1197475244 /nfs/dbraw/zinc/47/52/44/1197475244.db2.gz GPIFSTKWMZOHRI-HZPDHXFCSA-N 2 1 377.489 0.830 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)CN2CCOCC2)CC1=O ZINC000247244257 1197475525 /nfs/dbraw/zinc/47/55/25/1197475525.db2.gz ZKKLPKUVPWBHND-RCCFBDPRSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000247244257 1197475527 /nfs/dbraw/zinc/47/55/27/1197475527.db2.gz ZKKLPKUVPWBHND-RCCFBDPRSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC[C@H](C)C[NH+]2CCOCC2)CC1=O ZINC000247244257 1197475528 /nfs/dbraw/zinc/47/55/28/1197475528.db2.gz ZKKLPKUVPWBHND-RCCFBDPRSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000249296691 1197482587 /nfs/dbraw/zinc/48/25/87/1197482587.db2.gz MPAFHPKTAPXSLA-CEXWTWQISA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000249296691 1197482588 /nfs/dbraw/zinc/48/25/88/1197482588.db2.gz MPAFHPKTAPXSLA-CEXWTWQISA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000249296691 1197482591 /nfs/dbraw/zinc/48/25/91/1197482591.db2.gz MPAFHPKTAPXSLA-CEXWTWQISA-N 2 1 393.576 0.461 20 0 GCADMP C[NH+]1CCCC[C@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000614909696 1197486667 /nfs/dbraw/zinc/48/66/67/1197486667.db2.gz WFRHVHUKHFJNEZ-ROUUACIJSA-N 2 1 379.549 0.215 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261758425 1197513521 /nfs/dbraw/zinc/51/35/21/1197513521.db2.gz FUMRJTYVAJNQHU-AEFFLSMTSA-N 3 1 379.549 0.167 20 0 GCADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261758425 1197513525 /nfs/dbraw/zinc/51/35/25/1197513525.db2.gz FUMRJTYVAJNQHU-AEFFLSMTSA-N 2 1 379.549 0.167 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261772718 1197514085 /nfs/dbraw/zinc/51/40/85/1197514085.db2.gz GUPGYPCRZVSGEV-FUHWJXTLSA-N 2 1 394.541 0.545 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261772718 1197514088 /nfs/dbraw/zinc/51/40/88/1197514088.db2.gz GUPGYPCRZVSGEV-FUHWJXTLSA-N 2 1 394.541 0.545 20 0 GCADMP COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261789490 1197514461 /nfs/dbraw/zinc/51/44/61/1197514461.db2.gz HYTLMQZWKMEWNN-PKOBYXMFSA-N 2 1 388.512 0.892 20 0 GCADMP CCN1CC[NH+](CCC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261873032 1197517136 /nfs/dbraw/zinc/51/71/36/1197517136.db2.gz OICYGGKGUZHAQH-MSOLQXFVSA-N 2 1 379.549 0.121 20 0 GCADMP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261928373 1197519208 /nfs/dbraw/zinc/51/92/08/1197519208.db2.gz VWYUXHBWTQEUNF-SJLPKXTDSA-N 2 1 388.512 0.892 20 0 GCADMP COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261928373 1197519211 /nfs/dbraw/zinc/51/92/11/1197519211.db2.gz VWYUXHBWTQEUNF-SJLPKXTDSA-N 2 1 388.512 0.892 20 0 GCADMP Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261964802 1197521138 /nfs/dbraw/zinc/52/11/38/1197521138.db2.gz AYBOXXGCGKSZLM-SFHVURJKSA-N 2 1 388.512 0.728 20 0 GCADMP COc1cccc(C(=O)N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1OC ZINC000262135432 1197525832 /nfs/dbraw/zinc/52/58/32/1197525832.db2.gz OIEFQRCBISLHEV-UHFFFAOYSA-N 2 1 390.484 0.284 20 0 GCADMP O=C(CC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)N1CC[NH2+]CC1 ZINC000262202220 1197528812 /nfs/dbraw/zinc/52/88/12/1197528812.db2.gz SJJGVJCMYITOJN-LJQANCHMSA-N 2 1 385.512 0.231 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)c2cnccc2N(C)C)CCN1C(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC000989067332 1197545263 /nfs/dbraw/zinc/54/52/63/1197545263.db2.gz XGTRPTGKKMGNDI-AHEZYBDSSA-N 2 1 389.500 0.586 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428634207 1197558482 /nfs/dbraw/zinc/55/84/82/1197558482.db2.gz ZJVVEDMHWRSJDE-HCXYKTFWSA-N 2 1 394.560 0.791 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000428634207 1197558485 /nfs/dbraw/zinc/55/84/85/1197558485.db2.gz ZJVVEDMHWRSJDE-HCXYKTFWSA-N 2 1 394.560 0.791 20 0 GCADMP Cc1nccn1CCCCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000508737093 1197567744 /nfs/dbraw/zinc/56/77/44/1197567744.db2.gz NKNSGIJRRUPJPK-UHFFFAOYSA-N 2 1 379.505 0.393 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000508737093 1197567748 /nfs/dbraw/zinc/56/77/48/1197567748.db2.gz NKNSGIJRRUPJPK-UHFFFAOYSA-N 2 1 379.505 0.393 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000508737093 1197567752 /nfs/dbraw/zinc/56/77/52/1197567752.db2.gz NKNSGIJRRUPJPK-UHFFFAOYSA-N 2 1 379.505 0.393 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009473 1199001425 /nfs/dbraw/zinc/00/14/25/1199001425.db2.gz IDOUWYAVLRHBQL-NVXWUHKLSA-N 3 1 379.549 0.118 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009473 1199001435 /nfs/dbraw/zinc/00/14/35/1199001435.db2.gz IDOUWYAVLRHBQL-NVXWUHKLSA-N 3 1 379.549 0.118 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009476 1199001646 /nfs/dbraw/zinc/00/16/46/1199001646.db2.gz IDOUWYAVLRHBQL-WBVHZDCISA-N 3 1 379.549 0.118 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672009476 1199001651 /nfs/dbraw/zinc/00/16/51/1199001651.db2.gz IDOUWYAVLRHBQL-WBVHZDCISA-N 3 1 379.549 0.118 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000265727840 1199059908 /nfs/dbraw/zinc/05/99/08/1199059908.db2.gz ASECQZWIMICVSU-UHFFFAOYSA-N 2 1 394.516 0.958 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)C1 ZINC000656028634 1199065682 /nfs/dbraw/zinc/06/56/82/1199065682.db2.gz NZTBEZPTMQTUSI-FQBWVUSXSA-N 2 1 392.544 0.864 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCS(=O)(=O)NC(C)C ZINC000465817435 1199074367 /nfs/dbraw/zinc/07/43/67/1199074367.db2.gz SQHPNSHIXIGMTG-MRXNPFEDSA-N 2 1 391.582 0.372 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C[NH+]1CCN(C)CC1 ZINC000465828590 1199077938 /nfs/dbraw/zinc/07/79/38/1199077938.db2.gz CCCJTLYMABQQMA-MSOLQXFVSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828590 1199077941 /nfs/dbraw/zinc/07/79/41/1199077941.db2.gz CCCJTLYMABQQMA-MSOLQXFVSA-N 2 1 396.580 0.112 20 0 GCADMP C[C@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)CN1CC[NH+](C)CC1 ZINC000465828590 1199077947 /nfs/dbraw/zinc/07/79/47/1199077947.db2.gz CCCJTLYMABQQMA-MSOLQXFVSA-N 2 1 396.580 0.112 20 0 GCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626946648 1199082520 /nfs/dbraw/zinc/08/25/20/1199082520.db2.gz VLKAOTOIMJQADE-OAHLLOKOSA-N 2 1 375.502 0.732 20 0 GCADMP O=C(NCC[N@H+]1CCc2sccc2C1)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626946648 1199082524 /nfs/dbraw/zinc/08/25/24/1199082524.db2.gz VLKAOTOIMJQADE-OAHLLOKOSA-N 2 1 375.502 0.732 20 0 GCADMP C[N@@H+](CCCCNC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000627307725 1199156901 /nfs/dbraw/zinc/15/69/01/1199156901.db2.gz VDNGRXRDFPMTOU-OCCSQVGLSA-N 2 1 378.439 0.963 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206936 1199160131 /nfs/dbraw/zinc/16/01/31/1199160131.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206936 1199160132 /nfs/dbraw/zinc/16/01/32/1199160132.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206936 1199160134 /nfs/dbraw/zinc/16/01/34/1199160134.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206936 1199160137 /nfs/dbraw/zinc/16/01/37/1199160137.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 2 1 379.549 0.212 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206936 1199160138 /nfs/dbraw/zinc/16/01/38/1199160138.db2.gz AXCOYTODSOXOQE-QAPCUYQASA-N 3 1 379.549 0.212 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672304468 1199196646 /nfs/dbraw/zinc/19/66/46/1199196646.db2.gz VFJDZXSTRAAJPC-QGZVFWFLSA-N 2 1 378.517 0.348 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CCN1CCOC ZINC000672304132 1199198061 /nfs/dbraw/zinc/19/80/61/1199198061.db2.gz IRNIIYXTCSGAJJ-QZTJIDSGSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@@H+]1CCOC ZINC000672304132 1199198065 /nfs/dbraw/zinc/19/80/65/1199198065.db2.gz IRNIIYXTCSGAJJ-QZTJIDSGSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@H+]1CCOC ZINC000672304132 1199198069 /nfs/dbraw/zinc/19/80/69/1199198069.db2.gz IRNIIYXTCSGAJJ-QZTJIDSGSA-N 2 1 380.533 0.546 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC[NH+]1CCOC ZINC000672304132 1199198076 /nfs/dbraw/zinc/19/80/76/1199198076.db2.gz IRNIIYXTCSGAJJ-QZTJIDSGSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308248 1199199609 /nfs/dbraw/zinc/19/96/09/1199199609.db2.gz GUEAROHMCOHYET-FPAYPSAMSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000672308248 1199199610 /nfs/dbraw/zinc/19/96/10/1199199610.db2.gz GUEAROHMCOHYET-FPAYPSAMSA-N 2 1 392.544 0.687 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306459 1199200484 /nfs/dbraw/zinc/20/04/84/1199200484.db2.gz JSFVXAQRZQAFEX-GOSISDBHSA-N 2 1 376.476 0.974 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306459 1199200489 /nfs/dbraw/zinc/20/04/89/1199200489.db2.gz JSFVXAQRZQAFEX-GOSISDBHSA-N 2 1 376.476 0.974 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)Cc1ccc(F)cc1 ZINC000672306459 1199200495 /nfs/dbraw/zinc/20/04/95/1199200495.db2.gz JSFVXAQRZQAFEX-GOSISDBHSA-N 2 1 376.476 0.974 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1CCN(S(C)(=O)=O)CC1 ZINC000499518038 1199203307 /nfs/dbraw/zinc/20/33/07/1199203307.db2.gz GNIXDDFATFMGNK-QGZVFWFLSA-N 2 1 388.578 0.533 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358016 1199215202 /nfs/dbraw/zinc/21/52/02/1199215202.db2.gz NXFNFBGSGSEDGV-MOPGFXCFSA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000672358016 1199215208 /nfs/dbraw/zinc/21/52/08/1199215208.db2.gz NXFNFBGSGSEDGV-MOPGFXCFSA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000672358016 1199215211 /nfs/dbraw/zinc/21/52/11/1199215211.db2.gz NXFNFBGSGSEDGV-MOPGFXCFSA-N 2 1 388.512 0.556 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000465949041 1199216900 /nfs/dbraw/zinc/21/69/00/1199216900.db2.gz MMTBYZIKMJUUKH-SJORKVTESA-N 2 1 383.537 0.326 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCc2ccc(C)nc2N2CCCC2)C1 ZINC000672358615 1199218469 /nfs/dbraw/zinc/21/84/69/1199218469.db2.gz IVXZHPZWAFRJMU-QGZVFWFLSA-N 2 1 389.500 0.443 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000465956325 1199224271 /nfs/dbraw/zinc/22/42/71/1199224271.db2.gz XMFBEFSEORYKIR-MRXNPFEDSA-N 2 1 383.537 0.326 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000672470638 1199241965 /nfs/dbraw/zinc/24/19/65/1199241965.db2.gz RMUDHAUDCOIUGC-FUHWJXTLSA-N 2 1 386.537 0.474 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000672470638 1199241974 /nfs/dbraw/zinc/24/19/74/1199241974.db2.gz RMUDHAUDCOIUGC-FUHWJXTLSA-N 2 1 386.537 0.474 20 0 GCADMP Cc1nc(C)c(CCNC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000672487543 1199245179 /nfs/dbraw/zinc/24/51/79/1199245179.db2.gz OCBRIFKJRRCKFB-HNNXBMFYSA-N 2 1 393.557 0.703 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC[N@H+]1C ZINC000672593336 1199276383 /nfs/dbraw/zinc/27/63/83/1199276383.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000672593336 1199276385 /nfs/dbraw/zinc/27/63/85/1199276385.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@H+]1C ZINC000672593336 1199276390 /nfs/dbraw/zinc/27/63/90/1199276390.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593336 1199276393 /nfs/dbraw/zinc/27/63/93/1199276393.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CC[NH+]1C ZINC000672593336 1199276398 /nfs/dbraw/zinc/27/63/98/1199276398.db2.gz OLTOPHNUNIJRCC-RYRKJORJSA-N 2 1 379.549 0.212 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638511 1199289207 /nfs/dbraw/zinc/28/92/07/1199289207.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638511 1199289212 /nfs/dbraw/zinc/28/92/12/1199289212.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638511 1199289213 /nfs/dbraw/zinc/28/92/13/1199289213.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672638511 1199289218 /nfs/dbraw/zinc/28/92/18/1199289218.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672638511 1199289222 /nfs/dbraw/zinc/28/92/22/1199289222.db2.gz RSZYUZFWXQIQSV-QZTJIDSGSA-N 2 1 393.576 0.365 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637334 1199289519 /nfs/dbraw/zinc/28/95/19/1199289519.db2.gz FAHJCBXESLGMID-QGZVFWFLSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCCC34CC[NH+](C)CC4)C2)CC1 ZINC000672637334 1199289523 /nfs/dbraw/zinc/28/95/23/1199289523.db2.gz FAHJCBXESLGMID-QGZVFWFLSA-N 2 1 391.560 0.358 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640420 1199293517 /nfs/dbraw/zinc/29/35/17/1199293517.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640420 1199293524 /nfs/dbraw/zinc/29/35/24/1199293524.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000672640420 1199293528 /nfs/dbraw/zinc/29/35/28/1199293528.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000672640420 1199293534 /nfs/dbraw/zinc/29/35/34/1199293534.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 2 1 377.533 0.038 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1=CC[N@@H+](C)CC1 ZINC000672640420 1199293539 /nfs/dbraw/zinc/29/35/39/1199293539.db2.gz DSHBYTKSWRQXOM-WBVHZDCISA-N 2 1 377.533 0.038 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640474 1199294107 /nfs/dbraw/zinc/29/41/07/1199294107.db2.gz JHTSYPCHRHCLDP-SFHVURJKSA-N 2 1 395.592 0.852 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640474 1199294110 /nfs/dbraw/zinc/29/41/10/1199294110.db2.gz JHTSYPCHRHCLDP-SFHVURJKSA-N 2 1 395.592 0.852 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672642479 1199300233 /nfs/dbraw/zinc/30/02/33/1199300233.db2.gz BMQDISWDHHQYCN-DLBZAZTESA-N 2 1 379.549 0.260 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672642479 1199300236 /nfs/dbraw/zinc/30/02/36/1199300236.db2.gz BMQDISWDHHQYCN-DLBZAZTESA-N 2 1 379.549 0.260 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672642504 1199300340 /nfs/dbraw/zinc/30/03/40/1199300340.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642504 1199300344 /nfs/dbraw/zinc/30/03/44/1199300344.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672642504 1199300349 /nfs/dbraw/zinc/30/03/49/1199300349.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672642504 1199300359 /nfs/dbraw/zinc/30/03/59/1199300359.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 2 1 379.549 0.070 20 0 GCADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672642504 1199300364 /nfs/dbraw/zinc/30/03/64/1199300364.db2.gz MSCRGSLXOQOOLT-RYRKJORJSA-N 2 1 379.549 0.070 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302243 /nfs/dbraw/zinc/30/22/43/1199302243.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302250 /nfs/dbraw/zinc/30/22/50/1199302250.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302254 /nfs/dbraw/zinc/30/22/54/1199302254.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302257 /nfs/dbraw/zinc/30/22/57/1199302257.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 2 1 393.576 0.602 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[C@@H]1C ZINC000672643215 1199302260 /nfs/dbraw/zinc/30/22/60/1199302260.db2.gz UWSKIVAZRVJUEF-SCTDSRPQSA-N 2 1 393.576 0.602 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641799 1199303168 /nfs/dbraw/zinc/30/31/68/1199303168.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641799 1199303174 /nfs/dbraw/zinc/30/31/74/1199303174.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641799 1199303176 /nfs/dbraw/zinc/30/31/76/1199303176.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672641799 1199303182 /nfs/dbraw/zinc/30/31/82/1199303182.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672641799 1199303185 /nfs/dbraw/zinc/30/31/85/1199303185.db2.gz XKQLQOFDQNIGIG-IRXDYDNUSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641630 1199303626 /nfs/dbraw/zinc/30/36/26/1199303626.db2.gz VAKNNIAAJMWZEE-MRXNPFEDSA-N 2 1 379.549 0.214 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641630 1199303629 /nfs/dbraw/zinc/30/36/29/1199303629.db2.gz VAKNNIAAJMWZEE-MRXNPFEDSA-N 2 1 379.549 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643051 1199304765 /nfs/dbraw/zinc/30/47/65/1199304765.db2.gz NNLLWSQBRZWBBZ-IEBWSBKVSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)C2)CC1 ZINC000672643051 1199304770 /nfs/dbraw/zinc/30/47/70/1199304770.db2.gz NNLLWSQBRZWBBZ-IEBWSBKVSA-N 2 1 391.560 0.358 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000672695643 1199316149 /nfs/dbraw/zinc/31/61/49/1199316149.db2.gz GUMKCRRENTYLFX-KRWDZBQOSA-N 2 1 381.565 0.461 20 0 GCADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000672695643 1199316151 /nfs/dbraw/zinc/31/61/51/1199316151.db2.gz GUMKCRRENTYLFX-KRWDZBQOSA-N 2 1 381.565 0.461 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672731626 1199323805 /nfs/dbraw/zinc/32/38/05/1199323805.db2.gz UVNSLQUPQAWIDD-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCO1 ZINC000672731626 1199323806 /nfs/dbraw/zinc/32/38/06/1199323806.db2.gz UVNSLQUPQAWIDD-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@H+](C)CCO1 ZINC000672731626 1199323807 /nfs/dbraw/zinc/32/38/07/1199323807.db2.gz UVNSLQUPQAWIDD-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1C[N@@H+](C)CCO1 ZINC000672731626 1199323812 /nfs/dbraw/zinc/32/38/12/1199323812.db2.gz UVNSLQUPQAWIDD-YTQUADARSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)CN1CC[NH+](C)CC1 ZINC000265807904 1199324478 /nfs/dbraw/zinc/32/44/78/1199324478.db2.gz KXZQQYQLMYLDPI-INIZCTEOSA-N 2 1 375.517 0.686 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672815282 1199343106 /nfs/dbraw/zinc/34/31/06/1199343106.db2.gz ZBCQWAJPDSSRJB-INIZCTEOSA-N 2 1 383.537 0.027 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672815282 1199343110 /nfs/dbraw/zinc/34/31/10/1199343110.db2.gz ZBCQWAJPDSSRJB-INIZCTEOSA-N 2 1 383.537 0.027 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000672815282 1199343117 /nfs/dbraw/zinc/34/31/17/1199343117.db2.gz ZBCQWAJPDSSRJB-INIZCTEOSA-N 2 1 383.537 0.027 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672856062 1199349301 /nfs/dbraw/zinc/34/93/01/1199349301.db2.gz LHNHJEJYADXVKN-RYQLBKOJSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1C[NH+](C)CCO1 ZINC000672856062 1199349308 /nfs/dbraw/zinc/34/93/08/1199349308.db2.gz LHNHJEJYADXVKN-RYQLBKOJSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1C[N@H+](C)CCO1 ZINC000672856062 1199349317 /nfs/dbraw/zinc/34/93/17/1199349317.db2.gz LHNHJEJYADXVKN-RYQLBKOJSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1C[N@@H+](C)CCO1 ZINC000672856062 1199349325 /nfs/dbraw/zinc/34/93/25/1199349325.db2.gz LHNHJEJYADXVKN-RYQLBKOJSA-N 2 1 380.533 0.735 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672980081 1199385035 /nfs/dbraw/zinc/38/50/35/1199385035.db2.gz PURACGKRXULBJP-QGZVFWFLSA-N 2 1 379.549 0.214 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672980081 1199385040 /nfs/dbraw/zinc/38/50/40/1199385040.db2.gz PURACGKRXULBJP-QGZVFWFLSA-N 2 1 379.549 0.214 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@H]4CCOC4)CC3)CC[C@H]21 ZINC000673014780 1199394500 /nfs/dbraw/zinc/39/45/00/1199394500.db2.gz XMEOERWNPKVOJY-ZHALLVOQSA-N 2 1 392.544 0.546 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+](C[C@@H]4CCOC4)CC3)CC[C@H]21 ZINC000673014779 1199394850 /nfs/dbraw/zinc/39/48/50/1199394850.db2.gz XMEOERWNPKVOJY-YQVWRLOYSA-N 2 1 392.544 0.546 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001003149881 1199435397 /nfs/dbraw/zinc/43/53/97/1199435397.db2.gz DUZZAPATGOJIQI-ZKXLYKBJSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001003149881 1199435399 /nfs/dbraw/zinc/43/53/99/1199435399.db2.gz DUZZAPATGOJIQI-ZKXLYKBJSA-N 2 1 378.517 0.297 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423116907 1199464840 /nfs/dbraw/zinc/46/48/40/1199464840.db2.gz SAIABDZTJQAVPT-LJQANCHMSA-N 2 1 376.526 0.789 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000673224376 1199487788 /nfs/dbraw/zinc/48/77/88/1199487788.db2.gz KUIOLHBKOVWEEO-IRXDYDNUSA-N 2 1 381.565 0.317 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000466147495 1199495964 /nfs/dbraw/zinc/49/59/64/1199495964.db2.gz SPBOJRFUBSMJKT-UXHICEINSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000466147495 1199495968 /nfs/dbraw/zinc/49/59/68/1199495968.db2.gz SPBOJRFUBSMJKT-UXHICEINSA-N 3 1 396.624 0.927 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)CN1CC[NH+](C)CC1 ZINC000466147495 1199495971 /nfs/dbraw/zinc/49/59/71/1199495971.db2.gz SPBOJRFUBSMJKT-UXHICEINSA-N 3 1 396.624 0.927 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000673275077 1199511916 /nfs/dbraw/zinc/51/19/16/1199511916.db2.gz IQLLQDYZELAAOH-INIZCTEOSA-N 2 1 382.549 0.528 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000673275077 1199511922 /nfs/dbraw/zinc/51/19/22/1199511922.db2.gz IQLLQDYZELAAOH-INIZCTEOSA-N 2 1 382.549 0.528 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000673270091 1199512841 /nfs/dbraw/zinc/51/28/41/1199512841.db2.gz CCTXVRZOEIFEFQ-KRWDZBQOSA-N 2 1 384.565 0.915 20 0 GCADMP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000673270091 1199512847 /nfs/dbraw/zinc/51/28/47/1199512847.db2.gz CCTXVRZOEIFEFQ-KRWDZBQOSA-N 2 1 384.565 0.915 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673293078 1199523153 /nfs/dbraw/zinc/52/31/53/1199523153.db2.gz VJAKPVVHZQYEKA-QZTJIDSGSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673293078 1199523159 /nfs/dbraw/zinc/52/31/59/1199523159.db2.gz VJAKPVVHZQYEKA-QZTJIDSGSA-N 2 1 394.560 0.984 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000079615532 1199527739 /nfs/dbraw/zinc/52/77/39/1199527739.db2.gz FHNKSPNMAQNKFN-UHFFFAOYSA-N 2 1 379.505 0.872 20 0 GCADMP C[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000265832966 1199556127 /nfs/dbraw/zinc/55/61/27/1199556127.db2.gz FEVCNAFQXMPHNM-GOSISDBHSA-N 2 1 389.544 0.953 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000673427468 1199632466 /nfs/dbraw/zinc/63/24/66/1199632466.db2.gz MAPSKEOPGGXDJA-QGZVFWFLSA-N 2 1 389.500 0.347 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1C[N@H+](C)CCO1 ZINC000673446848 1199663766 /nfs/dbraw/zinc/66/37/66/1199663766.db2.gz OTAGSPBXZURLPT-UIBIWLFHSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673446848 1199663768 /nfs/dbraw/zinc/66/37/68/1199663768.db2.gz OTAGSPBXZURLPT-UIBIWLFHSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673446848 1199663770 /nfs/dbraw/zinc/66/37/70/1199663770.db2.gz OTAGSPBXZURLPT-UIBIWLFHSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@H]1C[NH+](C)CCO1 ZINC000673446848 1199663773 /nfs/dbraw/zinc/66/37/73/1199663773.db2.gz OTAGSPBXZURLPT-UIBIWLFHSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673446845 1199663808 /nfs/dbraw/zinc/66/38/08/1199663808.db2.gz OTAGSPBXZURLPT-DFGXFYAUSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673446845 1199663810 /nfs/dbraw/zinc/66/38/10/1199663810.db2.gz OTAGSPBXZURLPT-DFGXFYAUSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673446845 1199663813 /nfs/dbraw/zinc/66/38/13/1199663813.db2.gz OTAGSPBXZURLPT-DFGXFYAUSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673446845 1199663816 /nfs/dbraw/zinc/66/38/16/1199663816.db2.gz OTAGSPBXZURLPT-DFGXFYAUSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000673446532 1199664534 /nfs/dbraw/zinc/66/45/34/1199664534.db2.gz CSWHPQLQJDPPCX-JKSUJKDBSA-N 2 1 382.574 0.921 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC[NH+]1CCSCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446532 1199664535 /nfs/dbraw/zinc/66/45/35/1199664535.db2.gz CSWHPQLQJDPPCX-JKSUJKDBSA-N 2 1 382.574 0.921 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001003807321 1199675748 /nfs/dbraw/zinc/67/57/48/1199675748.db2.gz BHNUCVGFTJPTCC-SMKXDYDZSA-N 2 1 375.473 0.550 20 0 GCADMP C[NH+](C)Cc1cc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001003807321 1199675757 /nfs/dbraw/zinc/67/57/57/1199675757.db2.gz BHNUCVGFTJPTCC-SMKXDYDZSA-N 2 1 375.473 0.550 20 0 GCADMP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000922342824 1199735502 /nfs/dbraw/zinc/73/55/02/1199735502.db2.gz IQCVJPHNUDKDDA-HXUWFJFHSA-N 2 1 395.592 0.315 20 0 GCADMP COCC[N@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248521 1199760161 /nfs/dbraw/zinc/76/01/61/1199760161.db2.gz LTEIUGGOAWNEFR-FGTMMUONSA-N 2 1 380.533 0.498 20 0 GCADMP COCC[N@@H+]1[C@H](C)CN(C(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C[C@@H]1C ZINC000843248521 1199760164 /nfs/dbraw/zinc/76/01/64/1199760164.db2.gz LTEIUGGOAWNEFR-FGTMMUONSA-N 2 1 380.533 0.498 20 0 GCADMP COCCN1CCN(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC1 ZINC000261385792 1199777710 /nfs/dbraw/zinc/77/77/10/1199777710.db2.gz BPOGVYZEMVLWMS-FQEVSTJZSA-N 2 1 389.544 0.949 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000673583591 1199829457 /nfs/dbraw/zinc/82/94/57/1199829457.db2.gz GEOYONHTKDSQPP-QZTJIDSGSA-N 2 1 378.517 0.035 20 0 GCADMP Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000673584586 1199830752 /nfs/dbraw/zinc/83/07/52/1199830752.db2.gz VXSIENVEOLMGFX-ROUUACIJSA-N 2 1 391.516 0.534 20 0 GCADMP CC[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004400907 1199875795 /nfs/dbraw/zinc/87/57/95/1199875795.db2.gz SYMAGUWGAMRJGH-NCOADZHNSA-N 2 1 376.501 0.051 20 0 GCADMP CC[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C24CC[NH+](CC2)C4)C3)C1 ZINC001004400907 1199875798 /nfs/dbraw/zinc/87/57/98/1199875798.db2.gz SYMAGUWGAMRJGH-NCOADZHNSA-N 2 1 376.501 0.051 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625028855 1199891747 /nfs/dbraw/zinc/89/17/47/1199891747.db2.gz ZJQBOJQJBKTUMP-MRXNPFEDSA-N 2 1 397.545 0.941 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NS(C)(=O)=O)nc1 ZINC000625028855 1199891750 /nfs/dbraw/zinc/89/17/50/1199891750.db2.gz ZJQBOJQJBKTUMP-MRXNPFEDSA-N 2 1 397.545 0.941 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706985 1199931082 /nfs/dbraw/zinc/93/10/82/1199931082.db2.gz MHOBTCADXTYOBL-PMACEKPBSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000673706985 1199931086 /nfs/dbraw/zinc/93/10/86/1199931086.db2.gz MHOBTCADXTYOBL-PMACEKPBSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000673706985 1199931089 /nfs/dbraw/zinc/93/10/89/1199931089.db2.gz MHOBTCADXTYOBL-PMACEKPBSA-N 2 1 393.576 0.766 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000673872816 1199963499 /nfs/dbraw/zinc/96/34/99/1199963499.db2.gz LXKXYDDZXWFAKE-UHFFFAOYSA-N 2 1 390.488 0.179 20 0 GCADMP CCC1([NH+]2CCOCC2)CCN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)CC1 ZINC000625603983 1200081052 /nfs/dbraw/zinc/08/10/52/1200081052.db2.gz BORWXGUPTNXVFA-ROUUACIJSA-N 2 1 392.544 0.642 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030867 1200126985 /nfs/dbraw/zinc/12/69/85/1200126985.db2.gz OVSUTRGKBURVAI-QYZOEREBSA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030867 1200126990 /nfs/dbraw/zinc/12/69/90/1200126990.db2.gz OVSUTRGKBURVAI-QYZOEREBSA-N 2 1 381.565 0.907 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@H]1C ZINC000674030867 1200126992 /nfs/dbraw/zinc/12/69/92/1200126992.db2.gz OVSUTRGKBURVAI-QYZOEREBSA-N 2 1 381.565 0.907 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@@H+]1CCO ZINC000658102307 1200293871 /nfs/dbraw/zinc/29/38/71/1200293871.db2.gz QOSNWGUPVDSYRF-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[N@H+]1CCO ZINC000658102307 1200293876 /nfs/dbraw/zinc/29/38/76/1200293876.db2.gz QOSNWGUPVDSYRF-UHFFFAOYSA-N 2 1 380.533 0.378 20 0 GCADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000429251590 1200402648 /nfs/dbraw/zinc/40/26/48/1200402648.db2.gz IOQGTBJLCODCGG-UHFFFAOYSA-N 2 1 392.548 0.390 20 0 GCADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000429251590 1200402655 /nfs/dbraw/zinc/40/26/55/1200402655.db2.gz IOQGTBJLCODCGG-UHFFFAOYSA-N 2 1 392.548 0.390 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000676169279 1200504710 /nfs/dbraw/zinc/50/47/10/1200504710.db2.gz VWAPCFMQQLFAHK-OTWHNJEPSA-N 2 1 380.533 0.870 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC000676279934 1200530731 /nfs/dbraw/zinc/53/07/31/1200530731.db2.gz RAJXBJOXSIUERC-GUYCJALGSA-N 2 1 378.473 0.531 20 0 GCADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC000676279934 1200530734 /nfs/dbraw/zinc/53/07/34/1200530734.db2.gz RAJXBJOXSIUERC-GUYCJALGSA-N 2 1 378.473 0.531 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000676359225 1200551440 /nfs/dbraw/zinc/55/14/40/1200551440.db2.gz MDYWVFAPOSCFAA-PKOBYXMFSA-N 2 1 381.565 0.906 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000676359225 1200551444 /nfs/dbraw/zinc/55/14/44/1200551444.db2.gz MDYWVFAPOSCFAA-PKOBYXMFSA-N 2 1 381.565 0.906 20 0 GCADMP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000377034706 1200640757 /nfs/dbraw/zinc/64/07/57/1200640757.db2.gz XIKXIPDEKFFQKY-SJLPKXTDSA-N 2 1 398.511 1.162 20 0 GCADMP CN(C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccn(CC[NH+](C)C)n1)C2 ZINC000376832248 1200641994 /nfs/dbraw/zinc/64/19/94/1200641994.db2.gz UXFDQFJEONURTF-MQVJKMGUSA-N 2 1 391.520 0.650 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000373250199 1200660568 /nfs/dbraw/zinc/66/05/68/1200660568.db2.gz OCWFFECNJKLDDQ-INIZCTEOSA-N 2 1 390.532 1.421 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)n2)CC1 ZINC000408369647 1200673023 /nfs/dbraw/zinc/67/30/23/1200673023.db2.gz ACPQUENOXUVGAX-RDJZCZTQSA-N 2 1 388.516 1.031 20 0 GCADMP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000477030004 1200789142 /nfs/dbraw/zinc/78/91/42/1200789142.db2.gz UYENIWNXRGVVLJ-QFBILLFUSA-N 2 1 390.528 0.716 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365937115 1200844052 /nfs/dbraw/zinc/84/40/52/1200844052.db2.gz PENVHHTUKWZMRD-INIZCTEOSA-N 2 1 390.532 1.279 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365937117 1200845352 /nfs/dbraw/zinc/84/53/52/1200845352.db2.gz PENVHHTUKWZMRD-MRXNPFEDSA-N 2 1 390.532 1.279 20 0 GCADMP Cc1ccc(NCCCNC(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])[nH+]c1 ZINC000578652005 1200938384 /nfs/dbraw/zinc/93/83/84/1200938384.db2.gz ULBVHLVKQLBFHI-SFHVURJKSA-N 2 1 381.480 1.393 20 0 GCADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000923376902 1200972719 /nfs/dbraw/zinc/97/27/19/1200972719.db2.gz DVWGXLVREUJAMY-GUDVDZBRSA-N 2 1 388.512 0.955 20 0 GCADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000923486772 1201036910 /nfs/dbraw/zinc/03/69/10/1201036910.db2.gz JRASOHMDHDWIHU-QGZVFWFLSA-N 2 1 394.541 0.331 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365940569 1201053017 /nfs/dbraw/zinc/05/30/17/1201053017.db2.gz IXMPEOHKJZOSFG-CVEARBPZSA-N 2 1 390.532 1.325 20 0 GCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448508389 1201070904 /nfs/dbraw/zinc/07/09/04/1201070904.db2.gz SAUCPZWZYGMITF-FUHWJXTLSA-N 2 1 398.511 1.335 20 0 GCADMP COc1ccc([C@@H](CNS(=O)(=O)N2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000923577897 1201151282 /nfs/dbraw/zinc/15/12/82/1201151282.db2.gz AIVJOMCYICXWKM-GOSISDBHSA-N 2 1 382.530 0.962 20 0 GCADMP C[NH+]1CC[C@H]2OCCN(CCCCCN3CCO[C@H]4CC[N@H+](C)C[C@@H]43)[C@@H]2C1 ZINC000497128339 1201194422 /nfs/dbraw/zinc/19/44/22/1201194422.db2.gz ZWVOEZNWWTTWQR-FXELSEDVSA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@H+](C)C[C@H]43)[C@H]2C1 ZINC000497128339 1201194426 /nfs/dbraw/zinc/19/44/26/1201194426.db2.gz ZWVOEZNWWTTWQR-FXELSEDVSA-N 2 1 380.577 0.967 20 0 GCADMP C[NH+]1CC[C@@H]2OCCN(CCCCCN3CCO[C@@H]4CC[N@@H+](C)C[C@H]43)[C@H]2C1 ZINC000497128339 1201194428 /nfs/dbraw/zinc/19/44/28/1201194428.db2.gz ZWVOEZNWWTTWQR-FXELSEDVSA-N 2 1 380.577 0.967 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCc3cnn(CC)c3)C[C@H]2OC)CC[N@H+]1C ZINC001081699355 1201301460 /nfs/dbraw/zinc/30/14/60/1201301460.db2.gz RLGRRBYVXNABLN-WJFTUGDTSA-N 2 1 377.533 0.991 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCc3cnn(CC)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699355 1201301473 /nfs/dbraw/zinc/30/14/73/1201301473.db2.gz RLGRRBYVXNABLN-WJFTUGDTSA-N 2 1 377.533 0.991 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCc3cnn(CC)c3)C[C@H]2OC)CC[NH+]1C ZINC001081699355 1201301481 /nfs/dbraw/zinc/30/14/81/1201301481.db2.gz RLGRRBYVXNABLN-WJFTUGDTSA-N 2 1 377.533 0.991 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000727076421 1201332873 /nfs/dbraw/zinc/33/28/73/1201332873.db2.gz HHLVSOJCMRHSTN-KRWDZBQOSA-N 2 1 385.622 0.692 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1CC(F)(F)F ZINC001082520480 1201337355 /nfs/dbraw/zinc/33/73/55/1201337355.db2.gz ZMTBAOPSOIPZIY-FDYHWXHSSA-N 2 1 389.426 0.512 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1CC(F)(F)F ZINC001082520480 1201337360 /nfs/dbraw/zinc/33/73/60/1201337360.db2.gz ZMTBAOPSOIPZIY-FDYHWXHSSA-N 2 1 389.426 0.512 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CCN3C(=O)NC(C)(C)C3=O)C2)CC[N@H+]1C ZINC001082521838 1201337808 /nfs/dbraw/zinc/33/78/08/1201337808.db2.gz BJRPYLZLWAAVQA-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082590448 1201339761 /nfs/dbraw/zinc/33/97/61/1201339761.db2.gz WWCTVZPLWJHRNQ-KLHDSHLOSA-N 2 1 393.536 0.126 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC001082590448 1201339766 /nfs/dbraw/zinc/33/97/66/1201339766.db2.gz WWCTVZPLWJHRNQ-KLHDSHLOSA-N 2 1 393.536 0.126 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cnn(C)c4)C[C@@H]32)CC[N@H+]1C ZINC001083087339 1201384040 /nfs/dbraw/zinc/38/40/40/1201384040.db2.gz DCWWQXWHSKJJOE-ZSYWTGECSA-N 2 1 375.517 0.605 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083087339 1201384047 /nfs/dbraw/zinc/38/40/47/1201384047.db2.gz DCWWQXWHSKJJOE-ZSYWTGECSA-N 2 1 375.517 0.605 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4cnn(C)c4)C[C@@H]32)CC[NH+]1C ZINC001083087339 1201384053 /nfs/dbraw/zinc/38/40/53/1201384053.db2.gz DCWWQXWHSKJJOE-ZSYWTGECSA-N 2 1 375.517 0.605 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]32)CC[N@@H+]1C ZINC001083087618 1201385602 /nfs/dbraw/zinc/38/56/02/1201385602.db2.gz UUSOVNPSMQNOQN-XWTMOSNGSA-N 2 1 378.517 0.251 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCN4CCCC4=O)C[C@@H]32)CC[N@H+]1C ZINC001083087618 1201385611 /nfs/dbraw/zinc/38/56/11/1201385611.db2.gz UUSOVNPSMQNOQN-XWTMOSNGSA-N 2 1 378.517 0.251 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCN4CCCC4=O)C[C@@H]32)CC[NH+]1C ZINC001083087618 1201385620 /nfs/dbraw/zinc/38/56/20/1201385620.db2.gz UUSOVNPSMQNOQN-XWTMOSNGSA-N 2 1 378.517 0.251 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCN4CCCC4=O)C[C@@H]32)CC[NH+]1C ZINC001083087618 1201385627 /nfs/dbraw/zinc/38/56/27/1201385627.db2.gz UUSOVNPSMQNOQN-XWTMOSNGSA-N 2 1 378.517 0.251 20 0 GCADMP Cc1cccc(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)n1 ZINC000287386714 1201400549 /nfs/dbraw/zinc/40/05/49/1201400549.db2.gz RCDKGNMLBMIEBO-UHFFFAOYSA-N 2 1 375.517 0.533 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)C[C@H](C)O1 ZINC000497513470 1201403980 /nfs/dbraw/zinc/40/39/80/1201403980.db2.gz ZPXIMOHDWURISN-VXPDMUIRSA-N 2 1 380.577 0.699 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[N@@H+]1C ZINC001084355093 1201409760 /nfs/dbraw/zinc/40/97/60/1201409760.db2.gz FGJMBHRKERJOLX-KLHDSHLOSA-N 2 1 391.516 0.190 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[NH+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[N@H+]1C ZINC001084355093 1201409767 /nfs/dbraw/zinc/40/97/67/1201409767.db2.gz FGJMBHRKERJOLX-KLHDSHLOSA-N 2 1 391.516 0.190 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@H+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[NH+]1C ZINC001084355093 1201409775 /nfs/dbraw/zinc/40/97/75/1201409775.db2.gz FGJMBHRKERJOLX-KLHDSHLOSA-N 2 1 391.516 0.190 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CC[N@@H+](CCN4C(=O)NC(C)(C)C4=O)C[C@H]32)CC[NH+]1C ZINC001084355093 1201409781 /nfs/dbraw/zinc/40/97/81/1201409781.db2.gz FGJMBHRKERJOLX-KLHDSHLOSA-N 2 1 391.516 0.190 20 0 GCADMP C[NH+]1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000731134803 1201473800 /nfs/dbraw/zinc/47/38/00/1201473800.db2.gz QYCYSCTVRUDTAK-QGZVFWFLSA-N 2 1 385.512 0.977 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000731502083 1201485519 /nfs/dbraw/zinc/48/55/19/1201485519.db2.gz GJQWYYJNXWFQCU-DLBZAZTESA-N 2 1 381.521 0.092 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[NH+](CC(=O)N4CCOCC4)[C@H]3C2)CC[N@H+]1C ZINC001084944868 1201502662 /nfs/dbraw/zinc/50/26/62/1201502662.db2.gz SWIMHIZOQYSIDJ-HCXYKTFWSA-N 2 1 392.544 0.498 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@H+](CC(=O)N4CCOCC4)[C@H]3C2)CC[NH+]1C ZINC001084944868 1201502670 /nfs/dbraw/zinc/50/26/70/1201502670.db2.gz SWIMHIZOQYSIDJ-HCXYKTFWSA-N 2 1 392.544 0.498 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[N@@H+](CC(=O)N4CCOCC4)[C@H]3C2)CC[NH+]1C ZINC001084944868 1201502678 /nfs/dbraw/zinc/50/26/78/1201502678.db2.gz SWIMHIZOQYSIDJ-HCXYKTFWSA-N 2 1 392.544 0.498 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734265578 1201647833 /nfs/dbraw/zinc/64/78/33/1201647833.db2.gz NRFGSDPAOCNCBS-KRWDZBQOSA-N 2 1 381.521 0.093 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734267887 1201648646 /nfs/dbraw/zinc/64/86/46/1201648646.db2.gz CYMAJYFOALKUHX-KRWDZBQOSA-N 2 1 381.521 0.139 20 0 GCADMP CN1CC[NH+](C(C)(C)CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000734268026 1201649003 /nfs/dbraw/zinc/64/90/03/1201649003.db2.gz UTALSJRHNKDBBD-GOSISDBHSA-N 2 1 381.565 0.955 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000737048673 1201719839 /nfs/dbraw/zinc/71/98/39/1201719839.db2.gz YAMNNUUYULCZEY-IBGZPJMESA-N 2 1 381.565 0.957 20 0 GCADMP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000737989667 1201732489 /nfs/dbraw/zinc/73/24/89/1201732489.db2.gz CHZUAKJLVFJKNX-UHFFFAOYSA-N 2 1 390.528 0.998 20 0 GCADMP C[NH+]1CC[C@@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000742567669 1201802039 /nfs/dbraw/zinc/80/20/39/1201802039.db2.gz SRKVBZFTOATQAP-TXEJJXNPSA-N 2 1 382.402 0.393 20 0 GCADMP C[NH+]1CC[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000742567669 1201802042 /nfs/dbraw/zinc/80/20/42/1201802042.db2.gz SRKVBZFTOATQAP-TXEJJXNPSA-N 2 1 382.402 0.393 20 0 GCADMP C[NH+]1CC[C@H](CNC(=O)C(F)(F)C(F)(F)C(=O)NC[C@@H]2CC[N@@H+](C)C2)C1 ZINC000742567669 1201802044 /nfs/dbraw/zinc/80/20/44/1201802044.db2.gz SRKVBZFTOATQAP-TXEJJXNPSA-N 2 1 382.402 0.393 20 0 GCADMP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001006287036 1201810493 /nfs/dbraw/zinc/81/04/93/1201810493.db2.gz NIEUSCGNZIHYON-MLHJIOFPSA-N 2 1 378.517 0.441 20 0 GCADMP C[C@H]1CCC[N@H+]1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001006287036 1201810496 /nfs/dbraw/zinc/81/04/96/1201810496.db2.gz NIEUSCGNZIHYON-MLHJIOFPSA-N 2 1 378.517 0.441 20 0 GCADMP CCC[C@H]1CN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC[N@H+]1CCOC ZINC000766377361 1201920892 /nfs/dbraw/zinc/92/08/92/1201920892.db2.gz AETHUIXVOBLXOW-INIZCTEOSA-N 2 1 381.521 0.393 20 0 GCADMP C[N@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1cc(=O)n3c(n1)C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169137643 1201933339 /nfs/dbraw/zinc/93/33/39/1201933339.db2.gz DZESUGJCJQUSTJ-MUJYYYPQSA-N 2 1 395.529 0.123 20 0 GCADMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](N(Cc1cc(=O)n3c(n1)C[NH2+]CCC3)S(C)(=O)=O)C2 ZINC001169137643 1201933340 /nfs/dbraw/zinc/93/33/40/1201933340.db2.gz DZESUGJCJQUSTJ-MUJYYYPQSA-N 2 1 395.529 0.123 20 0 GCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109360549 1202025125 /nfs/dbraw/zinc/02/51/25/1202025125.db2.gz ADQOZEONMWVSNL-UGUYLWEFSA-N 2 1 382.480 0.537 20 0 GCADMP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109360549 1202025126 /nfs/dbraw/zinc/02/51/26/1202025126.db2.gz ADQOZEONMWVSNL-UGUYLWEFSA-N 2 1 382.480 0.537 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C2 ZINC001109419574 1202042175 /nfs/dbraw/zinc/04/21/75/1202042175.db2.gz WEYRGGKVHKLWLS-RDGPPVDQSA-N 2 1 380.533 0.735 20 0 GCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419574 1202042177 /nfs/dbraw/zinc/04/21/77/1202042177.db2.gz WEYRGGKVHKLWLS-RDGPPVDQSA-N 2 1 380.533 0.735 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001109419574 1202042184 /nfs/dbraw/zinc/04/21/84/1202042184.db2.gz WEYRGGKVHKLWLS-RDGPPVDQSA-N 2 1 380.533 0.735 20 0 GCADMP CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)CN1CCCC1=O ZINC001109463917 1202057141 /nfs/dbraw/zinc/05/71/41/1202057141.db2.gz CRNHPOXQNWZOGN-NCOADZHNSA-N 2 1 380.533 0.422 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001109463917 1202057143 /nfs/dbraw/zinc/05/71/43/1202057143.db2.gz CRNHPOXQNWZOGN-NCOADZHNSA-N 2 1 380.533 0.422 20 0 GCADMP CC[NH+](C)C(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)CN1CCCC1=O ZINC001109463917 1202057144 /nfs/dbraw/zinc/05/71/44/1202057144.db2.gz CRNHPOXQNWZOGN-NCOADZHNSA-N 2 1 380.533 0.422 20 0 GCADMP C[C@@H](C(=O)NC(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565583 1202081495 /nfs/dbraw/zinc/08/14/95/1202081495.db2.gz URYJOGNIDWPGJR-XGUBFFRZSA-N 2 1 379.505 0.556 20 0 GCADMP C[C@@H](C(=O)NC(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1([NH+](C)C)CCCC1)C2 ZINC001109565583 1202081497 /nfs/dbraw/zinc/08/14/97/1202081497.db2.gz URYJOGNIDWPGJR-XGUBFFRZSA-N 2 1 379.505 0.556 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651336 1202098150 /nfs/dbraw/zinc/09/81/50/1202098150.db2.gz VIDFFMGLIVJNRC-NCOADZHNSA-N 2 1 380.533 0.591 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C2 ZINC001109651336 1202098151 /nfs/dbraw/zinc/09/81/51/1202098151.db2.gz VIDFFMGLIVJNRC-NCOADZHNSA-N 2 1 380.533 0.591 20 0 GCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3C[C@H](O)CN2CCCC2=O)CC1 ZINC001109649823 1202098157 /nfs/dbraw/zinc/09/81/57/1202098157.db2.gz GBHVWCVAVWLZGT-NCOADZHNSA-N 2 1 378.517 0.033 20 0 GCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655505 1202099414 /nfs/dbraw/zinc/09/94/14/1202099414.db2.gz ZBUYMECNQIEMQS-OJLVUWQFSA-N 2 1 379.505 0.426 20 0 GCADMP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655505 1202099416 /nfs/dbraw/zinc/09/94/16/1202099416.db2.gz ZBUYMECNQIEMQS-OJLVUWQFSA-N 2 1 379.505 0.426 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669263 1202102999 /nfs/dbraw/zinc/10/29/99/1202102999.db2.gz VIJLHSGXIKIBIN-BGTYHANMSA-N 2 1 380.533 0.591 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC[NH+](C)CC1)C2 ZINC001109669263 1202103001 /nfs/dbraw/zinc/10/30/01/1202103001.db2.gz VIJLHSGXIKIBIN-BGTYHANMSA-N 2 1 380.533 0.591 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672465 1202103391 /nfs/dbraw/zinc/10/33/91/1202103391.db2.gz GIDFZPPCQKHQAF-WCVJEAGWSA-N 2 1 381.521 0.530 20 0 GCADMP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672465 1202103392 /nfs/dbraw/zinc/10/33/92/1202103392.db2.gz GIDFZPPCQKHQAF-WCVJEAGWSA-N 2 1 381.521 0.530 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCC(C)(C)C1)C2 ZINC001109719335 1202111433 /nfs/dbraw/zinc/11/14/33/1202111433.db2.gz DVLVBHUHHFUFLQ-SQNIBIBYSA-N 2 1 380.533 0.593 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@@H+]1CCC(C)(C)C1)C2 ZINC001109719335 1202111434 /nfs/dbraw/zinc/11/14/34/1202111434.db2.gz DVLVBHUHHFUFLQ-SQNIBIBYSA-N 2 1 380.533 0.593 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)C2 ZINC001109719335 1202111436 /nfs/dbraw/zinc/11/14/36/1202111436.db2.gz DVLVBHUHHFUFLQ-SQNIBIBYSA-N 2 1 380.533 0.593 20 0 GCADMP CNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799441 1202124174 /nfs/dbraw/zinc/12/41/74/1202124174.db2.gz YODVZCJQBGDRSH-UKMLZYKCSA-N 2 1 379.505 0.284 20 0 GCADMP CNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC[NH+](C)CC1)C2 ZINC001109799441 1202124177 /nfs/dbraw/zinc/12/41/77/1202124177.db2.gz YODVZCJQBGDRSH-UKMLZYKCSA-N 2 1 379.505 0.284 20 0 GCADMP CC(C)NC(=O)NCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCN1CCOCC1)C2 ZINC001109847675 1202135057 /nfs/dbraw/zinc/13/50/57/1202135057.db2.gz BLTUHLYZDJLXHB-IKGGRYGDSA-N 2 1 381.521 0.138 20 0 GCADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980147 1202165752 /nfs/dbraw/zinc/16/57/52/1202165752.db2.gz KDMAEVBPAWHIAA-BDXSIMOUSA-N 2 1 382.549 0.837 20 0 GCADMP CC(C)CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980147 1202165755 /nfs/dbraw/zinc/16/57/55/1202165755.db2.gz KDMAEVBPAWHIAA-BDXSIMOUSA-N 2 1 382.549 0.837 20 0 GCADMP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005993 1202172557 /nfs/dbraw/zinc/17/25/57/1202172557.db2.gz PKYQAVAHQYFUHJ-FZKCQIBNSA-N 2 1 381.521 0.674 20 0 GCADMP CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005993 1202172559 /nfs/dbraw/zinc/17/25/59/1202172559.db2.gz PKYQAVAHQYFUHJ-FZKCQIBNSA-N 2 1 381.521 0.674 20 0 GCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787623358 1205395548 /nfs/dbraw/zinc/39/55/48/1205395548.db2.gz SKEHGGKMNBWBBI-MOPGFXCFSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000787623358 1205395552 /nfs/dbraw/zinc/39/55/52/1205395552.db2.gz SKEHGGKMNBWBBI-MOPGFXCFSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000787623358 1205395555 /nfs/dbraw/zinc/39/55/55/1205395555.db2.gz SKEHGGKMNBWBBI-MOPGFXCFSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000787623358 1205395558 /nfs/dbraw/zinc/39/55/58/1205395558.db2.gz SKEHGGKMNBWBBI-MOPGFXCFSA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[N@@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787623360 1205395578 /nfs/dbraw/zinc/39/55/78/1205395578.db2.gz SKEHGGKMNBWBBI-OALUTQOASA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[N@H+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787623360 1205395581 /nfs/dbraw/zinc/39/55/81/1205395581.db2.gz SKEHGGKMNBWBBI-OALUTQOASA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787623360 1205395584 /nfs/dbraw/zinc/39/55/84/1205395584.db2.gz SKEHGGKMNBWBBI-OALUTQOASA-N 2 1 386.496 0.140 20 0 GCADMP O=C(NCC[NH+]1CCc2ccccc2C1)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787623360 1205395587 /nfs/dbraw/zinc/39/55/87/1205395587.db2.gz SKEHGGKMNBWBBI-OALUTQOASA-N 2 1 386.496 0.140 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000787652308 1205397561 /nfs/dbraw/zinc/39/75/61/1205397561.db2.gz ILCKNDGIQKJHRY-BZUAXINKSA-N 2 1 380.514 0.446 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccsc1 ZINC000787652308 1205397563 /nfs/dbraw/zinc/39/75/63/1205397563.db2.gz ILCKNDGIQKJHRY-BZUAXINKSA-N 2 1 380.514 0.446 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000787909848 1205407337 /nfs/dbraw/zinc/40/73/37/1205407337.db2.gz KLYOMSARAMLPHZ-HCXYKTFWSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000787909848 1205407339 /nfs/dbraw/zinc/40/73/39/1205407339.db2.gz KLYOMSARAMLPHZ-HCXYKTFWSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000787909848 1205407341 /nfs/dbraw/zinc/40/73/41/1205407341.db2.gz KLYOMSARAMLPHZ-HCXYKTFWSA-N 2 1 394.560 0.840 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000788101164 1205413152 /nfs/dbraw/zinc/41/31/52/1205413152.db2.gz NYFDEHILXRHRES-MRXNPFEDSA-N 2 1 395.548 0.084 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372369 1205463646 /nfs/dbraw/zinc/46/36/46/1205463646.db2.gz VSMYCCVMMVDFRR-AZUAARDMSA-N 2 1 377.533 0.572 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372373 1205463732 /nfs/dbraw/zinc/46/37/32/1205463732.db2.gz VSMYCCVMMVDFRR-ICSRJNTNSA-N 2 1 377.533 0.572 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC2)C1 ZINC000790372376 1205463798 /nfs/dbraw/zinc/46/37/98/1205463798.db2.gz VSMYCCVMMVDFRR-QUCCMNQESA-N 2 1 377.533 0.572 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371033 1205463899 /nfs/dbraw/zinc/46/38/99/1205463899.db2.gz OCOZAMTVGVCROK-YRNRMSPPSA-N 2 1 394.516 0.724 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371033 1205463901 /nfs/dbraw/zinc/46/39/01/1205463901.db2.gz OCOZAMTVGVCROK-YRNRMSPPSA-N 2 1 394.516 0.724 20 0 GCADMP C[NH+]1CCC(CCO)(NC(=O)CC[NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000792299758 1205486093 /nfs/dbraw/zinc/48/60/93/1205486093.db2.gz CZUZZDRFWXEPGK-UHFFFAOYSA-N 2 1 398.548 0.892 20 0 GCADMP Cn1ccccc1=[N+]([C@H](O)OC(C)(C)C)[C@H]1C[C@@H]([C@@H](O)[NH+](C)C)CC[C@@H]1[NH3+] ZINC001170389495 1205491366 /nfs/dbraw/zinc/49/13/66/1205491366.db2.gz QZBYNZAHYQAYEU-BEIYGRMHSA-N 3 1 381.541 0.785 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701015 1205504282 /nfs/dbraw/zinc/50/42/82/1205504282.db2.gz NNUWPQKBZKTRCT-MJGOQNOKSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793701015 1205504283 /nfs/dbraw/zinc/50/42/83/1205504283.db2.gz NNUWPQKBZKTRCT-MJGOQNOKSA-N 2 1 393.576 0.604 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702995 1205504639 /nfs/dbraw/zinc/50/46/39/1205504639.db2.gz VNMDGLWGVQTAKB-IRXDYDNUSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702995 1205504640 /nfs/dbraw/zinc/50/46/40/1205504640.db2.gz VNMDGLWGVQTAKB-IRXDYDNUSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702993 1205504701 /nfs/dbraw/zinc/50/47/01/1205504701.db2.gz VNMDGLWGVQTAKB-IAGOWNOFSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000793702993 1205504702 /nfs/dbraw/zinc/50/47/02/1205504702.db2.gz VNMDGLWGVQTAKB-IAGOWNOFSA-N 2 1 379.549 0.262 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000793805182 1205506498 /nfs/dbraw/zinc/50/64/98/1205506498.db2.gz MULQGOLXYDWMEW-YOEHRIQHSA-N 2 1 384.484 0.991 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000793805182 1205506499 /nfs/dbraw/zinc/50/64/99/1205506499.db2.gz MULQGOLXYDWMEW-YOEHRIQHSA-N 2 1 384.484 0.991 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101660 1205506627 /nfs/dbraw/zinc/50/66/27/1205506627.db2.gz YYBZRGOWEVMAMP-CRWXNKLISA-N 2 1 376.423 0.728 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101660 1205506629 /nfs/dbraw/zinc/50/66/29/1205506629.db2.gz YYBZRGOWEVMAMP-CRWXNKLISA-N 2 1 376.423 0.728 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCNC(=O)C(F)(F)F)C1 ZINC001110101660 1205506630 /nfs/dbraw/zinc/50/66/30/1205506630.db2.gz YYBZRGOWEVMAMP-CRWXNKLISA-N 2 1 376.423 0.728 20 0 GCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)([NH+](C)C)C1 ZINC000793815141 1205507259 /nfs/dbraw/zinc/50/72/59/1205507259.db2.gz WFQUWFTYPCCJCG-YZLZLFLDSA-N 2 1 380.533 0.593 20 0 GCADMP C[NH+]1CCC(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)(N2CCOCC2)CC1 ZINC001129720607 1205519126 /nfs/dbraw/zinc/51/91/26/1205519126.db2.gz QEMWWCSSOZYVAL-UHFFFAOYSA-N 2 1 384.484 0.794 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]CCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129857833 1205521196 /nfs/dbraw/zinc/52/11/96/1205521196.db2.gz GXZACBDTJDDSIM-MANSERQUSA-N 2 1 390.532 0.777 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOCC3CCC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129856096 1205521210 /nfs/dbraw/zinc/52/12/10/1205521210.db2.gz XAROXNPRCWFIDT-OWYHZJEWSA-N 2 1 390.532 0.777 20 0 GCADMP COCCOCCOCCOCCNc1cc[nH+]c(N2CCC([NH3+])CC2)n1 ZINC001170475051 1205531984 /nfs/dbraw/zinc/53/19/84/1205531984.db2.gz NTFZAZGAORQHKY-UHFFFAOYSA-N 2 1 383.493 0.512 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NCCN(C)CC[NH3+] ZINC001170499758 1205550182 /nfs/dbraw/zinc/55/01/82/1205550182.db2.gz VEXJQDIEQNPBBM-HNNXBMFYSA-N 2 1 381.521 0.490 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001130596602 1205554913 /nfs/dbraw/zinc/55/49/13/1205554913.db2.gz LYPXQYAHCNNDAM-CWLKWCNXSA-N 2 1 390.532 0.123 20 0 GCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614668 1205555732 /nfs/dbraw/zinc/55/57/32/1205555732.db2.gz ATALRBSUBBMYDY-CYGHRXIMSA-N 2 1 379.505 0.060 20 0 GCADMP CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130614668 1205555735 /nfs/dbraw/zinc/55/57/35/1205555735.db2.gz ATALRBSUBBMYDY-CYGHRXIMSA-N 2 1 379.505 0.060 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001130994064 1205585098 /nfs/dbraw/zinc/58/50/98/1205585098.db2.gz CYJQRVODOOICCC-BSDSXHPESA-N 2 1 393.532 0.043 20 0 GCADMP CC(C)NC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cncn1C ZINC001130994134 1205585160 /nfs/dbraw/zinc/58/51/60/1205585160.db2.gz IEOSDMNEELAWEL-QBPKDAKJSA-N 2 1 390.532 0.169 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000807685446 1205588286 /nfs/dbraw/zinc/58/82/86/1205588286.db2.gz PBEIHCRUQDKSJQ-CPFNUKBASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000807685446 1205588287 /nfs/dbraw/zinc/58/82/87/1205588287.db2.gz PBEIHCRUQDKSJQ-CPFNUKBASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH2+]CCOCCO)CC2)CC[N@H+]1C ZINC001131500441 1205613400 /nfs/dbraw/zinc/61/34/00/1205613400.db2.gz WHTZZZATEQUOIO-OWYHZJEWSA-N 2 1 383.533 0.321 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CNC(=O)C(F)(F)F)C2)CC1 ZINC000810066905 1205633494 /nfs/dbraw/zinc/63/34/94/1205633494.db2.gz QNDUWEHWFCNILE-CYBMUJFWSA-N 2 1 378.439 0.977 20 0 GCADMP C[NH+]1CC[C@@H]2CN(C(=O)CCCC(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000812323003 1205663703 /nfs/dbraw/zinc/66/37/03/1205663703.db2.gz KFVKLDPUYZOIBY-SEXKYXSUSA-N 2 1 376.545 0.977 20 0 GCADMP C[NH+]1CC[C@H]2CN(C(=O)CCCC(=O)N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000812323003 1205663704 /nfs/dbraw/zinc/66/37/04/1205663704.db2.gz KFVKLDPUYZOIBY-SEXKYXSUSA-N 2 1 376.545 0.977 20 0 GCADMP C[NH+]1CC[C@H]2CN(C(=O)CCCC(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000812323003 1205663705 /nfs/dbraw/zinc/66/37/05/1205663705.db2.gz KFVKLDPUYZOIBY-SEXKYXSUSA-N 2 1 376.545 0.977 20 0 GCADMP C[NH+]1CC[C@@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4CC[N@H+](C)C[C@@H]4C3)C[C@@H]2C1 ZINC000812328781 1205663844 /nfs/dbraw/zinc/66/38/44/1205663844.db2.gz FPOVMUSAWMLEGV-FZDBZEDMSA-N 2 1 394.585 0.540 20 0 GCADMP C[NH+]1CC[C@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4C[N@@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000812328781 1205663846 /nfs/dbraw/zinc/66/38/46/1205663846.db2.gz FPOVMUSAWMLEGV-FZDBZEDMSA-N 2 1 394.585 0.540 20 0 GCADMP C[NH+]1CC[C@H]2CN(C(=O)CSCC(=O)N3C[C@@H]4C[N@H+](C)CC[C@@H]4C3)C[C@H]2C1 ZINC000812328781 1205663849 /nfs/dbraw/zinc/66/38/49/1205663849.db2.gz FPOVMUSAWMLEGV-FZDBZEDMSA-N 2 1 394.585 0.540 20 0 GCADMP CON(C)C(=O)C1CC[NH+](CCC[NH+]2CCC(C(=O)N(C)OC)CC2)CC1 ZINC000812868858 1205670140 /nfs/dbraw/zinc/67/01/40/1205670140.db2.gz RICXXTXQZLYEFR-UHFFFAOYSA-N 2 1 384.521 0.840 20 0 GCADMP CCN1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)CC1=O ZINC001172042992 1205712443 /nfs/dbraw/zinc/71/24/43/1205712443.db2.gz ZRGSHQZMGIJPSZ-KRWDZBQOSA-N 2 1 380.533 0.500 20 0 GCADMP CN1[C@H]2COC[C@@H]1CC([N@@H+]1CCc3ncnc(N4CC[NH+](C)CC4)c3CC1)C2 ZINC001172140558 1205712891 /nfs/dbraw/zinc/71/28/91/1205712891.db2.gz WHRPZPFJEIEPGF-AYHJJNSGSA-N 2 1 386.544 0.491 20 0 GCADMP CN1[C@H]2COC[C@@H]1CC([N@H+]1CCc3ncnc(N4CC[NH+](C)CC4)c3CC1)C2 ZINC001172140558 1205712892 /nfs/dbraw/zinc/71/28/92/1205712892.db2.gz WHRPZPFJEIEPGF-AYHJJNSGSA-N 2 1 386.544 0.491 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176926 1205714299 /nfs/dbraw/zinc/71/42/99/1205714299.db2.gz ZHJOMAMJNFVYDE-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176926 1205714300 /nfs/dbraw/zinc/71/43/00/1205714300.db2.gz ZHJOMAMJNFVYDE-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@@H]3CCN4C(=O)CC[C@H]4C3)CC[C@@H]2C1 ZINC001172176926 1205714301 /nfs/dbraw/zinc/71/43/01/1205714301.db2.gz ZHJOMAMJNFVYDE-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@H]2CCN4C(=O)CC[C@@H]4C2)CC3)CC1 ZINC001172179216 1205714429 /nfs/dbraw/zinc/71/44/29/1205714429.db2.gz RKHNUWKNALCBKW-DLBZAZTESA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@H]2CCN4C(=O)CC[C@@H]4C2)CC3)CC1 ZINC001172179216 1205714431 /nfs/dbraw/zinc/71/44/31/1205714431.db2.gz RKHNUWKNALCBKW-DLBZAZTESA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@@H+]([C@@H]2CCN4C(=O)CC[C@H]4C2)CC3)CC1 ZINC001172179219 1205714489 /nfs/dbraw/zinc/71/44/89/1205714489.db2.gz RKHNUWKNALCBKW-SJORKVTESA-N 2 1 384.528 0.782 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CC[N@H+]([C@@H]2CCN4C(=O)CC[C@H]4C2)CC3)CC1 ZINC001172179219 1205714492 /nfs/dbraw/zinc/71/44/92/1205714492.db2.gz RKHNUWKNALCBKW-SJORKVTESA-N 2 1 384.528 0.782 20 0 GCADMP CC[N@H+]1CC[C@@H](N(CC[NH3+])c2ccc(S(=O)(=O)N(C)C)c3nonc32)C1 ZINC001173359410 1205719991 /nfs/dbraw/zinc/71/99/91/1205719991.db2.gz MRPXTDJPFQCGEO-GFCCVEGCSA-N 2 1 382.490 0.332 20 0 GCADMP COC(=O)[C@@H]1C[C@H](n2c[nH+]cc2C[C@@H]([NH3+])CO)CCN1C(=O)c1ccccc1 ZINC001173494617 1205722558 /nfs/dbraw/zinc/72/25/58/1205722558.db2.gz BFGGAOANFNNROE-NUJGCVRESA-N 2 1 386.452 0.764 20 0 GCADMP COC(=O)[C@H]1C[C@H]([NH+]2CCN(CCC[NH3+])CC2)CCN1C(=O)c1ccccc1 ZINC001173517940 1205723190 /nfs/dbraw/zinc/72/31/90/1205723190.db2.gz TYNZUQWKCIVMJK-RTBURBONSA-N 2 1 388.512 0.799 20 0 GCADMP CC[C@]1(C(=O)OC)C[C@@H]([NH2+]C[C@@H](C[NH3+])C(=O)OC)CN1C(=O)OC(C)(C)C ZINC001173520089 1205723297 /nfs/dbraw/zinc/72/32/97/1205723297.db2.gz OYFHGRIVLJQYQE-SNUQEOBHSA-N 2 1 387.477 0.655 20 0 GCADMP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1CCNC1=O ZINC001110188598 1205740108 /nfs/dbraw/zinc/74/01/08/1205740108.db2.gz IKBKOWVXFGMRAP-SQNIBIBYSA-N 2 1 377.533 0.999 20 0 GCADMP CC[NH+](CC)CCN(C(N)=[NH2+])C(=O)[C@@H](Cc1cnc[nH]1)NC(=O)OC(C)(C)C ZINC001177093521 1205762296 /nfs/dbraw/zinc/76/22/96/1205762296.db2.gz FEMJWJKNUKXBJE-CQSZACIVSA-N 2 1 395.508 0.909 20 0 GCADMP C[NH+](C)CCNC(=O)[C@H]1C[N@@H+](C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 ZINC001179150130 1205803958 /nfs/dbraw/zinc/80/39/58/1205803958.db2.gz JWHBCQKEVUEDCN-OAHLLOKOSA-N 2 1 384.521 0.765 20 0 GCADMP CC[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC001180011555 1205816990 /nfs/dbraw/zinc/81/69/90/1205816990.db2.gz OXHTUTRRJSTWRK-CALCHBBNSA-N 2 1 388.578 0.690 20 0 GCADMP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[NH+](C)CCO1)CCC2 ZINC001180759573 1205831300 /nfs/dbraw/zinc/83/13/00/1205831300.db2.gz QAZCBDSZXFMBCK-MRXNPFEDSA-N 2 1 377.489 0.146 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[NH+](C)CCO1)CCC2 ZINC001180759573 1205831301 /nfs/dbraw/zinc/83/13/01/1205831301.db2.gz QAZCBDSZXFMBCK-MRXNPFEDSA-N 2 1 377.489 0.146 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@H+](C)CCO1)CCC2 ZINC001180759573 1205831304 /nfs/dbraw/zinc/83/13/04/1205831304.db2.gz QAZCBDSZXFMBCK-MRXNPFEDSA-N 2 1 377.489 0.146 20 0 GCADMP CC(C)[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1C[N@@H+](C)CCO1)CCC2 ZINC001180759573 1205831306 /nfs/dbraw/zinc/83/13/06/1205831306.db2.gz QAZCBDSZXFMBCK-MRXNPFEDSA-N 2 1 377.489 0.146 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978311 1205852530 /nfs/dbraw/zinc/85/25/30/1205852530.db2.gz NTPGLWBWKSRREU-XLIONFOSSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[NH+](C(C)C)C3)C2)C1 ZINC001181978311 1205852531 /nfs/dbraw/zinc/85/25/31/1205852531.db2.gz NTPGLWBWKSRREU-XLIONFOSSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@@H+](C(C)C)C3)C2)C1 ZINC001181978311 1205852534 /nfs/dbraw/zinc/85/25/34/1205852534.db2.gz NTPGLWBWKSRREU-XLIONFOSSA-N 2 1 380.533 0.404 20 0 GCADMP CNC(=O)C[NH+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CC[N@H+](C(C)C)C3)C2)C1 ZINC001181978311 1205852535 /nfs/dbraw/zinc/85/25/35/1205852535.db2.gz NTPGLWBWKSRREU-XLIONFOSSA-N 2 1 380.533 0.404 20 0 GCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(=O)C4(O)CC[NH+](C)CC4)C3)O2)CC1 ZINC001182031043 1205853561 /nfs/dbraw/zinc/85/35/61/1205853561.db2.gz JEVQTQMFQCCSDO-UYAOXDASSA-N 2 1 394.560 0.231 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013358 1205854450 /nfs/dbraw/zinc/85/44/50/1205854450.db2.gz YYQYRZYMGXQGAK-PXNSSMCTSA-N 2 1 378.517 0.015 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001182013358 1205854452 /nfs/dbraw/zinc/85/44/52/1205854452.db2.gz YYQYRZYMGXQGAK-PXNSSMCTSA-N 2 1 378.517 0.015 20 0 GCADMP CCOC(=O)C1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC001185244639 1205918500 /nfs/dbraw/zinc/91/85/00/1205918500.db2.gz LLUOGTVOVGPDNY-SFHVURJKSA-N 2 1 380.533 0.498 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCN2C)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252702 1205919177 /nfs/dbraw/zinc/91/91/77/1205919177.db2.gz TZHSUKJTIHQMJE-ZWOKBUDYSA-N 2 1 388.516 0.275 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCN2C)[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252702 1205919179 /nfs/dbraw/zinc/91/91/79/1205919179.db2.gz TZHSUKJTIHQMJE-ZWOKBUDYSA-N 2 1 388.516 0.275 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccs1 ZINC000774853020 1205921016 /nfs/dbraw/zinc/92/10/16/1205921016.db2.gz GILADBXISDJWCS-QLFBSQMISA-N 2 1 380.514 0.446 20 0 GCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2ncnc3c2CC[NH2+]CC3)C(C)C)C1 ZINC001186101537 1205934585 /nfs/dbraw/zinc/93/45/85/1205934585.db2.gz WHPVNAWGCOBJNN-AWEZNQCLSA-N 2 1 375.473 0.401 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2ncnc3c2CC[NH2+]CC3)C(C)C)C1 ZINC001186101537 1205934587 /nfs/dbraw/zinc/93/45/87/1205934587.db2.gz WHPVNAWGCOBJNN-AWEZNQCLSA-N 2 1 375.473 0.401 20 0 GCADMP CCOCCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187963776 1205971618 /nfs/dbraw/zinc/97/16/18/1205971618.db2.gz HLCLXUNRKXRQLE-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP CCOCCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187963776 1205971620 /nfs/dbraw/zinc/97/16/20/1205971620.db2.gz HLCLXUNRKXRQLE-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187963776 1205971623 /nfs/dbraw/zinc/97/16/23/1205971623.db2.gz HLCLXUNRKXRQLE-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP CCOCCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187963776 1205971625 /nfs/dbraw/zinc/97/16/25/1205971625.db2.gz HLCLXUNRKXRQLE-WNRNVDISSA-N 2 1 380.533 0.402 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCNC(=O)C(F)(F)F)C[C@H]32)CC[N@H+]1C ZINC001187958037 1205972035 /nfs/dbraw/zinc/97/20/35/1205972035.db2.gz GJKWRPSELJFDSS-LXTVHRRPSA-N 2 1 390.450 0.928 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCNC(=O)C(F)(F)F)C[C@H]32)CC[NH+]1C ZINC001187958037 1205972037 /nfs/dbraw/zinc/97/20/37/1205972037.db2.gz GJKWRPSELJFDSS-LXTVHRRPSA-N 2 1 390.450 0.928 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NC(=O)NC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001187957979 1205972160 /nfs/dbraw/zinc/97/21/60/1205972160.db2.gz AUHIOEAYGWIDIW-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]32)CC[N@@H+]1C ZINC001187957979 1205972161 /nfs/dbraw/zinc/97/21/61/1205972161.db2.gz AUHIOEAYGWIDIW-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]32)CC[N@H+]1C ZINC001187957979 1205972162 /nfs/dbraw/zinc/97/21/62/1205972162.db2.gz AUHIOEAYGWIDIW-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001187957979 1205972163 /nfs/dbraw/zinc/97/21/63/1205972163.db2.gz AUHIOEAYGWIDIW-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)C[C@H]32)CC[NH+]1C ZINC001187957979 1205972164 /nfs/dbraw/zinc/97/21/64/1205972164.db2.gz AUHIOEAYGWIDIW-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](CCCS(=O)(=O)N(C)C)C[C@H]32)CC[N@H+]1C ZINC001187958403 1205972203 /nfs/dbraw/zinc/97/22/03/1205972203.db2.gz SYWHMCXUFJYCJU-YYIAUSFCSA-N 2 1 386.562 0.141 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[N@H+](CCCS(=O)(=O)N(C)C)C[C@H]32)CC[NH+]1C ZINC001187958403 1205972204 /nfs/dbraw/zinc/97/22/04/1205972204.db2.gz SYWHMCXUFJYCJU-YYIAUSFCSA-N 2 1 386.562 0.141 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CCCCCC1 ZINC000775220890 1205995528 /nfs/dbraw/zinc/99/55/28/1205995528.db2.gz CTDVBNCIFZHCPU-DLBZAZTESA-N 2 1 380.533 0.737 20 0 GCADMP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc3c(nn1)CC[NH2+]C3)CCC2 ZINC001164814553 720228443 /nfs/dbraw/zinc/22/84/43/720228443.db2.gz YDDXWCRSVCJKLI-UHFFFAOYSA-N 2 1 383.500 0.930 20 0 GCADMP C[N@@H+](Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2C[NH2+]C3)nc1)C1CC1 ZINC001164817091 720246765 /nfs/dbraw/zinc/24/67/65/720246765.db2.gz OSZFFSPGFZHFFO-UHFFFAOYSA-N 2 1 382.468 0.937 20 0 GCADMP COCC[N@H+]1CCO[C@H]2CN(c3ccc(N4CC[NH2+]CC4)cn3)CC[C@@H]2C1 ZINC001164857385 720868205 /nfs/dbraw/zinc/86/82/05/720868205.db2.gz QRPMCTAAMLNSNU-MJGOQNOKSA-N 2 1 375.517 0.665 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(OC4CC[NH2+]CC4)nn3)CC[C@@H]2C1 ZINC001164852969 720877714 /nfs/dbraw/zinc/87/77/14/720877714.db2.gz ASPCPRNNMMXKFY-SJLPKXTDSA-N 2 1 391.516 0.781 20 0 GCADMP COCC[N@@H+]1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1 ZINC001164859307 720883371 /nfs/dbraw/zinc/88/33/71/720883371.db2.gz MNPDBRMYIDFOKN-ZWKOTPCHSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccnc(N4CC[NH+](C)CC4)n3)CC[C@H]2C1 ZINC001164859307 720883373 /nfs/dbraw/zinc/88/33/73/720883373.db2.gz MNPDBRMYIDFOKN-ZWKOTPCHSA-N 2 1 390.532 0.402 20 0 GCADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164866029 721061553 /nfs/dbraw/zinc/06/15/53/721061553.db2.gz BTIRVDXVJCWRKN-OALUTQOASA-N 2 1 395.511 0.761 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)C[C@H]3C2)cn1 ZINC001164765236 721090993 /nfs/dbraw/zinc/09/09/93/721090993.db2.gz ISQIVZBTTDRVQI-QZTJIDSGSA-N 2 1 382.516 0.578 20 0 GCADMP CCOC(=O)C[C@@H]1C(=O)NCCN1c1cc(OC2CC[NH+](C)CC2)cc[nH+]1 ZINC001165034188 721876078 /nfs/dbraw/zinc/87/60/78/721876078.db2.gz GTRPYKJLNOVZID-MRXNPFEDSA-N 2 1 376.457 0.813 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001571264616 945488559 /nfs/dbraw/zinc/48/85/59/945488559.db2.gz SDMJZVPQWROQTK-OAHLLOKOSA-N 2 1 385.472 0.375 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571264616 945488567 /nfs/dbraw/zinc/48/85/67/945488567.db2.gz SDMJZVPQWROQTK-OAHLLOKOSA-N 2 1 385.472 0.375 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264723 945491975 /nfs/dbraw/zinc/49/19/75/945491975.db2.gz VCUGJNFLBXBTLP-DLBZAZTESA-N 2 1 385.472 0.135 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821276220 945664335 /nfs/dbraw/zinc/66/43/35/945664335.db2.gz IOSVHFRNAJXXEU-QGZVFWFLSA-N 2 1 387.488 0.478 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821276220 945664339 /nfs/dbraw/zinc/66/43/39/945664339.db2.gz IOSVHFRNAJXXEU-QGZVFWFLSA-N 2 1 387.488 0.478 20 0 GCADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CC[NH+](CC1)C2 ZINC001571283714 945888826 /nfs/dbraw/zinc/88/88/26/945888826.db2.gz HTPGYZFGVZNPHC-CYBMUJFWSA-N 2 1 387.513 0.962 20 0 GCADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575265561 949451480 /nfs/dbraw/zinc/45/14/80/949451480.db2.gz USWCLEBOXGDOGU-NEPJUHHUSA-N 2 1 375.502 0.816 20 0 GCADMP C[C@@H](NC(=O)CC[NH+](C)C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575271837 949628440 /nfs/dbraw/zinc/62/84/40/949628440.db2.gz MUKMELJQHVNFEN-GFCCVEGCSA-N 2 1 375.452 0.894 20 0 GCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184580 950133158 /nfs/dbraw/zinc/13/31/58/950133158.db2.gz VYEWVQCPYXTNNK-LSDHHAIUSA-N 2 1 386.504 0.920 20 0 GCADMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C)[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576184577 950133777 /nfs/dbraw/zinc/13/37/77/950133777.db2.gz VYEWVQCPYXTNNK-HUUCEWRRSA-N 2 1 386.504 0.920 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCO)CC[NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001576196464 950366848 /nfs/dbraw/zinc/36/68/48/950366848.db2.gz FALNMWBMMSDRNL-OAHLLOKOSA-N 2 1 387.488 0.119 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)C1 ZINC001576202883 950437437 /nfs/dbraw/zinc/43/74/37/950437437.db2.gz DPEKOCSPTPHYKX-RBSFLKMASA-N 2 1 384.488 0.532 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205170 950496287 /nfs/dbraw/zinc/49/62/87/950496287.db2.gz VWFHYVIAKZEALZ-BFUOFWGJSA-N 2 1 384.488 0.722 20 0 GCADMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001576205839 950542636 /nfs/dbraw/zinc/54/26/36/950542636.db2.gz QFYVLGCISDKYPU-CHWSQXEVSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207678 950601043 /nfs/dbraw/zinc/60/10/43/950601043.db2.gz IHJXEYBUNCXJTN-CYBMUJFWSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207678 950601063 /nfs/dbraw/zinc/60/10/63/950601063.db2.gz IHJXEYBUNCXJTN-CYBMUJFWSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576207678 950601100 /nfs/dbraw/zinc/60/11/00/950601100.db2.gz IHJXEYBUNCXJTN-CYBMUJFWSA-N 2 1 375.452 0.896 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2[C@H]3C[NH+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213477 950629031 /nfs/dbraw/zinc/62/90/31/950629031.db2.gz ASCNIFBKNGDXQO-WKCGWZECSA-N 2 1 381.484 0.755 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213477 950629043 /nfs/dbraw/zinc/62/90/43/950629043.db2.gz ASCNIFBKNGDXQO-WKCGWZECSA-N 2 1 381.484 0.755 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C[C@H]32)C1 ZINC001576213477 950629057 /nfs/dbraw/zinc/62/90/57/950629057.db2.gz ASCNIFBKNGDXQO-WKCGWZECSA-N 2 1 381.484 0.755 20 0 GCADMP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574774557 951009003 /nfs/dbraw/zinc/00/90/03/951009003.db2.gz CZIDFOMTJJLJDS-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574774557 951009021 /nfs/dbraw/zinc/00/90/21/951009021.db2.gz CZIDFOMTJJLJDS-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574774557 951009042 /nfs/dbraw/zinc/00/90/42/951009042.db2.gz CZIDFOMTJJLJDS-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574774535 951009260 /nfs/dbraw/zinc/00/92/60/951009260.db2.gz CZIDFOMTJJLJDS-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574774535 951009278 /nfs/dbraw/zinc/00/92/78/951009278.db2.gz CZIDFOMTJJLJDS-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574774535 951009290 /nfs/dbraw/zinc/00/92/90/951009290.db2.gz CZIDFOMTJJLJDS-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089407 951749328 /nfs/dbraw/zinc/74/93/28/951749328.db2.gz FLEHZNMODZRXIM-MLGOLLRUSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575089405 951749862 /nfs/dbraw/zinc/74/98/62/951749862.db2.gz FLEHZNMODZRXIM-BLLLJJGKSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101260 951855433 /nfs/dbraw/zinc/85/54/33/951855433.db2.gz BHSYNBJYKQXMAJ-MLGOLLRUSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106543 951905357 /nfs/dbraw/zinc/90/53/57/951905357.db2.gz RVMRZOBAGPHYOF-HNNXBMFYSA-N 2 1 387.488 0.431 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119948 952496651 /nfs/dbraw/zinc/49/66/51/952496651.db2.gz HLLUOURVOXAODH-CHWSQXEVSA-N 2 1 375.502 0.818 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119948 952496655 /nfs/dbraw/zinc/49/66/55/952496655.db2.gz HLLUOURVOXAODH-CHWSQXEVSA-N 2 1 375.502 0.818 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119948 952496661 /nfs/dbraw/zinc/49/66/61/952496661.db2.gz HLLUOURVOXAODH-CHWSQXEVSA-N 2 1 375.502 0.818 20 0 GCADMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119950 952497496 /nfs/dbraw/zinc/49/74/96/952497496.db2.gz HLLUOURVOXAODH-QWHCGFSZSA-N 2 1 375.502 0.818 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119950 952497500 /nfs/dbraw/zinc/49/75/00/952497500.db2.gz HLLUOURVOXAODH-QWHCGFSZSA-N 2 1 375.502 0.818 20 0 GCADMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571119950 952497504 /nfs/dbraw/zinc/49/75/04/952497504.db2.gz HLLUOURVOXAODH-QWHCGFSZSA-N 2 1 375.502 0.818 20 0 GCADMP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190081 952940035 /nfs/dbraw/zinc/94/00/35/952940035.db2.gz DWCMGVCVPJJMEK-JLSDUUJJSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190081 952940039 /nfs/dbraw/zinc/94/00/39/952940039.db2.gz DWCMGVCVPJJMEK-JLSDUUJJSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190081 952940043 /nfs/dbraw/zinc/94/00/43/952940043.db2.gz DWCMGVCVPJJMEK-JLSDUUJJSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571190081 952940047 /nfs/dbraw/zinc/94/00/47/952940047.db2.gz DWCMGVCVPJJMEK-JLSDUUJJSA-N 2 1 381.484 0.994 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571251539 953318671 /nfs/dbraw/zinc/31/86/71/953318671.db2.gz ZLUBNABETQSSRP-CQSZACIVSA-N 2 1 384.488 0.676 20 0 GCADMP Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252858 953332603 /nfs/dbraw/zinc/33/26/03/953332603.db2.gz XIAPWDRWKWPKJH-JJRVBVJISA-N 2 1 384.488 0.783 20 0 GCADMP [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CCN2C1=O ZINC000594880154 530442713 /nfs/dbraw/zinc/44/27/13/530442713.db2.gz TZGIYMVNEBPNCW-VXNVDRBHSA-N 2 1 385.287 0.498 20 0 GCADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000502756406 530876174 /nfs/dbraw/zinc/87/61/74/530876174.db2.gz RFBTUNDJMSQZAZ-UHFFFAOYSA-N 2 1 376.563 0.997 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000632278345 530964488 /nfs/dbraw/zinc/96/44/88/530964488.db2.gz OXLDILAYRFVZRA-QGZVFWFLSA-N 2 1 376.567 0.044 20 0 GCADMP C[C@H]1C[N@@H+](CCCNS(=O)(=O)CCCN2CC[NH+](C)CC2)CCCO1 ZINC000632278344 530964667 /nfs/dbraw/zinc/96/46/67/530964667.db2.gz OXLDILAYRFVZRA-KRWDZBQOSA-N 2 1 376.567 0.044 20 0 GCADMP COc1ccccc1COC[C@H](O)C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000359999261 212131383 /nfs/dbraw/zinc/13/13/83/212131383.db2.gz NPFRMUJBOBTPFP-LJQANCHMSA-N 2 1 394.512 0.732 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146617 599074563 /nfs/dbraw/zinc/07/45/63/599074563.db2.gz IWFPGPZTNKGPNN-SUMWQHHRSA-N 2 1 387.488 0.418 20 0 GCADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146617 599074565 /nfs/dbraw/zinc/07/45/65/599074565.db2.gz IWFPGPZTNKGPNN-SUMWQHHRSA-N 2 1 387.488 0.418 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146614 599074778 /nfs/dbraw/zinc/07/47/78/599074778.db2.gz IWFPGPZTNKGPNN-CXAGYDPISA-N 2 1 387.488 0.418 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736146614 599074781 /nfs/dbraw/zinc/07/47/81/599074781.db2.gz IWFPGPZTNKGPNN-CXAGYDPISA-N 2 1 387.488 0.418 20 0 GCADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736145326 598349040 /nfs/dbraw/zinc/34/90/40/598349040.db2.gz SVOHTJDVCPEFJG-CQSZACIVSA-N 2 1 387.488 0.972 20 0 GCADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736145326 598349043 /nfs/dbraw/zinc/34/90/43/598349043.db2.gz SVOHTJDVCPEFJG-CQSZACIVSA-N 2 1 387.488 0.972 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821277794 599692294 /nfs/dbraw/zinc/69/22/94/599692294.db2.gz ZARABUOFTGKSSN-QGZVFWFLSA-N 2 1 387.488 0.478 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821277794 599692295 /nfs/dbraw/zinc/69/22/95/599692295.db2.gz ZARABUOFTGKSSN-QGZVFWFLSA-N 2 1 387.488 0.478 20 0 GCADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826505836 608383486 /nfs/dbraw/zinc/38/34/86/608383486.db2.gz GXEAETBIEPSZOH-UHFFFAOYSA-N 2 1 388.472 0.405 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000826185080 609499381 /nfs/dbraw/zinc/49/93/81/609499381.db2.gz XRGPQFZTEIBVJR-OAHLLOKOSA-N 2 1 375.433 0.983 20 0 GCADMP COc1ccc(-c2nn[nH]n2)cc1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000826185080 609499385 /nfs/dbraw/zinc/49/93/85/609499385.db2.gz XRGPQFZTEIBVJR-OAHLLOKOSA-N 2 1 375.433 0.983 20 0 GCADMP C[C@@H](C[NH2+]Cc1c(I)cnn1C)CN1CC[NH+](C)CC1 ZINC000894237276 638684937 /nfs/dbraw/zinc/68/49/37/638684937.db2.gz IJFMEWYBZYTEME-LBPRGKRZSA-N 2 1 391.301 0.998 20 0 GCADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000911630582 639519931 /nfs/dbraw/zinc/51/99/31/639519931.db2.gz SHYTTYJHXYAEBX-HNNXBMFYSA-N 2 1 385.306 0.869 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000919861160 639908141 /nfs/dbraw/zinc/90/81/41/639908141.db2.gz PNIXLLBABOQPGD-ZDUSSCGKSA-N 2 1 384.527 0.692 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)c2cc(Br)no2)CC1 ZINC000878230912 641591773 /nfs/dbraw/zinc/59/17/73/641591773.db2.gz ZSCOAVBPPMJQKN-GFCCVEGCSA-N 2 1 389.294 0.860 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)N(C)C ZINC000881849361 641659184 /nfs/dbraw/zinc/65/91/84/641659184.db2.gz PCCHOKCATMQHMI-QKFKETGDSA-N 2 1 383.584 0.154 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)N(C)C ZINC000881849360 641659394 /nfs/dbraw/zinc/65/93/94/641659394.db2.gz PCCHOKCATMQHMI-PSLXWICFSA-N 2 1 383.584 0.154 20 0 GCADMP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925813696 641918807 /nfs/dbraw/zinc/91/88/07/641918807.db2.gz VQUILEUOUWQJCR-ZBFHGGJFSA-N 2 1 387.527 0.889 20 0 GCADMP C[C@H](O)C[C@@H]1CCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246872595 642062146 /nfs/dbraw/zinc/06/21/46/642062146.db2.gz WKVKFPHOPAVVCD-XSLAGTTESA-N 2 1 376.563 0.872 20 0 GCADMP C[C@H](O)C[C@@H]1CCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000246872595 642062154 /nfs/dbraw/zinc/06/21/54/642062154.db2.gz WKVKFPHOPAVVCD-XSLAGTTESA-N 2 1 376.563 0.872 20 0 GCADMP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843362576 642368359 /nfs/dbraw/zinc/36/83/59/642368359.db2.gz KHZVJCRUTMFSRQ-CVEARBPZSA-N 2 1 375.535 0.018 20 0 GCADMP COCCS(=O)(=O)CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843362576 642368366 /nfs/dbraw/zinc/36/83/66/642368366.db2.gz KHZVJCRUTMFSRQ-CVEARBPZSA-N 2 1 375.535 0.018 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)CCO1 ZINC000662950355 1192165875 /nfs/dbraw/zinc/16/58/75/1192165875.db2.gz GTTHAPLHESVOSO-QXAKKESOSA-N 2 1 388.512 0.336 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662963924 1192172728 /nfs/dbraw/zinc/17/27/28/1192172728.db2.gz ZPRANSGKADKDTP-SFHVURJKSA-N 2 1 394.560 0.794 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000662972401 1192173697 /nfs/dbraw/zinc/17/36/97/1192173697.db2.gz VZTDVPUDFQBOOT-DENIHFKCSA-N 2 1 384.524 0.974 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000500437431 1192177375 /nfs/dbraw/zinc/17/73/75/1192177375.db2.gz VPOOJTSRFQEEDE-DLBZAZTESA-N 2 1 382.549 0.840 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018133 1192186073 /nfs/dbraw/zinc/18/60/73/1192186073.db2.gz ORSWYKTWVKVBRW-DOTOQJQBSA-N 2 1 376.505 0.246 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000663018133 1192186076 /nfs/dbraw/zinc/18/60/76/1192186076.db2.gz ORSWYKTWVKVBRW-DOTOQJQBSA-N 2 1 376.505 0.246 20 0 GCADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)N3CCN(c4cnccn4)CC3)C2)C1 ZINC000652349667 1192200389 /nfs/dbraw/zinc/20/03/89/1192200389.db2.gz YNGCAYIUBNAZLT-KURKYZTESA-N 2 1 388.516 0.344 20 0 GCADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(=O)N1CCCCC1 ZINC000652362859 1192203817 /nfs/dbraw/zinc/20/38/17/1192203817.db2.gz RGUVUVRQARXUER-WNRNVDISSA-N 2 1 380.533 0.864 20 0 GCADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(=O)N1CCCCC1 ZINC000652362859 1192203818 /nfs/dbraw/zinc/20/38/18/1192203818.db2.gz RGUVUVRQARXUER-WNRNVDISSA-N 2 1 380.533 0.864 20 0 GCADMP CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000652362846 1192204039 /nfs/dbraw/zinc/20/40/39/1192204039.db2.gz RDTHJPDYMUCUMQ-SOAMZJECSA-N 2 1 388.512 0.951 20 0 GCADMP CNC(=O)[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000652362846 1192204042 /nfs/dbraw/zinc/20/40/42/1192204042.db2.gz RDTHJPDYMUCUMQ-SOAMZJECSA-N 2 1 388.512 0.951 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000423396803 1192207659 /nfs/dbraw/zinc/20/76/59/1192207659.db2.gz SPQFQWYODZLJII-QFIPXVFZSA-N 2 1 399.539 0.622 20 0 GCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000652432952 1192221585 /nfs/dbraw/zinc/22/15/85/1192221585.db2.gz JESNSTGVXUOCTC-IBGZPJMESA-N 3 1 393.576 0.558 20 0 GCADMP CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000652432952 1192221590 /nfs/dbraw/zinc/22/15/90/1192221590.db2.gz JESNSTGVXUOCTC-IBGZPJMESA-N 3 1 393.576 0.558 20 0 GCADMP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[N@H+](C)CCN3C)C2)cc1 ZINC000636702841 1192272586 /nfs/dbraw/zinc/27/25/86/1192272586.db2.gz ZUBPGDSTGAIDTN-RBUKOAKNSA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702841 1192272590 /nfs/dbraw/zinc/27/25/90/1192272590.db2.gz ZUBPGDSTGAIDTN-RBUKOAKNSA-N 2 1 387.528 0.048 20 0 GCADMP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NC[C@@H]3C[NH+](C)CCN3C)C2)cc1 ZINC000636702841 1192272595 /nfs/dbraw/zinc/27/25/95/1192272595.db2.gz ZUBPGDSTGAIDTN-RBUKOAKNSA-N 2 1 387.528 0.048 20 0 GCADMP CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000662263540 1192273039 /nfs/dbraw/zinc/27/30/39/1192273039.db2.gz CCIUKFJRAGEGCG-WMZOPIPTSA-N 2 1 394.541 0.675 20 0 GCADMP CC(C)(C)n1nnc(CC[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279965 1192275766 /nfs/dbraw/zinc/27/57/66/1192275766.db2.gz BNFJXAUFYDXEJF-HUUCEWRRSA-N 2 1 376.509 0.191 20 0 GCADMP CC(C)(C)n1nnc(CC[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)n1 ZINC000662279965 1192275768 /nfs/dbraw/zinc/27/57/68/1192275768.db2.gz BNFJXAUFYDXEJF-HUUCEWRRSA-N 2 1 376.509 0.191 20 0 GCADMP O=C(CC[N@H+]1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000662309532 1192282409 /nfs/dbraw/zinc/28/24/09/1192282409.db2.gz AAQTYSVIVJEWHP-KRWDZBQOSA-N 2 1 380.514 0.715 20 0 GCADMP COCCN(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000662315612 1192282765 /nfs/dbraw/zinc/28/27/65/1192282765.db2.gz SMGQBWMKUSYHRV-BRWVUGGUSA-N 2 1 389.562 0.488 20 0 GCADMP COCCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000662315612 1192282769 /nfs/dbraw/zinc/28/27/69/1192282769.db2.gz SMGQBWMKUSYHRV-BRWVUGGUSA-N 2 1 389.562 0.488 20 0 GCADMP CN1CCN(C(=O)CC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338994 1192284944 /nfs/dbraw/zinc/28/49/44/1192284944.db2.gz YTXKCJWVCYPYLF-KRWDZBQOSA-N 2 1 389.548 0.163 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338994 1192284947 /nfs/dbraw/zinc/28/49/47/1192284947.db2.gz YTXKCJWVCYPYLF-KRWDZBQOSA-N 3 1 389.548 0.163 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC1 ZINC000662338994 1192284949 /nfs/dbraw/zinc/28/49/49/1192284949.db2.gz YTXKCJWVCYPYLF-KRWDZBQOSA-N 3 1 389.548 0.163 20 0 GCADMP CC(C)(C)n1nnc(CC[N@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662338928 1192285167 /nfs/dbraw/zinc/28/51/67/1192285167.db2.gz WZKOLEIXQVMNLZ-HNNXBMFYSA-N 2 1 387.536 0.983 20 0 GCADMP Cn1c(=O)cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n(C)c1=O ZINC000662329215 1192285958 /nfs/dbraw/zinc/28/59/58/1192285958.db2.gz ZTPINMDBZWGNRI-UHFFFAOYSA-N 2 1 386.500 0.654 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000330264522 1192295229 /nfs/dbraw/zinc/29/52/29/1192295229.db2.gz YAZQAHKUUUFFOI-IPMKNSEASA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000330264522 1192295233 /nfs/dbraw/zinc/29/52/33/1192295233.db2.gz YAZQAHKUUUFFOI-IPMKNSEASA-N 2 1 392.544 0.642 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662463271 1192300218 /nfs/dbraw/zinc/30/02/18/1192300218.db2.gz TXXIQQGWNXFLHL-MRXNPFEDSA-N 2 1 377.489 0.278 20 0 GCADMP O=c1onc(-c2ccccc2)n1C[C@@H](O)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663362762 1192303768 /nfs/dbraw/zinc/30/37/68/1192303768.db2.gz CUPLESUPIJFCEJ-ROUUACIJSA-N 2 1 388.468 0.707 20 0 GCADMP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678135 1192325996 /nfs/dbraw/zinc/32/59/96/1192325996.db2.gz BNKCBQHZYHCTBZ-ROUUACIJSA-N 2 1 390.484 0.327 20 0 GCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678136 1192326133 /nfs/dbraw/zinc/32/61/33/1192326133.db2.gz BNKCBQHZYHCTBZ-ZWKOTPCHSA-N 2 1 390.484 0.327 20 0 GCADMP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678219 1192326249 /nfs/dbraw/zinc/32/62/49/1192326249.db2.gz CRKKGHMQNXKBJU-WMLDXEAASA-N 2 1 394.447 0.789 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)NC3CC([NH+]4CCCCC4)C3)CC2)CCO1 ZINC000511981613 1192332140 /nfs/dbraw/zinc/33/21/40/1192332140.db2.gz ITFBMEQQPLNYGF-MUYFXNHWSA-N 2 1 392.544 0.831 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000051707875 1192338664 /nfs/dbraw/zinc/33/86/64/1192338664.db2.gz KCPCDEHNVNNSKH-UHFFFAOYSA-N 2 1 381.565 0.463 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000051707875 1192338669 /nfs/dbraw/zinc/33/86/69/1192338669.db2.gz KCPCDEHNVNNSKH-UHFFFAOYSA-N 2 1 381.565 0.463 20 0 GCADMP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)C[C@@H]1O ZINC000663448905 1192340759 /nfs/dbraw/zinc/34/07/59/1192340759.db2.gz MGFCEUQCAYJSQY-JYJNAYRXSA-N 2 1 381.546 0.353 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000563151956 1192367739 /nfs/dbraw/zinc/36/77/39/1192367739.db2.gz ASXWMXJYBUMDKG-UHFFFAOYSA-N 2 1 382.549 0.624 20 0 GCADMP C[NH+](CCCO)C1CCN(C(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000563151956 1192367744 /nfs/dbraw/zinc/36/77/44/1192367744.db2.gz ASXWMXJYBUMDKG-UHFFFAOYSA-N 2 1 382.549 0.624 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccco1 ZINC000652665931 1192377972 /nfs/dbraw/zinc/37/79/72/1192377972.db2.gz VTPCSYNHWOSRFS-BVIKNXMNSA-N 2 1 392.500 0.743 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000643527677 1192379505 /nfs/dbraw/zinc/37/95/05/1192379505.db2.gz QUIKWLMXJDIZIY-RHSMWYFYSA-N 2 1 376.457 0.334 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1)[NH+]1CCN(C)CC1 ZINC000663561621 1192390002 /nfs/dbraw/zinc/39/00/02/1192390002.db2.gz UPNKVKILQBCSCV-RBUKOAKNSA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)N1CC[NH+](C)CC1 ZINC000663561621 1192390004 /nfs/dbraw/zinc/39/00/04/1192390004.db2.gz UPNKVKILQBCSCV-RBUKOAKNSA-N 2 1 381.565 0.499 20 0 GCADMP CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000663647308 1192444201 /nfs/dbraw/zinc/44/42/01/1192444201.db2.gz VSDPYAYRBIDXQS-HNNXBMFYSA-N 2 1 399.561 0.666 20 0 GCADMP CNS(=O)(=O)c1cccc(CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000663647308 1192444204 /nfs/dbraw/zinc/44/42/04/1192444204.db2.gz VSDPYAYRBIDXQS-HNNXBMFYSA-N 2 1 399.561 0.666 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000981641196 1192458234 /nfs/dbraw/zinc/45/82/34/1192458234.db2.gz JKBSRHRJHQKKKL-YYIAUSFCSA-N 2 1 378.517 0.202 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)O1 ZINC000981641196 1192458241 /nfs/dbraw/zinc/45/82/41/1192458241.db2.gz JKBSRHRJHQKKKL-YYIAUSFCSA-N 2 1 378.517 0.202 20 0 GCADMP CC1(O)CCN(c2cc(N3CCC([N@H+]4CCC[C@H]4C(N)=O)CC3)ncn2)CC1 ZINC000663739852 1192519303 /nfs/dbraw/zinc/51/93/03/1192519303.db2.gz PHJKPJMLOJEXHB-INIZCTEOSA-N 2 1 388.516 0.746 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187413469 1192588489 /nfs/dbraw/zinc/58/84/89/1192588489.db2.gz VUFGFVYPAFWBBW-SFHVURJKSA-N 2 1 383.581 0.891 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187413469 1192588493 /nfs/dbraw/zinc/58/84/93/1192588493.db2.gz VUFGFVYPAFWBBW-SFHVURJKSA-N 2 1 383.581 0.891 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187413469 1192588496 /nfs/dbraw/zinc/58/84/96/1192588496.db2.gz VUFGFVYPAFWBBW-SFHVURJKSA-N 2 1 383.581 0.891 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000279744959 1192595963 /nfs/dbraw/zinc/59/59/63/1192595963.db2.gz PNOUJHUZZBYDJD-UHFFFAOYSA-N 2 1 381.542 0.991 20 0 GCADMP C[NH+](C)CCOc1cc(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)ccn1 ZINC000512284430 1192598706 /nfs/dbraw/zinc/59/87/06/1192598706.db2.gz YNFACGGYWUMINN-INIZCTEOSA-N 2 1 377.489 0.339 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(N)(=O)=O)cn1C ZINC000512343254 1192616745 /nfs/dbraw/zinc/61/67/45/1192616745.db2.gz ONXISJRIOPSBMH-AWEZNQCLSA-N 2 1 385.534 0.161 20 0 GCADMP COCC1(CNC(=O)NC[C@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618926 1192619350 /nfs/dbraw/zinc/61/93/50/1192619350.db2.gz BAWMAFRSFYGKET-MOPGFXCFSA-N 2 1 390.528 0.937 20 0 GCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)Cc1ccccc1 ZINC000418673417 1192628601 /nfs/dbraw/zinc/62/86/01/1192628601.db2.gz OULVPKRJPOEQSS-PMOLBWCYSA-N 2 1 399.539 0.874 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000418752056 1192639207 /nfs/dbraw/zinc/63/92/07/1192639207.db2.gz BEGAKENUPDOHRB-FQEVSTJZSA-N 2 1 388.560 0.349 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418752486 1192639854 /nfs/dbraw/zinc/63/98/54/1192639854.db2.gz BVVBSQOKNXBVLH-QRVBRYPASA-N 2 1 375.517 0.072 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000418803681 1192649467 /nfs/dbraw/zinc/64/94/67/1192649467.db2.gz YURNBALQRUCWFY-AWEZNQCLSA-N 2 1 382.427 0.661 20 0 GCADMP CCCN(C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000418832219 1192659221 /nfs/dbraw/zinc/65/92/21/1192659221.db2.gz LYJHXVWDPWIESO-QGZVFWFLSA-N 2 1 380.533 0.738 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000418833854 1192660056 /nfs/dbraw/zinc/66/00/56/1192660056.db2.gz IPVUOWRXBQKEMN-HPFXQQBRSA-N 2 1 388.512 0.918 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418832385 1192660064 /nfs/dbraw/zinc/66/00/64/1192660064.db2.gz HDMLFDWCUOIOTF-ZOBUZTSGSA-N 2 1 376.501 0.918 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418833855 1192660186 /nfs/dbraw/zinc/66/01/86/1192660186.db2.gz IPVUOWRXBQKEMN-KONPQCLYSA-N 2 1 388.512 0.918 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000418835464 1192661268 /nfs/dbraw/zinc/66/12/68/1192661268.db2.gz PPEBMYTXPZQCOE-IRXDYDNUSA-N 2 1 380.533 0.724 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)n1C ZINC000418854108 1192666997 /nfs/dbraw/zinc/66/69/97/1192666997.db2.gz KQIGBPBAOXEXQW-GOEBONIOSA-N 2 1 388.447 0.195 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)[NH+](C)C ZINC000418856751 1192668858 /nfs/dbraw/zinc/66/88/58/1192668858.db2.gz XNTMBKSBPCSWGF-RHSMWYFYSA-N 2 1 376.501 1.000 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)n1C ZINC000418857764 1192669764 /nfs/dbraw/zinc/66/97/64/1192669764.db2.gz TWNOOUMSMNBGOZ-ZBFHGGJFSA-N 2 1 376.505 0.483 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)n1C ZINC000418857758 1192670048 /nfs/dbraw/zinc/67/00/48/1192670048.db2.gz TWNOOUMSMNBGOZ-GDBMZVCRSA-N 2 1 376.505 0.483 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000418862300 1192671020 /nfs/dbraw/zinc/67/10/20/1192671020.db2.gz AMOXVJXUVSYBRM-JKQORVJESA-N 2 1 380.533 0.985 20 0 GCADMP CCCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CC[NH2+]C1 ZINC000418883889 1192678977 /nfs/dbraw/zinc/67/89/77/1192678977.db2.gz VUMYTBASSUYGOG-RBUKOAKNSA-N 2 1 388.512 0.470 20 0 GCADMP CCCN(C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000418883887 1192679293 /nfs/dbraw/zinc/67/92/93/1192679293.db2.gz VUMYTBASSUYGOG-MOPGFXCFSA-N 2 1 388.512 0.470 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418878950 1192674671 /nfs/dbraw/zinc/67/46/71/1192674671.db2.gz MOYXNOLSOBDHLL-IPELMVKDSA-N 2 1 388.512 0.598 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418875655 1192675517 /nfs/dbraw/zinc/67/55/17/1192675517.db2.gz DRXGNLNWNHZEHW-KFKAGJAMSA-N 2 1 388.512 0.503 20 0 GCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000418910650 1192687628 /nfs/dbraw/zinc/68/76/28/1192687628.db2.gz KFSGHVFFTZTMGG-KRWDZBQOSA-N 2 1 388.512 0.641 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000418913421 1192690380 /nfs/dbraw/zinc/69/03/80/1192690380.db2.gz DYBDQGBYNPXXCG-IBGZPJMESA-N 2 1 390.528 0.837 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc(OC)c1 ZINC000418942090 1192696605 /nfs/dbraw/zinc/69/66/05/1192696605.db2.gz AAJGRWKEMPULRX-HNNXBMFYSA-N 2 1 390.484 0.392 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCC3)C2)cc(OC)c1 ZINC000418942090 1192696609 /nfs/dbraw/zinc/69/66/09/1192696609.db2.gz AAJGRWKEMPULRX-HNNXBMFYSA-N 2 1 390.484 0.392 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000418948849 1192698994 /nfs/dbraw/zinc/69/89/94/1192698994.db2.gz OVUKFKYSXABQLV-VYDXJSESSA-N 2 1 376.501 0.852 20 0 GCADMP CC1(C)CN(c2cnc(N3CC[N@@H+](CCO)C(C)(C)C3)cn2)CC[NH+]1CCO ZINC000663833228 1192699888 /nfs/dbraw/zinc/69/98/88/1192699888.db2.gz PDFNOLKHHPWONS-UHFFFAOYSA-N 2 1 392.548 0.262 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957004 1192701784 /nfs/dbraw/zinc/70/17/84/1192701784.db2.gz DAETTYUIUVAJTK-HZPDHXFCSA-N 2 1 390.484 0.215 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3cc(OC)cc(OC)c3)C2)C1 ZINC000418957004 1192701785 /nfs/dbraw/zinc/70/17/85/1192701785.db2.gz DAETTYUIUVAJTK-HZPDHXFCSA-N 2 1 390.484 0.215 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000418960962 1192702702 /nfs/dbraw/zinc/70/27/02/1192702702.db2.gz JJFDJIMADNZEOC-RYQLBKOJSA-N 2 1 376.501 0.588 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964261 1192703600 /nfs/dbraw/zinc/70/36/00/1192703600.db2.gz NCCBJNAYDDFCDZ-ZFWWWQNUSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C)CC[NH3+])C2)cc(OC)c1 ZINC000418964261 1192703603 /nfs/dbraw/zinc/70/36/03/1192703603.db2.gz NCCBJNAYDDFCDZ-ZFWWWQNUSA-N 2 1 378.473 0.248 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965363 1192703755 /nfs/dbraw/zinc/70/37/55/1192703755.db2.gz OTALIAVAKOCOMO-YJBOKZPZSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)C2)cc(OC)c1 ZINC000418965363 1192703758 /nfs/dbraw/zinc/70/37/58/1192703758.db2.gz OTALIAVAKOCOMO-YJBOKZPZSA-N 2 1 390.484 0.248 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000418996788 1192712117 /nfs/dbraw/zinc/71/21/17/1192712117.db2.gz KOAUFIUMCOQRRR-DOTOQJQBSA-N 2 1 376.501 0.854 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419010968 1192717371 /nfs/dbraw/zinc/71/73/71/1192717371.db2.gz ZJAAZQDYWWVIEV-ZWKOTPCHSA-N 2 1 376.501 0.589 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000419037588 1192736106 /nfs/dbraw/zinc/73/61/06/1192736106.db2.gz ISEOBXFLURUZNI-KURKYZTESA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410592312 1192736591 /nfs/dbraw/zinc/73/65/91/1192736591.db2.gz YJBGNCPPCICQFB-JFIYKMOQSA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[N@@H+]4C[C@H]3C)CC2)CCO1 ZINC000410592312 1192736595 /nfs/dbraw/zinc/73/65/95/1192736595.db2.gz YJBGNCPPCICQFB-JFIYKMOQSA-N 2 1 378.517 0.393 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCC[N@H+]4C[C@H]3C)CC2)CCO1 ZINC000410592312 1192736597 /nfs/dbraw/zinc/73/65/97/1192736597.db2.gz YJBGNCPPCICQFB-JFIYKMOQSA-N 2 1 378.517 0.393 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H](C)C1 ZINC000419040500 1192737344 /nfs/dbraw/zinc/73/73/44/1192737344.db2.gz MPSRPPOMQHIBBO-BDXSIMOUSA-N 2 1 380.533 0.593 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000419057642 1192751264 /nfs/dbraw/zinc/75/12/64/1192751264.db2.gz OOAITJFLLHMPFI-NXWXRZEISA-N 2 1 388.512 0.445 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419056227 1192753187 /nfs/dbraw/zinc/75/31/87/1192753187.db2.gz LAACTECIGGRZNY-KBAYOESNSA-N 2 1 376.501 0.351 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000419059923 1192756275 /nfs/dbraw/zinc/75/62/75/1192756275.db2.gz SDIIEQAAYHSVGK-QXAKKESOSA-N 2 1 388.512 0.460 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419064310 1192759568 /nfs/dbraw/zinc/75/95/68/1192759568.db2.gz BZYZWXPRTMQDSP-HNNXBMFYSA-N 2 1 395.935 0.774 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000419065076 1192761260 /nfs/dbraw/zinc/76/12/60/1192761260.db2.gz YWKJKVFKZKWEFS-CEXWTWQISA-N 2 1 388.512 0.493 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419064871 1192761388 /nfs/dbraw/zinc/76/13/88/1192761388.db2.gz CQLQJBIUPHYTMN-CVEARBPZSA-N 2 1 376.501 0.495 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419064871 1192761391 /nfs/dbraw/zinc/76/13/91/1192761391.db2.gz CQLQJBIUPHYTMN-CVEARBPZSA-N 2 1 376.501 0.495 20 0 GCADMP [NH3+][C@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(c3ccccc3Cl)CC2)C1 ZINC000419067195 1192762494 /nfs/dbraw/zinc/76/24/94/1192762494.db2.gz FZTXCKDPZUEHFK-HNNXBMFYSA-N 2 1 393.919 0.528 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000419074227 1192771510 /nfs/dbraw/zinc/77/15/10/1192771510.db2.gz NJQJPJQWAUOHJX-MAUKXSAKSA-N 2 1 376.501 0.623 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000419074227 1192771512 /nfs/dbraw/zinc/77/15/12/1192771512.db2.gz NJQJPJQWAUOHJX-MAUKXSAKSA-N 2 1 376.501 0.623 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C[C@@H](C)[NH2+]1 ZINC000419078558 1192775589 /nfs/dbraw/zinc/77/55/89/1192775589.db2.gz SUNGQZSCMJTMNU-ZACQAIPSSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C[C@@H](C)[NH2+]1 ZINC000419078558 1192775593 /nfs/dbraw/zinc/77/55/93/1192775593.db2.gz SUNGQZSCMJTMNU-ZACQAIPSSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@H](C)O1 ZINC000419086097 1192783045 /nfs/dbraw/zinc/78/30/45/1192783045.db2.gz NKYWEHQYTWGYNY-HOTGVXAUSA-N 2 1 398.548 0.347 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N2CCC(OCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000419086098 1192783116 /nfs/dbraw/zinc/78/31/16/1192783116.db2.gz NKYWEHQYTWGYNY-HZPDHXFCSA-N 2 1 398.548 0.347 20 0 GCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100302 1192785743 /nfs/dbraw/zinc/78/57/43/1192785743.db2.gz PSSYUZBMNQLSCT-CABCVRRESA-N 2 1 384.402 0.956 20 0 GCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100302 1192785744 /nfs/dbraw/zinc/78/57/44/1192785744.db2.gz PSSYUZBMNQLSCT-CABCVRRESA-N 2 1 384.402 0.956 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000419098725 1192785755 /nfs/dbraw/zinc/78/57/55/1192785755.db2.gz HGSKJJLCZGVBRI-RHSMWYFYSA-N 2 1 380.439 0.737 20 0 GCADMP Cc1ccc(NCCCNC(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)[nH+]c1 ZINC000419105794 1192789001 /nfs/dbraw/zinc/78/90/01/1192789001.db2.gz VEYBRJQLPZRRJP-ZWKOTPCHSA-N 2 1 399.470 1.401 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])[NH+]1CCOCC1 ZINC000419109325 1192790126 /nfs/dbraw/zinc/79/01/26/1192790126.db2.gz ATJCFYRRSOWDDN-NXHRZFHOSA-N 2 1 382.549 0.825 20 0 GCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419104813 1192792498 /nfs/dbraw/zinc/79/24/98/1192792498.db2.gz USFHCOJPWAKCJU-OAHLLOKOSA-N 2 1 384.402 0.732 20 0 GCADMP O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000419104813 1192792503 /nfs/dbraw/zinc/79/25/03/1192792503.db2.gz USFHCOJPWAKCJU-OAHLLOKOSA-N 2 1 384.402 0.732 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2)[NH+]1CCOCC1 ZINC000419120353 1192793613 /nfs/dbraw/zinc/79/36/13/1192793613.db2.gz QFEGLDFPGIKIBR-GOSISDBHSA-N 2 1 394.560 0.842 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419121017 1192794133 /nfs/dbraw/zinc/79/41/33/1192794133.db2.gz RDEKRKCAFJPOBH-SZMVWBNQSA-N 2 1 382.549 0.825 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419110957 1192798606 /nfs/dbraw/zinc/79/86/06/1192798606.db2.gz SSOJEPRPPRBPKM-MSOLQXFVSA-N 2 1 388.512 0.589 20 0 GCADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419110959 1192798657 /nfs/dbraw/zinc/79/86/57/1192798657.db2.gz SSOJEPRPPRBPKM-QZTJIDSGSA-N 2 1 388.512 0.589 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1)[NH+]1CCOCC1 ZINC000419114025 1192800386 /nfs/dbraw/zinc/80/03/86/1192800386.db2.gz HKONOVGDRMTHPP-WMZOPIPTSA-N 2 1 382.549 0.698 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118558 1192801909 /nfs/dbraw/zinc/80/19/09/1192801909.db2.gz NZMUIQNXBMTCNX-FXAWDEMLSA-N 2 1 382.549 0.746 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419131506 1192805856 /nfs/dbraw/zinc/80/58/56/1192805856.db2.gz AGXFFFHPFNOSOI-SJLPKXTDSA-N 2 1 376.501 0.508 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419137201 1192809347 /nfs/dbraw/zinc/80/93/47/1192809347.db2.gz QHDFNWADXBDSLL-CEXWTWQISA-N 2 1 388.512 0.732 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCO1 ZINC000419154272 1192811596 /nfs/dbraw/zinc/81/15/96/1192811596.db2.gz RBGONPCHVJEBIB-CABCVRRESA-N 2 1 380.514 0.262 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419161670 1192820472 /nfs/dbraw/zinc/82/04/72/1192820472.db2.gz FAUFSADPXUNKHF-RTBURBONSA-N 2 1 388.512 0.604 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419164364 1192821870 /nfs/dbraw/zinc/82/18/70/1192821870.db2.gz LSYDIEKNNPVGNO-QXAKKESOSA-N 2 1 388.512 0.589 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H](C)[NH2+]1 ZINC000419166086 1192822285 /nfs/dbraw/zinc/82/22/85/1192822285.db2.gz OFOPWQVMZFHZKP-LMMKCTJWSA-N 2 1 388.512 0.603 20 0 GCADMP O=C(NCC[C@@H]1CC[NH2+]C1)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000419165303 1192822667 /nfs/dbraw/zinc/82/26/67/1192822667.db2.gz NILSWADMZLPTFD-PKOBYXMFSA-N 2 1 388.512 0.510 20 0 GCADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419156030 1192825047 /nfs/dbraw/zinc/82/50/47/1192825047.db2.gz BRGPQQCOOFVHKN-RBUKOAKNSA-N 2 1 390.528 0.835 20 0 GCADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000419174234 1192827291 /nfs/dbraw/zinc/82/72/91/1192827291.db2.gz VBBVHICDVCQYTC-SIKLNZKXSA-N 2 1 384.524 0.879 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[C@H]1[NH3+] ZINC000419168357 1192828987 /nfs/dbraw/zinc/82/89/87/1192828987.db2.gz RSQAKNYAORHXGB-NZSAHSFTSA-N 2 1 388.512 0.589 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419177690 1192829616 /nfs/dbraw/zinc/82/96/16/1192829616.db2.gz FBQIEZVVHUHVKJ-KZNAEPCWSA-N 2 1 380.533 0.864 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000419190022 1192830908 /nfs/dbraw/zinc/83/09/08/1192830908.db2.gz MEXUYNMJPXQBMV-UHFFFAOYSA-N 2 1 389.544 0.506 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419191517 1192831322 /nfs/dbraw/zinc/83/13/22/1192831322.db2.gz OFAFADUMPJKVKV-UHFFFAOYSA-N 2 1 381.565 0.557 20 0 GCADMP C[C@H](CCNC(=O)C(=O)NCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000419197569 1192834164 /nfs/dbraw/zinc/83/41/64/1192834164.db2.gz KKZIEMZUYKGJCB-QGZVFWFLSA-N 2 1 375.517 0.035 20 0 GCADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410698008 1192836717 /nfs/dbraw/zinc/83/67/17/1192836717.db2.gz MKDOZWJRYQYXIY-ZHALLVOQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410698008 1192836720 /nfs/dbraw/zinc/83/67/20/1192836720.db2.gz MKDOZWJRYQYXIY-ZHALLVOQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[N@@H+]4C[C@H]3C)CC2)CCO1 ZINC000410698008 1192836729 /nfs/dbraw/zinc/83/67/29/1192836729.db2.gz MKDOZWJRYQYXIY-ZHALLVOQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@H]4CCCC[N@H+]4C[C@H]3C)CC2)CCO1 ZINC000410698008 1192836735 /nfs/dbraw/zinc/83/67/35/1192836735.db2.gz MKDOZWJRYQYXIY-ZHALLVOQSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N[C@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000419198368 1192836855 /nfs/dbraw/zinc/83/68/55/1192836855.db2.gz CHOPTEKNOGQYIU-ZRGWGRIASA-N 2 1 388.512 0.766 20 0 GCADMP C[C@@H]1C[N@@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410698005 1192836869 /nfs/dbraw/zinc/83/68/69/1192836869.db2.gz MKDOZWJRYQYXIY-LMMKCTJWSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[NH+]4C[C@H]3C)CC2)CCO1 ZINC000410698005 1192836871 /nfs/dbraw/zinc/83/68/71/1192836871.db2.gz MKDOZWJRYQYXIY-LMMKCTJWSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[N@@H+]4C[C@H]3C)CC2)CCO1 ZINC000410698005 1192836875 /nfs/dbraw/zinc/83/68/75/1192836875.db2.gz MKDOZWJRYQYXIY-LMMKCTJWSA-N 2 1 392.544 0.783 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3C[C@@H]4CCCC[N@H+]4C[C@H]3C)CC2)CCO1 ZINC000410698005 1192836876 /nfs/dbraw/zinc/83/68/76/1192836876.db2.gz MKDOZWJRYQYXIY-LMMKCTJWSA-N 2 1 392.544 0.783 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000410726587 1192863712 /nfs/dbraw/zinc/86/37/12/1192863712.db2.gz WGZKNYYTLIJENO-KURKYZTESA-N 2 1 380.533 0.498 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000410726587 1192863718 /nfs/dbraw/zinc/86/37/18/1192863718.db2.gz WGZKNYYTLIJENO-KURKYZTESA-N 2 1 380.533 0.498 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC[N@@H+]1C ZINC000410728605 1192883587 /nfs/dbraw/zinc/88/35/87/1192883587.db2.gz FTHACZRLFDDFTL-QYZOEREBSA-N 2 1 393.576 0.269 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC[N@H+]1C ZINC000410728605 1192883593 /nfs/dbraw/zinc/88/35/93/1192883593.db2.gz FTHACZRLFDDFTL-QYZOEREBSA-N 2 1 393.576 0.269 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212252 1192902071 /nfs/dbraw/zinc/90/20/71/1192902071.db2.gz UNXNVPVFBNNHSZ-QWHCGFSZSA-N 2 1 382.427 0.342 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])CCC(F)(F)F ZINC000419212252 1192902072 /nfs/dbraw/zinc/90/20/72/1192902072.db2.gz UNXNVPVFBNNHSZ-QWHCGFSZSA-N 2 1 382.427 0.342 20 0 GCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000410837307 1192907081 /nfs/dbraw/zinc/90/70/81/1192907081.db2.gz UWMMVLGRLPCGNN-QGZVFWFLSA-N 2 1 382.549 0.603 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000410837307 1192907084 /nfs/dbraw/zinc/90/70/84/1192907084.db2.gz UWMMVLGRLPCGNN-QGZVFWFLSA-N 2 1 382.549 0.603 20 0 GCADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000410844203 1192907923 /nfs/dbraw/zinc/90/79/23/1192907923.db2.gz SOOROWYUSDUODV-PKOBYXMFSA-N 2 1 385.512 0.919 20 0 GCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512584408 1192911756 /nfs/dbraw/zinc/91/17/56/1192911756.db2.gz XYJAGVOFZNUGMU-KDURUIRLSA-N 2 1 383.581 0.939 20 0 GCADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512584408 1192911757 /nfs/dbraw/zinc/91/17/57/1192911757.db2.gz XYJAGVOFZNUGMU-KDURUIRLSA-N 2 1 383.581 0.939 20 0 GCADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512584408 1192911760 /nfs/dbraw/zinc/91/17/60/1192911760.db2.gz XYJAGVOFZNUGMU-KDURUIRLSA-N 2 1 383.581 0.939 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C(=O)N3CCC[C@@H]3C[NH3+])cc2)C[C@H](C)O1 ZINC000419220176 1192920980 /nfs/dbraw/zinc/92/09/80/1192920980.db2.gz URUPATJOHZHNMD-JTDSTZFVSA-N 2 1 388.512 0.862 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410989907 1192922591 /nfs/dbraw/zinc/92/25/91/1192922591.db2.gz SDKBTFBZVHJJNS-SJLPKXTDSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410989907 1192922592 /nfs/dbraw/zinc/92/25/92/1192922592.db2.gz SDKBTFBZVHJJNS-SJLPKXTDSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000410989907 1192922593 /nfs/dbraw/zinc/92/25/93/1192922593.db2.gz SDKBTFBZVHJJNS-SJLPKXTDSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000410989907 1192922594 /nfs/dbraw/zinc/92/25/94/1192922594.db2.gz SDKBTFBZVHJJNS-SJLPKXTDSA-N 2 1 379.549 0.023 20 0 GCADMP CN(CC[NH+](C)C1CCN(C)CC1)C(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000410989907 1192922595 /nfs/dbraw/zinc/92/25/95/1192922595.db2.gz SDKBTFBZVHJJNS-SJLPKXTDSA-N 2 1 379.549 0.023 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594080 1184112588 /nfs/dbraw/zinc/11/25/88/1184112588.db2.gz KSBCLHOCWJGDBL-NVXWUHKLSA-N 2 1 382.530 0.406 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1)c1ccccc1 ZINC000274594080 1184112589 /nfs/dbraw/zinc/11/25/89/1184112589.db2.gz KSBCLHOCWJGDBL-NVXWUHKLSA-N 2 1 382.530 0.406 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000274675746 1184178002 /nfs/dbraw/zinc/17/80/02/1184178002.db2.gz PZOSKNKZUVIDNF-UHFFFAOYSA-N 2 1 379.505 0.091 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000274700952 1184196490 /nfs/dbraw/zinc/19/64/90/1184196490.db2.gz XWFMBCBGTQMEIJ-QGZVFWFLSA-N 2 1 394.516 0.892 20 0 GCADMP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700952 1184196496 /nfs/dbraw/zinc/19/64/96/1184196496.db2.gz XWFMBCBGTQMEIJ-QGZVFWFLSA-N 2 1 394.516 0.892 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700952 1184196501 /nfs/dbraw/zinc/19/65/01/1184196501.db2.gz XWFMBCBGTQMEIJ-QGZVFWFLSA-N 2 1 394.516 0.892 20 0 GCADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700952 1184196507 /nfs/dbraw/zinc/19/65/07/1184196507.db2.gz XWFMBCBGTQMEIJ-QGZVFWFLSA-N 2 1 394.516 0.892 20 0 GCADMP CC[NH+](CCO)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000274700952 1184196513 /nfs/dbraw/zinc/19/65/13/1184196513.db2.gz XWFMBCBGTQMEIJ-QGZVFWFLSA-N 2 1 394.516 0.892 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)[nH]n1 ZINC000616384900 1184196899 /nfs/dbraw/zinc/19/68/99/1184196899.db2.gz ZGQXORVIRTVNDD-HUUCEWRRSA-N 2 1 376.505 0.742 20 0 GCADMP O=C(Nc1ccnn1-c1cc[nH+]cc1)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000654966999 1184228912 /nfs/dbraw/zinc/22/89/12/1184228912.db2.gz XRUGKEMWLBWIOP-INIZCTEOSA-N 2 1 398.467 0.919 20 0 GCADMP CN1CC[NH2+]C[C@H]1CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000579813123 1184239174 /nfs/dbraw/zinc/23/91/74/1184239174.db2.gz NZFYOWDSLQBRRW-SFHVURJKSA-N 2 1 394.951 0.665 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CC(NS(C)(=O)=O)C3)CC2)CC1 ZINC000655059756 1184272720 /nfs/dbraw/zinc/27/27/20/1184272720.db2.gz LUUZTGZDEPZKFP-UHFFFAOYSA-N 2 1 386.562 0.379 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000642700150 1184297377 /nfs/dbraw/zinc/29/73/77/1184297377.db2.gz ZJKAANQMTRKEKB-NEPXVJNWSA-N 2 1 388.512 0.588 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2C1 ZINC000579854436 1184340704 /nfs/dbraw/zinc/34/07/04/1184340704.db2.gz YXCGCTYBCOOBEJ-ZBFHGGJFSA-N 2 1 385.468 0.121 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000440986851 1184457901 /nfs/dbraw/zinc/45/79/01/1184457901.db2.gz OGCQAJDUBSNTES-UHFFFAOYSA-N 2 1 396.580 0.254 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)C1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655468259 1184466969 /nfs/dbraw/zinc/46/69/69/1184466969.db2.gz YEINGYASEBAWMT-NQIIRXRSSA-N 2 1 392.544 0.453 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419171793 1184572461 /nfs/dbraw/zinc/57/24/61/1184572461.db2.gz YFYYHOPCOBYFFD-QRVBRYPASA-N 2 1 388.512 0.780 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)C2)C1 ZINC000655557262 1184572912 /nfs/dbraw/zinc/57/29/12/1184572912.db2.gz UATBXRLEXYWPOU-AZUAARDMSA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557262 1184572919 /nfs/dbraw/zinc/57/29/19/1184572919.db2.gz UATBXRLEXYWPOU-AZUAARDMSA-N 2 1 379.549 0.520 20 0 GCADMP C[NH+]1CCC[C@@]2(CCN(C(=O)N[C@H]3CC[N@@H+](CCN4CCOCC4)C3)C2)C1 ZINC000655557262 1184572924 /nfs/dbraw/zinc/57/29/24/1184572924.db2.gz UATBXRLEXYWPOU-AZUAARDMSA-N 2 1 379.549 0.520 20 0 GCADMP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000275318040 1184600932 /nfs/dbraw/zinc/60/09/32/1184600932.db2.gz ZRKRGJJUTGYHRJ-UHFFFAOYSA-N 2 1 375.473 0.679 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)CC1 ZINC000275318040 1184600937 /nfs/dbraw/zinc/60/09/37/1184600937.db2.gz ZRKRGJJUTGYHRJ-UHFFFAOYSA-N 2 1 375.473 0.679 20 0 GCADMP C[NH+]1CCN(c2ncccc2CNC(=O)NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000458019109 1184724940 /nfs/dbraw/zinc/72/49/40/1184724940.db2.gz QWFCNODGSBWEGF-GOSISDBHSA-N 2 1 390.532 0.479 20 0 GCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000642729130 1184756090 /nfs/dbraw/zinc/75/60/90/1184756090.db2.gz NYLPMZZNDWLBIV-QZTJIDSGSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NC[C@H]1CCCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000642729130 1184756096 /nfs/dbraw/zinc/75/60/96/1184756096.db2.gz NYLPMZZNDWLBIV-QZTJIDSGSA-N 2 1 390.553 0.979 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393533 1184814821 /nfs/dbraw/zinc/81/48/21/1184814821.db2.gz LDRRVPFICFYYJT-KBAYOESNSA-N 2 1 396.532 0.501 20 0 GCADMP COC(=O)[C@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@@H+](C)C1 ZINC000413393515 1184814990 /nfs/dbraw/zinc/81/49/90/1184814990.db2.gz LBHDKAZELOJQFS-PVAVHDDUSA-N 2 1 382.505 0.110 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000419214114 1184823317 /nfs/dbraw/zinc/82/33/17/1184823317.db2.gz MHHCXUWTVLPZKT-IYBDPMFKSA-N 2 1 376.501 0.590 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837572 1184838103 /nfs/dbraw/zinc/83/81/03/1184838103.db2.gz VMTZWQZDZHJORJ-IAGOWNOFSA-N 2 1 389.500 0.203 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2CCN(c3cc[nH+]cc3)C2)CC1=O ZINC001648837574 1184838495 /nfs/dbraw/zinc/83/84/95/1184838495.db2.gz VMTZWQZDZHJORJ-SJORKVTESA-N 2 1 389.500 0.203 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1 ZINC000275637893 1184846436 /nfs/dbraw/zinc/84/64/36/1184846436.db2.gz MNZRMLQNYRYKOU-ROUUACIJSA-N 2 1 389.500 0.442 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000648149355 1184848707 /nfs/dbraw/zinc/84/87/07/1184848707.db2.gz VHGCJZGSXDISGJ-IBGZPJMESA-N 2 1 376.501 0.829 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642744008 1184853377 /nfs/dbraw/zinc/85/33/77/1184853377.db2.gz PKXURJRAPPTKKQ-ZWKOTPCHSA-N 2 1 387.528 0.572 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCN1CCNC1=O ZINC000891079631 1184911331 /nfs/dbraw/zinc/91/13/31/1184911331.db2.gz KSPNFCLYWXKASZ-UHFFFAOYSA-N 2 1 394.564 0.849 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000580106129 1185065892 /nfs/dbraw/zinc/06/58/92/1185065892.db2.gz DFLPBGVEPNTMRW-SJORKVTESA-N 2 1 377.489 0.192 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)CC[C@@H]21 ZINC000580165400 1185099311 /nfs/dbraw/zinc/09/93/11/1185099311.db2.gz GCDPANVURNEEAL-MOPGFXCFSA-N 2 1 392.544 0.500 20 0 GCADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000580247887 1185131382 /nfs/dbraw/zinc/13/13/82/1185131382.db2.gz QVKWORZYBPMFOG-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP CCCN(C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000580328946 1185166364 /nfs/dbraw/zinc/16/63/64/1185166364.db2.gz NSCVWMYFIPOPNG-SFHVURJKSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000580431772 1185229476 /nfs/dbraw/zinc/22/94/76/1185229476.db2.gz BWUHZRSFODLLGI-ZKXLYKBJSA-N 2 1 378.517 0.155 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000683944240 1185239315 /nfs/dbraw/zinc/23/93/15/1185239315.db2.gz ZBKXRWNNHCHEGR-SFHVURJKSA-N 2 1 394.541 0.851 20 0 GCADMP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000683944240 1185239319 /nfs/dbraw/zinc/23/93/19/1185239319.db2.gz ZBKXRWNNHCHEGR-SFHVURJKSA-N 2 1 394.541 0.851 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C(C)C ZINC000580491335 1185251416 /nfs/dbraw/zinc/25/14/16/1185251416.db2.gz JWRVTBUUNILOTQ-ZWKOTPCHSA-N 2 1 382.549 0.717 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000580737288 1185320101 /nfs/dbraw/zinc/32/01/01/1185320101.db2.gz PMCAXUQLCVLVFL-MOPGFXCFSA-N 2 1 394.560 0.813 20 0 GCADMP CS(=O)(=O)N1CCC(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634700846 1185321089 /nfs/dbraw/zinc/32/10/89/1185321089.db2.gz GIDRRYOPQULXPV-LJQANCHMSA-N 2 1 381.542 0.885 20 0 GCADMP CS(=O)(=O)N1CCC(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000634700846 1185321096 /nfs/dbraw/zinc/32/10/96/1185321096.db2.gz GIDRRYOPQULXPV-LJQANCHMSA-N 2 1 381.542 0.885 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000656284844 1185321502 /nfs/dbraw/zinc/32/15/02/1185321502.db2.gz AHQUAVRGIVHVRA-FGTMMUONSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000656284844 1185321508 /nfs/dbraw/zinc/32/15/08/1185321508.db2.gz AHQUAVRGIVHVRA-FGTMMUONSA-N 2 1 380.533 0.593 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000656284844 1185321516 /nfs/dbraw/zinc/32/15/16/1185321516.db2.gz AHQUAVRGIVHVRA-FGTMMUONSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000580741141 1185325140 /nfs/dbraw/zinc/32/51/40/1185325140.db2.gz LIDAIIXXBFWSKX-QFBILLFUSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000580741141 1185325146 /nfs/dbraw/zinc/32/51/46/1185325146.db2.gz LIDAIIXXBFWSKX-QFBILLFUSA-N 2 1 392.544 0.831 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000580741141 1185325154 /nfs/dbraw/zinc/32/51/54/1185325154.db2.gz LIDAIIXXBFWSKX-QFBILLFUSA-N 2 1 392.544 0.831 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656297008 1185355908 /nfs/dbraw/zinc/35/59/08/1185355908.db2.gz QLYDETCRBKXEBF-MOPGFXCFSA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656297008 1185355913 /nfs/dbraw/zinc/35/59/13/1185355913.db2.gz QLYDETCRBKXEBF-MOPGFXCFSA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656297008 1185355920 /nfs/dbraw/zinc/35/59/20/1185355920.db2.gz QLYDETCRBKXEBF-MOPGFXCFSA-N 2 1 393.576 0.653 20 0 GCADMP CCN1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656297011 1185355963 /nfs/dbraw/zinc/35/59/63/1185355963.db2.gz QLYDETCRBKXEBF-RTBURBONSA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000656297011 1185355965 /nfs/dbraw/zinc/35/59/65/1185355965.db2.gz QLYDETCRBKXEBF-RTBURBONSA-N 2 1 393.576 0.653 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656297011 1185355969 /nfs/dbraw/zinc/35/59/69/1185355969.db2.gz QLYDETCRBKXEBF-RTBURBONSA-N 2 1 393.576 0.653 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1c(C)c(C)nn1C ZINC000276001357 1185420873 /nfs/dbraw/zinc/42/08/73/1185420873.db2.gz KZEGBXVAFZQDSY-MRXNPFEDSA-N 2 1 378.521 0.850 20 0 GCADMP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000656327663 1185422197 /nfs/dbraw/zinc/42/21/97/1185422197.db2.gz VTJXQNXWGZWKMB-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656330544 1185427662 /nfs/dbraw/zinc/42/76/62/1185427662.db2.gz PSQZORBZLYFYDF-UHOSZYNNSA-N 2 1 392.544 0.737 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656330546 1185427714 /nfs/dbraw/zinc/42/77/14/1185427714.db2.gz PSQZORBZLYFYDF-WDSOQIARSA-N 2 1 392.544 0.737 20 0 GCADMP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000656353357 1185447615 /nfs/dbraw/zinc/44/76/15/1185447615.db2.gz AJIYOHUFHBLRPP-ROUUACIJSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000656353357 1185447622 /nfs/dbraw/zinc/44/76/22/1185447622.db2.gz AJIYOHUFHBLRPP-ROUUACIJSA-N 2 1 378.517 0.443 20 0 GCADMP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656354123 1185448315 /nfs/dbraw/zinc/44/83/15/1185448315.db2.gz FCWPMHWQZFYUCU-KSZLIROESA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000580967097 1185453392 /nfs/dbraw/zinc/45/33/92/1185453392.db2.gz AMHWIBBANJCGMX-MOPGFXCFSA-N 2 1 393.576 0.463 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356143 1185454193 /nfs/dbraw/zinc/45/41/93/1185454193.db2.gz QXALUBZYFSLZHA-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000656356143 1185454195 /nfs/dbraw/zinc/45/41/95/1185454195.db2.gz QXALUBZYFSLZHA-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656356143 1185454198 /nfs/dbraw/zinc/45/41/98/1185454198.db2.gz QXALUBZYFSLZHA-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656356143 1185454201 /nfs/dbraw/zinc/45/42/01/1185454201.db2.gz QXALUBZYFSLZHA-BRWVUGGUSA-N 2 1 380.533 0.423 20 0 GCADMP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000656355628 1185455633 /nfs/dbraw/zinc/45/56/33/1185455633.db2.gz MDTJAJNWTLATDG-KURKYZTESA-N 2 1 378.517 0.300 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000656355628 1185455636 /nfs/dbraw/zinc/45/56/36/1185455636.db2.gz MDTJAJNWTLATDG-KURKYZTESA-N 2 1 378.517 0.300 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656358551 1185460311 /nfs/dbraw/zinc/46/03/11/1185460311.db2.gz RXQDXCRNBZHTOO-IRXDYDNUSA-N 2 1 380.533 0.689 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656358551 1185460317 /nfs/dbraw/zinc/46/03/17/1185460317.db2.gz RXQDXCRNBZHTOO-IRXDYDNUSA-N 2 1 380.533 0.689 20 0 GCADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000581011546 1185468894 /nfs/dbraw/zinc/46/88/94/1185468894.db2.gz GQKRKBWSSRZPKT-HNNXBMFYSA-N 2 1 391.516 0.289 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000581063704 1185481132 /nfs/dbraw/zinc/48/11/32/1185481132.db2.gz NOSPJXDIOSKPAD-WMLDXEAASA-N 2 1 380.533 0.591 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC[C@H]21 ZINC000581078038 1185487817 /nfs/dbraw/zinc/48/78/17/1185487817.db2.gz RIFQUKZIAUYOMF-OWYHZJEWSA-N 2 1 392.544 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104345656 1185611935 /nfs/dbraw/zinc/61/19/35/1185611935.db2.gz MXFIYSUQLRMDCE-BRSBDYLESA-N 2 1 380.533 0.402 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CC(=O)N1CCCC1 ZINC001104345656 1185611938 /nfs/dbraw/zinc/61/19/38/1185611938.db2.gz MXFIYSUQLRMDCE-BRSBDYLESA-N 2 1 380.533 0.402 20 0 GCADMP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347302 1185621365 /nfs/dbraw/zinc/62/13/65/1185621365.db2.gz VODHXOWGXFJAIT-OHDICMOHSA-N 2 1 392.548 0.688 20 0 GCADMP Cc1nc(C)n(CC[NH2+]CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)n1 ZINC001104347302 1185621368 /nfs/dbraw/zinc/62/13/68/1185621368.db2.gz VODHXOWGXFJAIT-OHDICMOHSA-N 2 1 392.548 0.688 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576443 1185631430 /nfs/dbraw/zinc/63/14/30/1185631430.db2.gz XILQKNPOWWWHJF-HOSILWTGSA-N 2 1 382.530 0.959 20 0 GCADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576443 1185631438 /nfs/dbraw/zinc/63/14/38/1185631438.db2.gz XILQKNPOWWWHJF-HOSILWTGSA-N 2 1 382.530 0.959 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)C2)CC1 ZINC000581415467 1185664606 /nfs/dbraw/zinc/66/46/06/1185664606.db2.gz WCAYUBNXENVFMN-FGTMMUONSA-N 2 1 379.549 0.164 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC000581415467 1185664611 /nfs/dbraw/zinc/66/46/11/1185664611.db2.gz WCAYUBNXENVFMN-FGTMMUONSA-N 2 1 379.549 0.164 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000581420009 1185668084 /nfs/dbraw/zinc/66/80/84/1185668084.db2.gz MJLRGXVSBFJQDC-NTDBWNAOSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000581420009 1185668094 /nfs/dbraw/zinc/66/80/94/1185668094.db2.gz MJLRGXVSBFJQDC-NTDBWNAOSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)O1 ZINC000581420009 1185668103 /nfs/dbraw/zinc/66/81/03/1185668103.db2.gz MJLRGXVSBFJQDC-NTDBWNAOSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)O1 ZINC000581420009 1185668106 /nfs/dbraw/zinc/66/81/06/1185668106.db2.gz MJLRGXVSBFJQDC-NTDBWNAOSA-N 2 1 392.544 0.687 20 0 GCADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000891391864 1185678006 /nfs/dbraw/zinc/67/80/06/1185678006.db2.gz DIRUWNCSBBOGLY-WBVHZDCISA-N 2 1 389.500 0.979 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430603940 1185688586 /nfs/dbraw/zinc/68/85/86/1185688586.db2.gz OXFUVDDCACWNRH-AWEZNQCLSA-N 2 1 376.457 0.573 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000430603940 1185688592 /nfs/dbraw/zinc/68/85/92/1185688592.db2.gz OXFUVDDCACWNRH-AWEZNQCLSA-N 2 1 376.457 0.573 20 0 GCADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436865 1185690039 /nfs/dbraw/zinc/69/00/39/1185690039.db2.gz FICIHDDSYNJSDR-JKSUJKDBSA-N 2 1 383.514 0.898 20 0 GCADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000581436865 1185690044 /nfs/dbraw/zinc/69/00/44/1185690044.db2.gz FICIHDDSYNJSDR-JKSUJKDBSA-N 2 1 383.514 0.898 20 0 GCADMP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C2CC2)cc1 ZINC000430607959 1185725518 /nfs/dbraw/zinc/72/55/18/1185725518.db2.gz BVTQFHPYKNPOQD-KRWDZBQOSA-N 2 1 388.512 0.973 20 0 GCADMP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430607458 1185731623 /nfs/dbraw/zinc/73/16/23/1185731623.db2.gz CFXJUAFYDBKLIT-HZPDHXFCSA-N 2 1 393.532 0.677 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424400 1185743550 /nfs/dbraw/zinc/74/35/50/1185743550.db2.gz USXJALMRWBWVAG-MULDDASSSA-N 2 1 393.532 0.929 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891424401 1185743722 /nfs/dbraw/zinc/74/37/22/1185743722.db2.gz USXJALMRWBWVAG-ZKZVPCBQSA-N 2 1 393.532 0.929 20 0 GCADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612946 1185763850 /nfs/dbraw/zinc/76/38/50/1185763850.db2.gz TXLCYKWEAPPYSN-FUHWJXTLSA-N 2 1 388.512 0.844 20 0 GCADMP COc1cc(NC(=O)CC[N@@H+](C)CC(=O)N2CC[NH2+]CC2)cc(OC)c1OC ZINC000430612552 1185766184 /nfs/dbraw/zinc/76/61/84/1185766184.db2.gz RTXMKGCJYQDOAF-UHFFFAOYSA-N 2 1 394.472 0.405 20 0 GCADMP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000430615758 1185777690 /nfs/dbraw/zinc/77/76/90/1185777690.db2.gz CZWFGNWAGVWVQI-HNNXBMFYSA-N 2 1 390.484 0.786 20 0 GCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000430615758 1185777692 /nfs/dbraw/zinc/77/76/92/1185777692.db2.gz CZWFGNWAGVWVQI-HNNXBMFYSA-N 2 1 390.484 0.786 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000581597872 1185780316 /nfs/dbraw/zinc/78/03/16/1185780316.db2.gz IEVJWFOLXDHOGG-QRQLOZEOSA-N 2 1 387.528 0.115 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000581605781 1185783733 /nfs/dbraw/zinc/78/37/33/1185783733.db2.gz YQGJEMDTZLCQRR-IBGZPJMESA-N 2 1 380.496 0.992 20 0 GCADMP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430616603 1185784716 /nfs/dbraw/zinc/78/47/16/1185784716.db2.gz GIEHLPTUERZSGH-MRXNPFEDSA-N 2 1 387.484 0.727 20 0 GCADMP CC(=O)Nc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430616603 1185784720 /nfs/dbraw/zinc/78/47/20/1185784720.db2.gz GIEHLPTUERZSGH-MRXNPFEDSA-N 2 1 387.484 0.727 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NC(=O)NCc1ccccc1 ZINC000430617682 1185786826 /nfs/dbraw/zinc/78/68/26/1185786826.db2.gz OHUJGHOEXOITCS-KRWDZBQOSA-N 2 1 387.484 0.156 20 0 GCADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000430622143 1185802077 /nfs/dbraw/zinc/80/20/77/1185802077.db2.gz DSLJOLLQLLATIV-MRXNPFEDSA-N 2 1 382.530 0.314 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000430625361 1185808204 /nfs/dbraw/zinc/80/82/04/1185808204.db2.gz KKUIDMIDGBZAQU-KZNAEPCWSA-N 2 1 378.517 0.300 20 0 GCADMP COCc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624097 1185809084 /nfs/dbraw/zinc/80/90/84/1185809084.db2.gz IBOULLZTEPFBLR-LJQANCHMSA-N 2 1 388.512 0.593 20 0 GCADMP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430625925 1185809652 /nfs/dbraw/zinc/80/96/52/1185809652.db2.gz KEXSRURXOJRDHW-GDBMZVCRSA-N 2 1 375.473 0.188 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000430630956 1185818584 /nfs/dbraw/zinc/81/85/84/1185818584.db2.gz ZLNANSXYCISFPD-QGZVFWFLSA-N 2 1 393.557 0.179 20 0 GCADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430633913 1185822468 /nfs/dbraw/zinc/82/24/68/1185822468.db2.gz CMRPKQVOWGBPIN-MRXNPFEDSA-N 2 1 387.484 0.258 20 0 GCADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430638646 1185842762 /nfs/dbraw/zinc/84/27/62/1185842762.db2.gz CVUHIQTVXKVYSB-MRXNPFEDSA-N 2 1 383.514 0.757 20 0 GCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430641924 1185846668 /nfs/dbraw/zinc/84/66/68/1185846668.db2.gz JPEIGVUMEWJMCM-KBPBESRZSA-N 2 1 376.457 0.572 20 0 GCADMP NC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000430641414 1185850024 /nfs/dbraw/zinc/85/00/24/1185850024.db2.gz STTZMSSXSVSGRP-LBPRGKRZSA-N 2 1 395.891 0.554 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC(=O)Nc2ccccc21 ZINC000430644016 1185855339 /nfs/dbraw/zinc/85/53/39/1185855339.db2.gz YPKOJEPPAKROSC-OAHLLOKOSA-N 2 1 385.468 0.116 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)N1CC(=O)Nc2ccccc21 ZINC000430644016 1185855347 /nfs/dbraw/zinc/85/53/47/1185855347.db2.gz YPKOJEPPAKROSC-OAHLLOKOSA-N 2 1 385.468 0.116 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccccc2Cn2cccn2)C1 ZINC000430643841 1185855628 /nfs/dbraw/zinc/85/56/28/1185855628.db2.gz MMSOVJSJEABEPI-LJQANCHMSA-N 2 1 398.511 0.335 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430645973 1185858202 /nfs/dbraw/zinc/85/82/02/1185858202.db2.gz VOPIYGRLFTXYTL-CQSZACIVSA-N 2 1 384.502 0.351 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430645973 1185858209 /nfs/dbraw/zinc/85/82/09/1185858209.db2.gz VOPIYGRLFTXYTL-CQSZACIVSA-N 2 1 384.502 0.351 20 0 GCADMP CCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430645258 1185858453 /nfs/dbraw/zinc/85/84/53/1185858453.db2.gz ATYBUVSLRTYXET-SFHVURJKSA-N 2 1 388.512 0.845 20 0 GCADMP C[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430645832 1185858565 /nfs/dbraw/zinc/85/85/65/1185858565.db2.gz ORUDSRUAQVNJJX-GJZGRUSLSA-N 2 1 390.484 0.962 20 0 GCADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000581716502 1185863746 /nfs/dbraw/zinc/86/37/46/1185863746.db2.gz XLPORBRHVSVVOC-YOEHRIQHSA-N 2 1 394.903 0.698 20 0 GCADMP C[C@@H](C(=O)NCc1ccccc1F)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430650118 1185866884 /nfs/dbraw/zinc/86/68/84/1185866884.db2.gz JZZZECRIJCRUKA-DOTOQJQBSA-N 2 1 376.476 0.974 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656890039 1185869980 /nfs/dbraw/zinc/86/99/80/1185869980.db2.gz DPRVWJCFENFCLH-RCCFBDPRSA-N 2 1 391.578 0.716 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)C[C@@H](OC)[C@H]1CCOC1 ZINC000656890039 1185869989 /nfs/dbraw/zinc/86/99/89/1185869989.db2.gz DPRVWJCFENFCLH-RCCFBDPRSA-N 2 1 391.578 0.716 20 0 GCADMP CCCNC(=O)CN1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000051202171 1185875781 /nfs/dbraw/zinc/87/57/81/1185875781.db2.gz OVUBYKLQMXZSFR-INIZCTEOSA-N 2 1 396.532 0.368 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000581747692 1185877810 /nfs/dbraw/zinc/87/78/10/1185877810.db2.gz VRZDNJWJXOOUCF-KSZLIROESA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000581747692 1185877816 /nfs/dbraw/zinc/87/78/16/1185877816.db2.gz VRZDNJWJXOOUCF-KSZLIROESA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000581747692 1185877823 /nfs/dbraw/zinc/87/78/23/1185877823.db2.gz VRZDNJWJXOOUCF-KSZLIROESA-N 2 1 380.533 0.689 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000581747693 1185878679 /nfs/dbraw/zinc/87/86/79/1185878679.db2.gz VRZDNJWJXOOUCF-KURKYZTESA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000581747693 1185878685 /nfs/dbraw/zinc/87/86/85/1185878685.db2.gz VRZDNJWJXOOUCF-KURKYZTESA-N 2 1 380.533 0.689 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000581747693 1185878694 /nfs/dbraw/zinc/87/86/94/1185878694.db2.gz VRZDNJWJXOOUCF-KURKYZTESA-N 2 1 380.533 0.689 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891482574 1185886982 /nfs/dbraw/zinc/88/69/82/1185886982.db2.gz KBZJSVDUTDSXKH-MOPGFXCFSA-N 2 1 387.528 0.943 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484807 1185888352 /nfs/dbraw/zinc/88/83/52/1185888352.db2.gz YDLXDBQEJHTVLN-DLBZAZTESA-N 2 1 395.548 0.387 20 0 GCADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891519412 1185903016 /nfs/dbraw/zinc/90/30/16/1185903016.db2.gz XSOJANOQMQNVIZ-NXOAAHMSSA-N 2 1 379.505 0.683 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559239 1185920182 /nfs/dbraw/zinc/92/01/82/1185920182.db2.gz CXWBDIMSGDWGQV-WMZOPIPTSA-N 2 1 379.549 0.613 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)CC1 ZINC000891559239 1185920186 /nfs/dbraw/zinc/92/01/86/1185920186.db2.gz CXWBDIMSGDWGQV-WMZOPIPTSA-N 2 1 379.549 0.613 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891563293 1185922000 /nfs/dbraw/zinc/92/20/00/1185922000.db2.gz COPJBOHYYWNLFH-ICSRJNTNSA-N 2 1 379.549 0.568 20 0 GCADMP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)C[C@@H]1C(F)(F)F ZINC000891567074 1185922663 /nfs/dbraw/zinc/92/26/63/1185922663.db2.gz VKBGPMIIIDTDMJ-ILXRZTDVSA-N 2 1 393.454 0.172 20 0 GCADMP O=S(=O)(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccccn2)CC1 ZINC000569349513 1185926289 /nfs/dbraw/zinc/92/62/89/1185926289.db2.gz GAQMDADXTHBRGR-SJPCQFCGSA-N 2 1 379.530 0.406 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@@H+]1C ZINC001022162173 1185936484 /nfs/dbraw/zinc/93/64/84/1185936484.db2.gz NNYYHUDALHUGLT-INDMIFKZSA-N 2 1 392.544 0.498 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3CCN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@H+]1C ZINC001022162173 1185936487 /nfs/dbraw/zinc/93/64/87/1185936487.db2.gz NNYYHUDALHUGLT-INDMIFKZSA-N 2 1 392.544 0.498 20 0 GCADMP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430668344 1185943614 /nfs/dbraw/zinc/94/36/14/1185943614.db2.gz RCSIHLHRBNBKCH-HZPDHXFCSA-N 2 1 399.495 0.504 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)NCc1cnc(N(C)C)n1C ZINC000083717537 1185960862 /nfs/dbraw/zinc/96/08/62/1185960862.db2.gz QKOUAKNEMMAWNJ-OAHLLOKOSA-N 2 1 379.509 0.228 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000430695608 1185992154 /nfs/dbraw/zinc/99/21/54/1185992154.db2.gz STDZWIPZKOZQRT-GOSISDBHSA-N 2 1 397.483 0.905 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000430695608 1185992157 /nfs/dbraw/zinc/99/21/57/1185992157.db2.gz STDZWIPZKOZQRT-GOSISDBHSA-N 2 1 397.483 0.905 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751545 1186008803 /nfs/dbraw/zinc/00/88/03/1186008803.db2.gz ADEMADRMJQHNMD-QYZOEREBSA-N 2 1 381.565 0.499 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO)N1CC[NH+](C)CC1 ZINC000891751545 1186008808 /nfs/dbraw/zinc/00/88/08/1186008808.db2.gz ADEMADRMJQHNMD-QYZOEREBSA-N 2 1 381.565 0.499 20 0 GCADMP CC[NH+]1C[C@@H](C)N(C(=O)COCC(=O)N2[C@H](C)C[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000581967563 1186013350 /nfs/dbraw/zinc/01/33/50/1186013350.db2.gz XGHISZHKPBKCJQ-USTZCAOPSA-N 2 1 382.549 0.885 20 0 GCADMP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761848 1186014819 /nfs/dbraw/zinc/01/48/19/1186014819.db2.gz JUAGYTSIJZBNHW-ROUUACIJSA-N 2 1 387.532 0.867 20 0 GCADMP C[N@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000891761848 1186014826 /nfs/dbraw/zinc/01/48/26/1186014826.db2.gz JUAGYTSIJZBNHW-ROUUACIJSA-N 2 1 387.532 0.867 20 0 GCADMP C[N@@H+](CCNC(=O)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1)Cc1ccccc1 ZINC000430798813 1186030913 /nfs/dbraw/zinc/03/09/13/1186030913.db2.gz VCRFJCMUAMCINX-IBGZPJMESA-N 2 1 388.512 0.462 20 0 GCADMP C[C@H](CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)C1CC[NH2+]CC1 ZINC000430867058 1186044063 /nfs/dbraw/zinc/04/40/63/1186044063.db2.gz ISENTEJAUODDHL-OAHLLOKOSA-N 2 1 376.505 0.621 20 0 GCADMP C[C@H]1C[N@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430931180 1186055218 /nfs/dbraw/zinc/05/52/18/1186055218.db2.gz AYIVOQOJMKEWTE-MAUKXSAKSA-N 2 1 383.514 0.755 20 0 GCADMP C[C@H]1C[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC[C@H]1[NH3+] ZINC000430931180 1186055221 /nfs/dbraw/zinc/05/52/21/1186055221.db2.gz AYIVOQOJMKEWTE-MAUKXSAKSA-N 2 1 383.514 0.755 20 0 GCADMP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000548404439 1186061456 /nfs/dbraw/zinc/06/14/56/1186061456.db2.gz MAFZYJAXNFVMSB-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000548404439 1186061462 /nfs/dbraw/zinc/06/14/62/1186061462.db2.gz MAFZYJAXNFVMSB-QZTJIDSGSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CCCO1 ZINC000891854059 1186094350 /nfs/dbraw/zinc/09/43/50/1186094350.db2.gz ADKZPGOLDJCAPZ-VQHPVUNQSA-N 2 1 395.504 0.064 20 0 GCADMP COCC[C@]1(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000431028162 1186107114 /nfs/dbraw/zinc/10/71/14/1186107114.db2.gz NJMYIGNTQWJZJJ-HXUWFJFHSA-N 2 1 375.517 0.726 20 0 GCADMP COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)nn1 ZINC001087181520 1186117656 /nfs/dbraw/zinc/11/76/56/1186117656.db2.gz VYXORGLLOGUTHX-XYVMCAHJSA-N 2 1 391.516 0.921 20 0 GCADMP COc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)nn1 ZINC001087181520 1186117657 /nfs/dbraw/zinc/11/76/57/1186117657.db2.gz VYXORGLLOGUTHX-XYVMCAHJSA-N 2 1 391.516 0.921 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000642882309 1186138106 /nfs/dbraw/zinc/13/81/06/1186138106.db2.gz DMCYOZOBDHJYRG-ZMSDIMECSA-N 2 1 378.473 0.497 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000581999827 1186178735 /nfs/dbraw/zinc/17/87/35/1186178735.db2.gz KASDHVNRAFKDIF-HOTGVXAUSA-N 2 1 393.557 0.411 20 0 GCADMP C[N@@H+]1CCC[C@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000458160735 1186209641 /nfs/dbraw/zinc/20/96/41/1186209641.db2.gz GUEAHAGWQYTJCJ-MSOLQXFVSA-N 2 1 380.533 0.548 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000458160735 1186209648 /nfs/dbraw/zinc/20/96/48/1186209648.db2.gz GUEAHAGWQYTJCJ-MSOLQXFVSA-N 2 1 380.533 0.548 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458239239 1186218119 /nfs/dbraw/zinc/21/81/19/1186218119.db2.gz ZBBPPBOJPJJHCD-IRXDYDNUSA-N 2 1 383.537 0.075 20 0 GCADMP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001707906811 1186237673 /nfs/dbraw/zinc/23/76/73/1186237673.db2.gz KMNOTXWMNWNTBM-UHFFFAOYSA-N 2 1 387.532 0.593 20 0 GCADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC[NH+]1CC=CCC1 ZINC001707907001 1186243054 /nfs/dbraw/zinc/24/30/54/1186243054.db2.gz QNNVMFHSMMECHO-SFHVURJKSA-N 2 1 387.532 0.591 20 0 GCADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@H+]1CC=CCC1 ZINC001707907001 1186243059 /nfs/dbraw/zinc/24/30/59/1186243059.db2.gz QNNVMFHSMMECHO-SFHVURJKSA-N 2 1 387.532 0.591 20 0 GCADMP Cc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CC[N@@H+]1CC=CCC1 ZINC001707907001 1186243064 /nfs/dbraw/zinc/24/30/64/1186243064.db2.gz QNNVMFHSMMECHO-SFHVURJKSA-N 2 1 387.532 0.591 20 0 GCADMP Cc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)[N@@H+](C)C1CC1 ZINC001707907335 1186244787 /nfs/dbraw/zinc/24/47/87/1186244787.db2.gz VZZYSYNUGUMABH-MRXNPFEDSA-N 2 1 389.548 0.814 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]3CCN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)CC[N@H+]1C ZINC001022528315 1186271367 /nfs/dbraw/zinc/27/13/67/1186271367.db2.gz PHZFVRBPUUVYET-UKBAYJJMSA-N 2 1 392.544 0.497 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)CC1=O ZINC000236831999 1186290750 /nfs/dbraw/zinc/29/07/50/1186290750.db2.gz ZGRRWRMCTAFUKL-DLBZAZTESA-N 2 1 380.533 0.676 20 0 GCADMP C[C@H](CNC(=O)NCC(=O)NCC[NH+]1CCCCCC1)C[NH+]1CCOCC1 ZINC000431291575 1186320772 /nfs/dbraw/zinc/32/07/72/1186320772.db2.gz RLOGJUBYHVXQNF-QGZVFWFLSA-N 2 1 383.537 0.246 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000431287906 1186321112 /nfs/dbraw/zinc/32/11/12/1186321112.db2.gz PISPKOUPCCYMPR-UHFFFAOYSA-N 2 1 389.500 0.010 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)n1C ZINC000431296060 1186327593 /nfs/dbraw/zinc/32/75/93/1186327593.db2.gz SLLNHOPUPCXFQC-UHFFFAOYSA-N 2 1 379.509 0.278 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC2)cc1 ZINC000363792335 1186355713 /nfs/dbraw/zinc/35/57/13/1186355713.db2.gz FPTGLEFPKGUSNZ-UHFFFAOYSA-N 2 1 376.501 0.973 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)CC(N)=O)CC2)cc1 ZINC000363792335 1186355718 /nfs/dbraw/zinc/35/57/18/1186355718.db2.gz FPTGLEFPKGUSNZ-UHFFFAOYSA-N 2 1 376.501 0.973 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000582017985 1186371935 /nfs/dbraw/zinc/37/19/35/1186371935.db2.gz NDQMTMYPHPMKOA-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000582017985 1186371938 /nfs/dbraw/zinc/37/19/38/1186371938.db2.gz NDQMTMYPHPMKOA-ZWKOTPCHSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1CCOC ZINC000582020307 1186372145 /nfs/dbraw/zinc/37/21/45/1186372145.db2.gz CFUQDBHOSNDERB-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1CCOC ZINC000582020307 1186372147 /nfs/dbraw/zinc/37/21/47/1186372147.db2.gz CFUQDBHOSNDERB-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1CCOC ZINC000582020307 1186372155 /nfs/dbraw/zinc/37/21/55/1186372155.db2.gz CFUQDBHOSNDERB-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1CCOC ZINC000582020307 1186372162 /nfs/dbraw/zinc/37/21/62/1186372162.db2.gz CFUQDBHOSNDERB-GOSISDBHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1CCOC ZINC000582020308 1186373018 /nfs/dbraw/zinc/37/30/18/1186373018.db2.gz CFUQDBHOSNDERB-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1CCOC ZINC000582020308 1186373021 /nfs/dbraw/zinc/37/30/21/1186373021.db2.gz CFUQDBHOSNDERB-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1CCOC ZINC000582020308 1186373025 /nfs/dbraw/zinc/37/30/25/1186373025.db2.gz CFUQDBHOSNDERB-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1CCOC ZINC000582020308 1186373028 /nfs/dbraw/zinc/37/30/28/1186373028.db2.gz CFUQDBHOSNDERB-SFHVURJKSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)C[C@H](CNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+](C)C ZINC000511077055 1186418208 /nfs/dbraw/zinc/41/82/08/1186418208.db2.gz RIQMNXAAARZASW-QZTJIDSGSA-N 2 1 382.549 0.792 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892187832 1186419072 /nfs/dbraw/zinc/41/90/72/1186419072.db2.gz NJLZWAITSYOGBB-FCGDIQPGSA-N 2 1 379.549 0.470 20 0 GCADMP C[N@H+]1CCN(CC[NH2+]C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CC1(C)C ZINC000582176592 1186452894 /nfs/dbraw/zinc/45/28/94/1186452894.db2.gz BKRGNQGRMJFZIZ-QGZVFWFLSA-N 2 1 389.500 0.480 20 0 GCADMP C[N@@H+](CCO)CCNC(=O)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000892218773 1186458094 /nfs/dbraw/zinc/45/80/94/1186458094.db2.gz MDWKOAIEKFLLRG-UHFFFAOYSA-N 2 1 380.514 0.214 20 0 GCADMP [NH3+]Cc1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(F)c1 ZINC000892226085 1186471197 /nfs/dbraw/zinc/47/11/97/1186471197.db2.gz VRFNPYJUXDVQBI-GOSISDBHSA-N 2 1 393.507 0.880 20 0 GCADMP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231733 1186475781 /nfs/dbraw/zinc/47/57/81/1186475781.db2.gz BFVAERSBBDMXFZ-PFHJDOJBSA-N 2 1 395.504 0.061 20 0 GCADMP C[C@@H](CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000892231733 1186475785 /nfs/dbraw/zinc/47/57/85/1186475785.db2.gz BFVAERSBBDMXFZ-PFHJDOJBSA-N 2 1 395.504 0.061 20 0 GCADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC1 ZINC000582252539 1186478356 /nfs/dbraw/zinc/47/83/56/1186478356.db2.gz KFBVXPMNEPSPKQ-ZWKOTPCHSA-N 2 1 385.512 0.995 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(S(N)(=O)=O)nc2)CC1 ZINC000684879692 1186537995 /nfs/dbraw/zinc/53/79/95/1186537995.db2.gz ZUTUTXRQDSITPR-UHFFFAOYSA-N 2 1 376.442 0.128 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000582550724 1186563605 /nfs/dbraw/zinc/56/36/05/1186563605.db2.gz WSCDIAKGEBLUJV-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)N1CC[NH+](C)CC1 ZINC000582619965 1186588045 /nfs/dbraw/zinc/58/80/45/1186588045.db2.gz MDGOPSVECKZIIK-NUJGCVRESA-N 2 1 379.549 0.116 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000431468238 1186597784 /nfs/dbraw/zinc/59/77/84/1186597784.db2.gz CJPFUTWANDFYBE-GOSISDBHSA-N 2 1 396.580 0.304 20 0 GCADMP COCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000668633252 1186602589 /nfs/dbraw/zinc/60/25/89/1186602589.db2.gz JCJBBQKWXSUSHC-KRWDZBQOSA-N 2 1 380.533 0.737 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667003 1186603608 /nfs/dbraw/zinc/60/36/08/1186603608.db2.gz QJUQVADEPMEKAT-YRPNKDGESA-N 3 1 387.528 0.137 20 0 GCADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000582667003 1186603610 /nfs/dbraw/zinc/60/36/10/1186603610.db2.gz QJUQVADEPMEKAT-YRPNKDGESA-N 3 1 387.528 0.137 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582670424 1186605318 /nfs/dbraw/zinc/60/53/18/1186605318.db2.gz YBQGOQGOQIANEH-PXNSSMCTSA-N 2 1 389.519 0.842 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277788241 1186610243 /nfs/dbraw/zinc/61/02/43/1186610243.db2.gz ZXXJNDWNXPBUEP-VQTJNVASSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277788241 1186610247 /nfs/dbraw/zinc/61/02/47/1186610247.db2.gz ZXXJNDWNXPBUEP-VQTJNVASSA-N 2 1 389.544 0.823 20 0 GCADMP CN1CC[NH+](C)C[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000277788241 1186610249 /nfs/dbraw/zinc/61/02/49/1186610249.db2.gz ZXXJNDWNXPBUEP-VQTJNVASSA-N 2 1 389.544 0.823 20 0 GCADMP CN(C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000582727491 1186625942 /nfs/dbraw/zinc/62/59/42/1186625942.db2.gz XEIRRDGWPZKUDC-DYESRHJHSA-N 2 1 391.560 0.073 20 0 GCADMP C[C@H](CNC(=O)NCc1ccnc(N2CCN(C)CC2)c1)N1CCOCC1 ZINC000077780948 1186654870 /nfs/dbraw/zinc/65/48/70/1186654870.db2.gz GBEMHEJPBSQNOH-MRXNPFEDSA-N 2 1 376.505 0.353 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000582846277 1186709819 /nfs/dbraw/zinc/70/98/19/1186709819.db2.gz FNMDZFHTZOFGGR-MOPGFXCFSA-N 2 1 392.544 0.548 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000582895916 1186724776 /nfs/dbraw/zinc/72/47/76/1186724776.db2.gz WCXIHMKGLBQQFK-MSOLQXFVSA-N 2 1 387.528 0.409 20 0 GCADMP C[NH+](C)CCn1c2cc(NC(=O)C(=O)N3CCC[N@@H+](C)CC3)ccc2oc1=O ZINC000162000272 1186738755 /nfs/dbraw/zinc/73/87/55/1186738755.db2.gz YAIHCLLVDWGTKM-UHFFFAOYSA-N 2 1 389.456 0.259 20 0 GCADMP CN(CCC[NH3+])C(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000583036332 1186754150 /nfs/dbraw/zinc/75/41/50/1186754150.db2.gz LFPIQSDCWYARKU-UHFFFAOYSA-N 2 1 375.517 0.118 20 0 GCADMP CC1CCC([NH+]2CCN(C(=O)C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000583161348 1186785519 /nfs/dbraw/zinc/78/55/19/1186785519.db2.gz TVFLSJQVWCTBBS-DAWZGUTISA-N 2 1 379.549 0.071 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000583231794 1186802553 /nfs/dbraw/zinc/80/25/53/1186802553.db2.gz PAVKQKUQSGPBAM-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@H+]1CC(C)(C)O ZINC000583231794 1186802558 /nfs/dbraw/zinc/80/25/58/1186802558.db2.gz PAVKQKUQSGPBAM-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405022 1186847125 /nfs/dbraw/zinc/84/71/25/1186847125.db2.gz VDLFADYCPJVLIM-QZTJIDSGSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405022 1186847128 /nfs/dbraw/zinc/84/71/28/1186847128.db2.gz VDLFADYCPJVLIM-QZTJIDSGSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405022 1186847134 /nfs/dbraw/zinc/84/71/34/1186847134.db2.gz VDLFADYCPJVLIM-QZTJIDSGSA-N 2 1 396.576 0.774 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)C1 ZINC000583405022 1186847141 /nfs/dbraw/zinc/84/71/41/1186847141.db2.gz VDLFADYCPJVLIM-QZTJIDSGSA-N 2 1 396.576 0.774 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458541247 1186862143 /nfs/dbraw/zinc/86/21/43/1186862143.db2.gz AEPWPQBUWUJGFI-GUDVDZBRSA-N 2 1 382.549 0.900 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000583511594 1186875493 /nfs/dbraw/zinc/87/54/93/1186875493.db2.gz OGTIQMWOWVQFHP-RTBURBONSA-N 2 1 388.512 0.257 20 0 GCADMP C[NH+](C)CCOCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000583585414 1186892351 /nfs/dbraw/zinc/89/23/51/1186892351.db2.gz YTULNZKJABPJOK-KDURUIRLSA-N 2 1 388.512 0.271 20 0 GCADMP C[C@@H](CNC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000163321529 1186909018 /nfs/dbraw/zinc/90/90/18/1186909018.db2.gz GXPBXXQISINQTM-FXAWDEMLSA-N 2 1 390.528 0.673 20 0 GCADMP C[C@@H](CNC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)C[NH+]1CCOCC1 ZINC000163321529 1186909021 /nfs/dbraw/zinc/90/90/21/1186909021.db2.gz GXPBXXQISINQTM-FXAWDEMLSA-N 2 1 390.528 0.673 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000246272664 1186916335 /nfs/dbraw/zinc/91/63/35/1186916335.db2.gz LXORSKSOUUAONL-HLLBOEOZSA-N 2 1 376.505 0.916 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H](C)O1 ZINC000246272664 1186916337 /nfs/dbraw/zinc/91/63/37/1186916337.db2.gz LXORSKSOUUAONL-HLLBOEOZSA-N 2 1 376.505 0.916 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000472298369 1186920374 /nfs/dbraw/zinc/92/03/74/1186920374.db2.gz WWYAUFJGDPTWHZ-GOSISDBHSA-N 2 1 390.532 0.558 20 0 GCADMP COCCO[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400121 1186931060 /nfs/dbraw/zinc/93/10/60/1186931060.db2.gz WHSCMBFPBMYCFB-DFQSSKMNSA-N 2 1 393.528 0.751 20 0 GCADMP COCCO[C@@H]1C[C@H](CO)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400121 1186931064 /nfs/dbraw/zinc/93/10/64/1186931064.db2.gz WHSCMBFPBMYCFB-DFQSSKMNSA-N 2 1 393.528 0.751 20 0 GCADMP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000583802572 1186942575 /nfs/dbraw/zinc/94/25/75/1186942575.db2.gz HGQZGEUQQIDOER-MRXNPFEDSA-N 2 1 395.573 0.657 20 0 GCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000583976142 1186970607 /nfs/dbraw/zinc/97/06/07/1186970607.db2.gz PEMCQEJQEYHSDW-HDICACEKSA-N 2 1 384.480 0.234 20 0 GCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000583976142 1186970608 /nfs/dbraw/zinc/97/06/08/1186970608.db2.gz PEMCQEJQEYHSDW-HDICACEKSA-N 2 1 384.480 0.234 20 0 GCADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC000583976142 1186970609 /nfs/dbraw/zinc/97/06/09/1186970609.db2.gz PEMCQEJQEYHSDW-HDICACEKSA-N 2 1 384.480 0.234 20 0 GCADMP CC1=CC[N@@H+](CCNC(=O)C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000548817226 1186993918 /nfs/dbraw/zinc/99/39/18/1186993918.db2.gz ZXIWHQJNZCZOOV-LJQANCHMSA-N 2 1 391.560 0.382 20 0 GCADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000584113874 1187001035 /nfs/dbraw/zinc/00/10/35/1187001035.db2.gz NTKHELHDVLWAJU-OAHLLOKOSA-N 2 1 398.504 0.329 20 0 GCADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000584113874 1187001041 /nfs/dbraw/zinc/00/10/41/1187001041.db2.gz NTKHELHDVLWAJU-OAHLLOKOSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@H]2C)CC[N@H+]1C ZINC001719756543 1187011333 /nfs/dbraw/zinc/01/13/33/1187011333.db2.gz SNSKGKKLWGFFEN-BRSBDYLESA-N 2 1 382.549 0.506 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnc(COC)n1 ZINC000657835023 1187014864 /nfs/dbraw/zinc/01/48/64/1187014864.db2.gz NSTQKDKMHFHWTE-OAHLLOKOSA-N 2 1 392.504 0.436 20 0 GCADMP CC1(C)CC[C@H](CNC(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000892374152 1187017533 /nfs/dbraw/zinc/01/75/33/1187017533.db2.gz AWHGNKZNHXYVID-MSOLQXFVSA-N 2 1 381.565 0.860 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276384 1187017921 /nfs/dbraw/zinc/01/79/21/1187017921.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276384 1187017925 /nfs/dbraw/zinc/01/79/25/1187017925.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276384 1187017927 /nfs/dbraw/zinc/01/79/27/1187017927.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276384 1187017929 /nfs/dbraw/zinc/01/79/29/1187017929.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276384 1187017934 /nfs/dbraw/zinc/01/79/34/1187017934.db2.gz OABCXHMBRWRYND-GPMSIDNRSA-N 2 1 391.560 0.355 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCC[C@H](C[NH3+])C2)CC1 ZINC000584285758 1187026106 /nfs/dbraw/zinc/02/61/06/1187026106.db2.gz NWBYMWHDYKRSSW-GOSISDBHSA-N 2 1 382.549 0.781 20 0 GCADMP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000642943915 1187039476 /nfs/dbraw/zinc/03/94/76/1187039476.db2.gz UNAZNMODMWUBEB-OALUTQOASA-N 2 1 393.576 0.637 20 0 GCADMP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000642943915 1187039479 /nfs/dbraw/zinc/03/94/79/1187039479.db2.gz UNAZNMODMWUBEB-OALUTQOASA-N 2 1 393.576 0.637 20 0 GCADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](O)CN3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000420972840 1187040374 /nfs/dbraw/zinc/04/03/74/1187040374.db2.gz BJIXOWCAJBRBNS-SBHAEUEKSA-N 2 1 382.593 0.949 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH+]1CCCC1)[NH+]1CCOCC1 ZINC000584399369 1187050371 /nfs/dbraw/zinc/05/03/71/1187050371.db2.gz ZHCWDJQFSWLNCV-GOSISDBHSA-N 2 1 382.549 0.794 20 0 GCADMP C[N@@H+](CCOc1cccc(C[NH2+]CCC(=O)NC(N)=O)c1)C1CCOCC1 ZINC000584405654 1187052522 /nfs/dbraw/zinc/05/25/22/1187052522.db2.gz TZKSGCAQMMRWHB-UHFFFAOYSA-N 2 1 378.473 0.851 20 0 GCADMP CN(C(=O)C[C@@H]1CCCCO1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000087318229 1187056032 /nfs/dbraw/zinc/05/60/32/1187056032.db2.gz VZZRKDKIGSDIPW-SFHVURJKSA-N 2 1 380.533 0.642 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000584424701 1187057968 /nfs/dbraw/zinc/05/79/68/1187057968.db2.gz OKDZOLIHSZPYRT-GOSISDBHSA-N 2 1 395.592 0.613 20 0 GCADMP C[C@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1CCC[C@@H](C)C1 ZINC000375748617 1187058834 /nfs/dbraw/zinc/05/88/34/1187058834.db2.gz IPLWKQYLPCLQHN-HZPDHXFCSA-N 2 1 390.532 1.325 20 0 GCADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000584438103 1187064382 /nfs/dbraw/zinc/06/43/82/1187064382.db2.gz KHJOTYIWPASFRY-GOSISDBHSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000584438103 1187064386 /nfs/dbraw/zinc/06/43/86/1187064386.db2.gz KHJOTYIWPASFRY-GOSISDBHSA-N 2 1 378.517 0.443 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310523 1187069852 /nfs/dbraw/zinc/06/98/52/1187069852.db2.gz YXWVDLCPVLEBOB-YJBOKZPZSA-N 2 1 380.533 0.545 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000657870591 1187079040 /nfs/dbraw/zinc/07/90/40/1187079040.db2.gz MQXRMYBXFIDJTH-MRXNPFEDSA-N 2 1 389.500 0.034 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[N@H+]1CC(C)(C)O ZINC000657870591 1187079043 /nfs/dbraw/zinc/07/90/43/1187079043.db2.gz MQXRMYBXFIDJTH-MRXNPFEDSA-N 2 1 389.500 0.034 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3CCN(c4cc[nH+]cc4)CC3)CC2)c1 ZINC000657874455 1187088010 /nfs/dbraw/zinc/08/80/10/1187088010.db2.gz UUEHTAQQNGOWTG-UHFFFAOYSA-N 2 1 394.479 0.782 20 0 GCADMP COCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000685330883 1187098776 /nfs/dbraw/zinc/09/87/76/1187098776.db2.gz IVWGVKDJYJOCIL-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP COCCC1(CNC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000685330883 1187098779 /nfs/dbraw/zinc/09/87/79/1187098779.db2.gz IVWGVKDJYJOCIL-QGZVFWFLSA-N 2 1 380.533 0.546 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342055 1187108454 /nfs/dbraw/zinc/10/84/54/1187108454.db2.gz XEYMXNPRMRTCNN-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342055 1187108456 /nfs/dbraw/zinc/10/84/56/1187108456.db2.gz XEYMXNPRMRTCNN-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000685343888 1187108882 /nfs/dbraw/zinc/10/88/82/1187108882.db2.gz PRRZARCURHVBHQ-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685343888 1187108885 /nfs/dbraw/zinc/10/88/85/1187108885.db2.gz PRRZARCURHVBHQ-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000685343889 1187109360 /nfs/dbraw/zinc/10/93/60/1187109360.db2.gz PRRZARCURHVBHQ-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000685343889 1187109361 /nfs/dbraw/zinc/10/93/61/1187109361.db2.gz PRRZARCURHVBHQ-IEBWSBKVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344484 1187110172 /nfs/dbraw/zinc/11/01/72/1187110172.db2.gz XLNMNEYCEYXDGS-QAPCUYQASA-N 2 1 394.491 0.551 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344484 1187110175 /nfs/dbraw/zinc/11/01/75/1187110175.db2.gz XLNMNEYCEYXDGS-QAPCUYQASA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000685344485 1187110625 /nfs/dbraw/zinc/11/06/25/1187110625.db2.gz XLNMNEYCEYXDGS-YJBOKZPZSA-N 2 1 394.491 0.551 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685344485 1187110628 /nfs/dbraw/zinc/11/06/28/1187110628.db2.gz XLNMNEYCEYXDGS-YJBOKZPZSA-N 2 1 394.491 0.551 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)CC2)CC1 ZINC000892392694 1187122273 /nfs/dbraw/zinc/12/22/73/1187122273.db2.gz HIVIULAGCFXLOM-QGZVFWFLSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1=CC[N@@H+](C)CC1 ZINC000685444833 1187129314 /nfs/dbraw/zinc/12/93/14/1187129314.db2.gz ZSOLLMSLKWNJHZ-MRXNPFEDSA-N 2 1 378.517 0.324 20 0 GCADMP O=C(C(=O)N1CC[NH+](C2CCOCC2)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000658104282 1187245858 /nfs/dbraw/zinc/24/58/58/1187245858.db2.gz VHADJDGEKATWFK-UHFFFAOYSA-N 2 1 392.544 0.787 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)c3ccccc3C[NH+](C)C)C2)CC[N@H+]1C ZINC001024134462 1187262635 /nfs/dbraw/zinc/26/26/35/1187262635.db2.gz BLCLGBXCZABXGO-YCEFEEMOSA-N 2 1 388.512 0.390 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)O1 ZINC000972854899 1187280921 /nfs/dbraw/zinc/28/09/21/1187280921.db2.gz JZKXAXAAYHJYJT-BRSBDYLESA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C(C)(C)[NH+]4CCCC4)C[C@H]32)O1 ZINC000972854899 1187280924 /nfs/dbraw/zinc/28/09/24/1187280924.db2.gz JZKXAXAAYHJYJT-BRSBDYLESA-N 2 1 392.544 0.639 20 0 GCADMP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000564994422 1187426228 /nfs/dbraw/zinc/42/62/28/1187426228.db2.gz SBDVNONUJXXMFZ-SJORKVTESA-N 2 1 379.549 0.201 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)CC2)C1 ZINC000658732073 1187433690 /nfs/dbraw/zinc/43/36/90/1187433690.db2.gz XLRLHFDWKUUNMW-OALUTQOASA-N 2 1 391.560 0.312 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443943 1187491662 /nfs/dbraw/zinc/49/16/62/1187491662.db2.gz HURMLLMASUNUHF-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000612443943 1187491663 /nfs/dbraw/zinc/49/16/63/1187491663.db2.gz HURMLLMASUNUHF-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000612443943 1187491666 /nfs/dbraw/zinc/49/16/66/1187491666.db2.gz HURMLLMASUNUHF-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612443943 1187491668 /nfs/dbraw/zinc/49/16/68/1187491668.db2.gz HURMLLMASUNUHF-IAGOWNOFSA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000612445442 1187492584 /nfs/dbraw/zinc/49/25/84/1187492584.db2.gz LHOUACUEKWAILJ-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000612445442 1187492587 /nfs/dbraw/zinc/49/25/87/1187492587.db2.gz LHOUACUEKWAILJ-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445442 1187492591 /nfs/dbraw/zinc/49/25/91/1187492591.db2.gz LHOUACUEKWAILJ-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000612445442 1187492594 /nfs/dbraw/zinc/49/25/94/1187492594.db2.gz LHOUACUEKWAILJ-SJORKVTESA-N 2 1 394.560 0.813 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000612481887 1187502950 /nfs/dbraw/zinc/50/29/50/1187502950.db2.gz GMUDIBNJYNOMMN-IRXDYDNUSA-N 2 1 382.549 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000612481887 1187502953 /nfs/dbraw/zinc/50/29/53/1187502953.db2.gz GMUDIBNJYNOMMN-IRXDYDNUSA-N 2 1 382.549 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000612481831 1187504659 /nfs/dbraw/zinc/50/46/59/1187504659.db2.gz FWXGHMMLUYTXQW-ROUUACIJSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000612481827 1187504942 /nfs/dbraw/zinc/50/49/42/1187504942.db2.gz FWXGHMMLUYTXQW-MSOLQXFVSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000612484979 1187505467 /nfs/dbraw/zinc/50/54/67/1187505467.db2.gz JULIZUAPLNIAAF-RBUKOAKNSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1 ZINC000612486802 1187506316 /nfs/dbraw/zinc/50/63/16/1187506316.db2.gz RJFDYLSDHDLWSI-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000612544540 1187522334 /nfs/dbraw/zinc/52/23/34/1187522334.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544540 1187522339 /nfs/dbraw/zinc/52/23/39/1187522339.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000612544540 1187522342 /nfs/dbraw/zinc/52/23/42/1187522342.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000612544540 1187522347 /nfs/dbraw/zinc/52/23/47/1187522347.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000612544540 1187522350 /nfs/dbraw/zinc/52/23/50/1187522350.db2.gz DSGIMACXZKABND-SJLPKXTDSA-N 2 1 379.549 0.214 20 0 GCADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000612595262 1187535725 /nfs/dbraw/zinc/53/57/25/1187535725.db2.gz FRBMXDXDXPOAIF-QZTJIDSGSA-N 2 1 380.533 0.689 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000612597008 1187536376 /nfs/dbraw/zinc/53/63/76/1187536376.db2.gz ZLBVBFJXWLTSQU-WMZOPIPTSA-N 2 1 380.533 0.450 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000658821217 1187553467 /nfs/dbraw/zinc/55/34/67/1187553467.db2.gz KDECBVSFKPRFIS-ZWKOTPCHSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[NH+](CC)C2)CC[N@H+]1CCOC ZINC000658821217 1187553472 /nfs/dbraw/zinc/55/34/72/1187553472.db2.gz KDECBVSFKPRFIS-ZWKOTPCHSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@H+](CC)C2)CC[NH+]1CCOC ZINC000658821217 1187553476 /nfs/dbraw/zinc/55/34/76/1187553476.db2.gz KDECBVSFKPRFIS-ZWKOTPCHSA-N 2 1 382.549 0.888 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N(CC)[C@@H]2CC[N@@H+](CC)C2)CC[NH+]1CCOC ZINC000658821217 1187553480 /nfs/dbraw/zinc/55/34/80/1187553480.db2.gz KDECBVSFKPRFIS-ZWKOTPCHSA-N 2 1 382.549 0.888 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNC(=O)c3cn(CCC[NH3+])nn3)c2)C1 ZINC000570328867 1187574692 /nfs/dbraw/zinc/57/46/92/1187574692.db2.gz CYYCBNNENMADTC-QGZVFWFLSA-N 2 1 399.499 0.254 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC000247023753 1187623577 /nfs/dbraw/zinc/62/35/77/1187623577.db2.gz QLAIGGZQIFHEGJ-QZTJIDSGSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000247023753 1187623580 /nfs/dbraw/zinc/62/35/80/1187623580.db2.gz QLAIGGZQIFHEGJ-QZTJIDSGSA-N 2 1 379.549 0.912 20 0 GCADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000247023753 1187623584 /nfs/dbraw/zinc/62/35/84/1187623584.db2.gz QLAIGGZQIFHEGJ-QZTJIDSGSA-N 2 1 379.549 0.912 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173947469 1187744408 /nfs/dbraw/zinc/74/44/08/1187744408.db2.gz IGQBTTSCZLUTGO-UHFFFAOYSA-N 2 1 379.509 0.557 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000332818862 1187784525 /nfs/dbraw/zinc/78/45/25/1187784525.db2.gz WPAZZQXWGUWIPI-BZSNNMDCSA-N 2 1 378.517 0.443 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000332818862 1187784528 /nfs/dbraw/zinc/78/45/28/1187784528.db2.gz WPAZZQXWGUWIPI-BZSNNMDCSA-N 2 1 378.517 0.443 20 0 GCADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000376362971 1187792263 /nfs/dbraw/zinc/79/22/63/1187792263.db2.gz FTAYOLXITRGMSF-OOKSDGMUSA-N 2 1 395.548 0.338 20 0 GCADMP C[C@@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)C[NH+]1CCOCC1 ZINC000376362971 1187792265 /nfs/dbraw/zinc/79/22/65/1187792265.db2.gz FTAYOLXITRGMSF-OOKSDGMUSA-N 2 1 395.548 0.338 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)CC2)C1 ZINC000658977845 1187829432 /nfs/dbraw/zinc/82/94/32/1187829432.db2.gz KQKUBECAQBLERY-RBUKOAKNSA-N 2 1 391.560 0.312 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892651395 1187880185 /nfs/dbraw/zinc/88/01/85/1187880185.db2.gz YCHHLRCTUDKONL-SQNIBIBYSA-N 2 1 395.548 0.170 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000892651395 1187880186 /nfs/dbraw/zinc/88/01/86/1187880186.db2.gz YCHHLRCTUDKONL-SQNIBIBYSA-N 2 1 395.548 0.170 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000892651395 1187880192 /nfs/dbraw/zinc/88/01/92/1187880192.db2.gz YCHHLRCTUDKONL-SQNIBIBYSA-N 2 1 395.548 0.170 20 0 GCADMP CCCN(C(=O)C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1)[C@H]1CC[N@@H+](C)C1 ZINC000647566783 1187893973 /nfs/dbraw/zinc/89/39/73/1187893973.db2.gz BTMGSQNESRAIEW-ZWKOTPCHSA-N 2 1 382.549 0.888 20 0 GCADMP O=C(C(=O)N1CCC[N@@H+](C2CCCC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659132825 1187900299 /nfs/dbraw/zinc/90/02/99/1187900299.db2.gz HNGKYQCRIWSXDG-GOSISDBHSA-N 2 1 392.544 0.644 20 0 GCADMP O=C(C(=O)N1CCC[N@H+](C2CCCC2)CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000659132825 1187900301 /nfs/dbraw/zinc/90/03/01/1187900301.db2.gz HNGKYQCRIWSXDG-GOSISDBHSA-N 2 1 392.544 0.644 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000647594206 1187905467 /nfs/dbraw/zinc/90/54/67/1187905467.db2.gz QIXCWBSIIOZUED-JYJNAYRXSA-N 2 1 376.501 0.766 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000647594206 1187905469 /nfs/dbraw/zinc/90/54/69/1187905469.db2.gz QIXCWBSIIOZUED-JYJNAYRXSA-N 2 1 376.501 0.766 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])cc2)CC1 ZINC000647594895 1187906388 /nfs/dbraw/zinc/90/63/88/1187906388.db2.gz XVCOREHWJAVTTJ-DLBZAZTESA-N 2 1 389.544 0.682 20 0 GCADMP O=S(=O)(c1ccc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1)N1CCOCC1 ZINC000613552590 1187922953 /nfs/dbraw/zinc/92/29/53/1187922953.db2.gz MLBDAEDBUSOBMH-HOTGVXAUSA-N 2 1 381.498 0.238 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345083 1187945333 /nfs/dbraw/zinc/94/53/33/1187945333.db2.gz YNZPOWLQCRQITN-RBUKOAKNSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345083 1187945334 /nfs/dbraw/zinc/94/53/34/1187945334.db2.gz YNZPOWLQCRQITN-RBUKOAKNSA-N 2 1 393.576 0.556 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659456772 1187961239 /nfs/dbraw/zinc/96/12/39/1187961239.db2.gz SFEOXTMQCKFJNG-PMACEKPBSA-N 2 1 393.576 0.814 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659455814 1187961249 /nfs/dbraw/zinc/96/12/49/1187961249.db2.gz DOSKKIHKYNSGNT-WOJBJXKFSA-N 2 1 393.576 0.814 20 0 GCADMP C[NH+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)C2)C1 ZINC000659534511 1187967916 /nfs/dbraw/zinc/96/79/16/1187967916.db2.gz AHVXZSGCIIRURT-NQIIRXRSSA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)C1 ZINC000659534511 1187967918 /nfs/dbraw/zinc/96/79/18/1187967918.db2.gz AHVXZSGCIIRURT-NQIIRXRSSA-N 2 1 391.560 0.169 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)C1 ZINC000659534511 1187967920 /nfs/dbraw/zinc/96/79/20/1187967920.db2.gz AHVXZSGCIIRURT-NQIIRXRSSA-N 2 1 391.560 0.169 20 0 GCADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000659680131 1187993260 /nfs/dbraw/zinc/99/32/60/1187993260.db2.gz AGXIEIYEYYZTPU-UHFFFAOYSA-N 2 1 386.456 0.025 20 0 GCADMP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000659686289 1187996974 /nfs/dbraw/zinc/99/69/74/1187996974.db2.gz YMESMTCHIGWOMF-OAHLLOKOSA-N 2 1 395.935 0.692 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000659688206 1187998238 /nfs/dbraw/zinc/99/82/38/1187998238.db2.gz UYCSQMLOWJOMBW-QGZVFWFLSA-N 2 1 376.501 0.589 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659698340 1187999480 /nfs/dbraw/zinc/99/94/80/1187999480.db2.gz IPSGBAPQXKPCED-MRXNPFEDSA-N 2 1 375.517 0.509 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659697207 1188001774 /nfs/dbraw/zinc/00/17/74/1188001774.db2.gz QYMJVWDMZRHWOL-SZMVWBNQSA-N 2 1 376.501 0.506 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C)C[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659697207 1188001778 /nfs/dbraw/zinc/00/17/78/1188001778.db2.gz QYMJVWDMZRHWOL-SZMVWBNQSA-N 2 1 376.501 0.506 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CCCC1 ZINC000659734499 1188019517 /nfs/dbraw/zinc/01/95/17/1188019517.db2.gz PHKAWNXRIMSTGI-UHFFFAOYSA-N 2 1 394.438 0.487 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000659756346 1188020761 /nfs/dbraw/zinc/02/07/61/1188020761.db2.gz QVCDRZNVLLODJM-SZMVWBNQSA-N 2 1 381.565 0.506 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H](O)[C@H](NC(=O)C3CC[NH+](CC4CC4)CC3)C2)CC[N@H+]1C ZINC001025742984 1188031369 /nfs/dbraw/zinc/03/13/69/1188031369.db2.gz TZBAINTXWPOIES-UTRMSSBJSA-N 2 1 392.544 0.137 20 0 GCADMP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781562 1188048167 /nfs/dbraw/zinc/04/81/67/1188048167.db2.gz CGZVHNYKNLUNQT-ROUUACIJSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781562 1188048170 /nfs/dbraw/zinc/04/81/70/1188048170.db2.gz CGZVHNYKNLUNQT-ROUUACIJSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000472781562 1188048174 /nfs/dbraw/zinc/04/81/74/1188048174.db2.gz CGZVHNYKNLUNQT-ROUUACIJSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)n1C ZINC000668867951 1188050590 /nfs/dbraw/zinc/05/05/90/1188050590.db2.gz WIHBVGZYRZWPIS-UHFFFAOYSA-N 2 1 376.505 0.341 20 0 GCADMP C[NH2+]CCNC(=O)C(=O)Nc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)ccc1F ZINC000415360005 1188060257 /nfs/dbraw/zinc/06/02/57/1188060257.db2.gz LCZJLUKXXPKDJO-CYBMUJFWSA-N 2 1 393.463 0.913 20 0 GCADMP C[NH2+]CCNC(=O)C(=O)Nc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)ccc1F ZINC000415360005 1188060263 /nfs/dbraw/zinc/06/02/63/1188060263.db2.gz LCZJLUKXXPKDJO-CYBMUJFWSA-N 2 1 393.463 0.913 20 0 GCADMP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415382415 1188068391 /nfs/dbraw/zinc/06/83/91/1188068391.db2.gz WCCZRUYRFSDKCS-HNNXBMFYSA-N 2 1 387.484 0.766 20 0 GCADMP CC[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])cc2)CC1 ZINC000415413739 1188074940 /nfs/dbraw/zinc/07/49/40/1188074940.db2.gz DVFYYINCZQAWEZ-OAHLLOKOSA-N 2 1 389.500 0.137 20 0 GCADMP CC[NH+]1CCN(c2nc(C(N)=O)cc(N3CC[N@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000892971332 1188080223 /nfs/dbraw/zinc/08/02/23/1188080223.db2.gz QJKMSIKBOBRXMV-CABCVRRESA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971332 1188080228 /nfs/dbraw/zinc/08/02/28/1188080228.db2.gz QJKMSIKBOBRXMV-CABCVRRESA-N 2 1 375.521 0.636 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@H]1C ZINC000892971332 1188080232 /nfs/dbraw/zinc/08/02/32/1188080232.db2.gz QJKMSIKBOBRXMV-CABCVRRESA-N 2 1 375.521 0.636 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CC1 ZINC000415453370 1188083950 /nfs/dbraw/zinc/08/39/50/1188083950.db2.gz NCZWWFOPNJYLCB-SFHVURJKSA-N 2 1 399.495 0.766 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000893011707 1188099569 /nfs/dbraw/zinc/09/95/69/1188099569.db2.gz MDNYKOLEISAPDG-OTWHNJEPSA-N 2 1 380.533 0.870 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021058 1188103515 /nfs/dbraw/zinc/10/35/15/1188103515.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021058 1188103521 /nfs/dbraw/zinc/10/35/21/1188103521.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021058 1188103524 /nfs/dbraw/zinc/10/35/24/1188103524.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021058 1188103527 /nfs/dbraw/zinc/10/35/27/1188103527.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021058 1188103531 /nfs/dbraw/zinc/10/35/31/1188103531.db2.gz CTVIKRDLCZKVHG-YTQUADARSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000415583885 1188111713 /nfs/dbraw/zinc/11/17/13/1188111713.db2.gz RUXNUBGAJHUVAZ-JQFCIGGWSA-N 2 1 387.484 0.711 20 0 GCADMP [NH3+]CC(F)(F)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415604532 1188121579 /nfs/dbraw/zinc/12/15/79/1188121579.db2.gz FZYHIZBOBIZXOJ-UHFFFAOYSA-N 2 1 386.468 0.927 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000377733592 1188123238 /nfs/dbraw/zinc/12/32/38/1188123238.db2.gz BIKXGPSJRBJCPE-MOPGFXCFSA-N 2 1 379.549 0.663 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000377734768 1188125814 /nfs/dbraw/zinc/12/58/14/1188125814.db2.gz OZZOUPWPTPKDPF-SFHVURJKSA-N 2 1 381.565 0.909 20 0 GCADMP C[N@@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1)C1CC1 ZINC000415704984 1188147318 /nfs/dbraw/zinc/14/73/18/1188147318.db2.gz HELWUYWFAHKOCD-HXUWFJFHSA-N 2 1 399.539 0.768 20 0 GCADMP C[NH+]1CCC(Oc2ccc(NC(=O)C(=O)N3CC[NH2+]C[C@@](C)(F)C3)cn2)CC1 ZINC000415780181 1188163695 /nfs/dbraw/zinc/16/36/95/1188163695.db2.gz KEPSYJOPELPHKL-LJQANCHMSA-N 2 1 393.463 0.653 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917279 1189373255 /nfs/dbraw/zinc/37/32/55/1189373255.db2.gz SGTBKIMLPPFYQG-MOPGFXCFSA-N 2 1 394.560 0.888 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC000377917279 1189373260 /nfs/dbraw/zinc/37/32/60/1189373260.db2.gz SGTBKIMLPPFYQG-MOPGFXCFSA-N 2 1 394.560 0.888 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000472915279 1189384111 /nfs/dbraw/zinc/38/41/11/1189384111.db2.gz RKLUVWSTIMBZMB-MSOLQXFVSA-N 2 1 381.565 0.813 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415968191 1189410791 /nfs/dbraw/zinc/41/07/91/1189410791.db2.gz XMHSVWXAUDOZDP-MAUKXSAKSA-N 2 1 388.516 0.962 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1-n1ccc(CC[NH3+])n1 ZINC001167727751 1189419558 /nfs/dbraw/zinc/41/95/58/1189419558.db2.gz BWFNJAJFSLNPIY-CQSZACIVSA-N 2 1 375.473 0.874 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000472948088 1189451875 /nfs/dbraw/zinc/45/18/75/1189451875.db2.gz GNCNMXTVEVPYTB-QGZVFWFLSA-N 2 1 383.537 0.339 20 0 GCADMP CCN1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000041720803 1189457863 /nfs/dbraw/zinc/45/78/63/1189457863.db2.gz BEHYIUXETMHTSR-UHFFFAOYSA-N 2 1 375.517 0.831 20 0 GCADMP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CC1 ZINC000363809500 1189494693 /nfs/dbraw/zinc/49/46/93/1189494693.db2.gz BOKGVUUJMQMNAX-LJQANCHMSA-N 2 1 381.565 0.907 20 0 GCADMP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000363809500 1189494697 /nfs/dbraw/zinc/49/46/97/1189494697.db2.gz BOKGVUUJMQMNAX-LJQANCHMSA-N 3 1 381.565 0.907 20 0 GCADMP COCc1ccccc1CNC(=O)CN1CCC(O)(CN2CCOCC2)CC1 ZINC000378436169 1189506964 /nfs/dbraw/zinc/50/69/64/1189506964.db2.gz YRZKVQLARSDNPT-UHFFFAOYSA-N 2 1 391.512 0.608 20 0 GCADMP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)CC1 ZINC001719858299 1189540865 /nfs/dbraw/zinc/54/08/65/1189540865.db2.gz MHBIKPVSZNRIKL-IKGGRYGDSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2nccc(N3CC[N@H+](C[C@H](C)O)C[C@@H]3C)n2)[C@H](C)C1 ZINC000893258904 1189549734 /nfs/dbraw/zinc/54/97/34/1189549734.db2.gz MCTZQDVNTOGFTO-MHORFTMASA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)n2)[C@@H](C)C1 ZINC000893258904 1189549737 /nfs/dbraw/zinc/54/97/37/1189549737.db2.gz MCTZQDVNTOGFTO-MHORFTMASA-N 2 1 392.548 0.259 20 0 GCADMP C[C@H](O)C[NH+]1CCN(c2ccnc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)n2)[C@@H](C)C1 ZINC000893258904 1189549740 /nfs/dbraw/zinc/54/97/40/1189549740.db2.gz MCTZQDVNTOGFTO-MHORFTMASA-N 2 1 392.548 0.259 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[NH+](C)C ZINC000416828506 1189586621 /nfs/dbraw/zinc/58/66/21/1189586621.db2.gz DXAMRIFDQGUXNZ-WMZOPIPTSA-N 2 1 375.517 0.987 20 0 GCADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951920 1189586965 /nfs/dbraw/zinc/58/69/65/1189586965.db2.gz VAIXVNIXVMHMJP-QAPCUYQASA-N 2 1 377.533 0.665 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951920 1189586966 /nfs/dbraw/zinc/58/69/66/1189586966.db2.gz VAIXVNIXVMHMJP-QAPCUYQASA-N 2 1 377.533 0.665 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@@H](C)O1 ZINC000416923996 1189594834 /nfs/dbraw/zinc/59/48/34/1189594834.db2.gz QNOAMJMVVDNRCG-OAGGEKHMSA-N 2 1 383.537 0.371 20 0 GCADMP CC(C)C[C@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCOCC1 ZINC000416943196 1189596427 /nfs/dbraw/zinc/59/64/27/1189596427.db2.gz SVFGYHVWXCDJNO-QZTJIDSGSA-N 2 1 397.564 0.762 20 0 GCADMP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C[NH3+])C1 ZINC000416941986 1189596432 /nfs/dbraw/zinc/59/64/32/1189596432.db2.gz CTCIDHPUAFBYOG-IAGOWNOFSA-N 2 1 375.521 0.758 20 0 GCADMP CC(C)[C@@H](CNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+]1CCOCC1 ZINC000416946762 1189599520 /nfs/dbraw/zinc/59/95/20/1189599520.db2.gz XOOXADLJKONNOQ-CABCVRRESA-N 2 1 395.470 0.479 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000416961008 1189600913 /nfs/dbraw/zinc/60/09/13/1189600913.db2.gz PCZUCBORMNNSLR-OKZBNKHCSA-N 2 1 387.532 0.676 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000511592786 1189600945 /nfs/dbraw/zinc/60/09/45/1189600945.db2.gz HPUYZTHUUWRMRC-JKSUJKDBSA-N 2 1 395.529 0.119 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2ncccn2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000416962273 1189601105 /nfs/dbraw/zinc/60/11/05/1189601105.db2.gz XYYICCVDSTWDDC-UHFFFAOYSA-N 2 1 387.532 0.774 20 0 GCADMP C[C@H]([NH3+])C1CCN(C(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000416960437 1189602502 /nfs/dbraw/zinc/60/25/02/1189602502.db2.gz WEZORQHPXLWONB-INIZCTEOSA-N 2 1 375.521 0.758 20 0 GCADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000416960296 1189602879 /nfs/dbraw/zinc/60/28/79/1189602879.db2.gz VWLHRSSWZIBJAJ-SJORKVTESA-N 2 1 375.521 0.805 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000417016178 1189607668 /nfs/dbraw/zinc/60/76/68/1189607668.db2.gz HYYKJPFFACNUJF-LJQANCHMSA-N 2 1 375.517 0.482 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015987 1189608160 /nfs/dbraw/zinc/60/81/60/1189608160.db2.gz HUFRISQLJBBFQV-RBUKOAKNSA-N 2 1 375.517 0.734 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015987 1189608163 /nfs/dbraw/zinc/60/81/63/1189608163.db2.gz HUFRISQLJBBFQV-RBUKOAKNSA-N 2 1 375.517 0.734 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)N2CCO[C@@H](C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000417015987 1189608167 /nfs/dbraw/zinc/60/81/67/1189608167.db2.gz HUFRISQLJBBFQV-RBUKOAKNSA-N 2 1 375.517 0.734 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)CCO1 ZINC000417028684 1189609983 /nfs/dbraw/zinc/60/99/83/1189609983.db2.gz UWZJYQNSSHSWIO-IBGZPJMESA-N 2 1 375.517 0.563 20 0 GCADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)C1 ZINC000417044346 1189612416 /nfs/dbraw/zinc/61/24/16/1189612416.db2.gz XVQKXSWLYVQBMX-KZNAEPCWSA-N 2 1 379.549 0.960 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2C[NH2+]C[C@@H]2O)C[C@@H](C)O1 ZINC000417113108 1189617873 /nfs/dbraw/zinc/61/78/73/1189617873.db2.gz MCRVEKPNQPKKAJ-LTDCPUDJSA-N 2 1 376.501 0.675 20 0 GCADMP C[C@H](C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)N1CC[NH+](C)CC1 ZINC000511604707 1189621221 /nfs/dbraw/zinc/62/12/21/1189621221.db2.gz QKUVLCLDFAPNRX-QGZVFWFLSA-N 2 1 395.592 0.565 20 0 GCADMP [NH3+]C[C@H]1CN(C(=O)NCCCCN2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000417158756 1189625985 /nfs/dbraw/zinc/62/59/85/1189625985.db2.gz OFQKCRZHKGWDGH-FQEVSTJZSA-N 2 1 389.544 0.954 20 0 GCADMP CC[C@H]([NH3+])CNC(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000417156727 1189628165 /nfs/dbraw/zinc/62/81/65/1189628165.db2.gz CAYANGLCZFANPH-INIZCTEOSA-N 2 1 377.489 0.884 20 0 GCADMP CO[C@H]1CCN(C(=O)NCCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C[NH3+])C1 ZINC000417371541 1189654807 /nfs/dbraw/zinc/65/48/07/1189654807.db2.gz WKCOOOHSQIDJLE-OALUTQOASA-N 2 1 390.532 0.741 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417435348 1189661706 /nfs/dbraw/zinc/66/17/06/1189661706.db2.gz YGDSPIUZKNUFKU-KURKYZTESA-N 2 1 379.549 0.960 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000417429266 1189662752 /nfs/dbraw/zinc/66/27/52/1189662752.db2.gz MSRUIIVKBYJUPB-MSOLQXFVSA-N 2 1 379.549 0.960 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)CC[C@@H]21 ZINC000584825491 1189683106 /nfs/dbraw/zinc/68/31/06/1189683106.db2.gz AXDRPHZHRDKRSS-OALUTQOASA-N 2 1 392.544 0.500 20 0 GCADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000584852703 1189691476 /nfs/dbraw/zinc/69/14/76/1189691476.db2.gz CPHKIAYILILGID-MRXNPFEDSA-N 2 1 388.516 0.002 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[C@H]1C ZINC000660257036 1189694522 /nfs/dbraw/zinc/69/45/22/1189694522.db2.gz FSDGXUGFXZXDFA-QYZOEREBSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C[C@H]1C ZINC000660257036 1189694527 /nfs/dbraw/zinc/69/45/27/1189694527.db2.gz FSDGXUGFXZXDFA-QYZOEREBSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+]1CC[C@H](N(C)C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C[C@H]1C ZINC000660257036 1189694530 /nfs/dbraw/zinc/69/45/30/1189694530.db2.gz FSDGXUGFXZXDFA-QYZOEREBSA-N 2 1 393.576 0.556 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)[C@H](C)C1 ZINC000417669474 1189694545 /nfs/dbraw/zinc/69/45/45/1189694545.db2.gz LIGMWOGFAWYGBJ-SQNIBIBYSA-N 2 1 397.564 0.620 20 0 GCADMP COc1cc2c(cc1OC)C[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)CC2 ZINC000417673080 1189695248 /nfs/dbraw/zinc/69/52/48/1189695248.db2.gz VLPYQFFRDGTSJV-KRWDZBQOSA-N 2 1 391.516 0.265 20 0 GCADMP COc1cc2c(cc1OC)C[N@@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCN1C)CC2 ZINC000417673080 1189695251 /nfs/dbraw/zinc/69/52/51/1189695251.db2.gz VLPYQFFRDGTSJV-KRWDZBQOSA-N 2 1 391.516 0.265 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000417705521 1189698199 /nfs/dbraw/zinc/69/81/99/1189698199.db2.gz MBELAKOYEYYTKZ-SUMDDJOVSA-N 2 1 377.533 0.949 20 0 GCADMP Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)CC2)[nH+]c1 ZINC000417725051 1189701037 /nfs/dbraw/zinc/70/10/37/1189701037.db2.gz FQCSRGBPAHOVPH-INIZCTEOSA-N 2 1 388.516 0.855 20 0 GCADMP C[C@@H](CNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000417758048 1189702712 /nfs/dbraw/zinc/70/27/12/1189702712.db2.gz UOMUNHWRECFZSL-LSDHHAIUSA-N 2 1 394.486 0.005 20 0 GCADMP C[C@H](NS(C)(=O)=O)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364218514 1189713881 /nfs/dbraw/zinc/71/38/81/1189713881.db2.gz QXUPXXLOFRLLRD-HNNXBMFYSA-N 2 1 388.578 0.579 20 0 GCADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)CCC(F)(F)F ZINC000418081608 1189721074 /nfs/dbraw/zinc/72/10/74/1189721074.db2.gz VQQINRVBBDPVOS-CYBMUJFWSA-N 2 1 381.443 0.757 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119211 1189725540 /nfs/dbraw/zinc/72/55/40/1189725540.db2.gz UOPDWRVDUAYLMC-QZTJIDSGSA-N 2 1 395.548 0.341 20 0 GCADMP COCC[NH2+]CCNC(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418513170 1189809047 /nfs/dbraw/zinc/80/90/47/1189809047.db2.gz UPYVFPVOFHBEBS-IAGOWNOFSA-N 2 1 386.537 0.522 20 0 GCADMP COCC[NH2+]CCNC(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418513710 1189810069 /nfs/dbraw/zinc/81/00/69/1189810069.db2.gz VPTKIXJJJLEUSO-FQEVSTJZSA-N 2 1 389.544 0.824 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@@H+]1C ZINC000974529692 1189838834 /nfs/dbraw/zinc/83/88/34/1189838834.db2.gz IWWJMHLTQLATJT-BRSBDYLESA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)CC[NH+]4CCOCC4)[C@@H]3C2)CC[N@H+]1C ZINC000974529692 1189838850 /nfs/dbraw/zinc/83/88/50/1189838850.db2.gz IWWJMHLTQLATJT-BRSBDYLESA-N 2 1 378.517 0.108 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000660532387 1189892055 /nfs/dbraw/zinc/89/20/55/1189892055.db2.gz HVPBNSWKSOKIHC-RCCFBDPRSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660532387 1189892059 /nfs/dbraw/zinc/89/20/59/1189892059.db2.gz HVPBNSWKSOKIHC-RCCFBDPRSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660532387 1189892063 /nfs/dbraw/zinc/89/20/63/1189892063.db2.gz HVPBNSWKSOKIHC-RCCFBDPRSA-N 2 1 378.517 0.110 20 0 GCADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000660542649 1189895979 /nfs/dbraw/zinc/89/59/79/1189895979.db2.gz AQRVBYZBDJAJME-MOPGFXCFSA-N 2 1 392.544 0.500 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652126999 1189903661 /nfs/dbraw/zinc/90/36/61/1189903661.db2.gz CXSZATFQLFSIAV-ULQDDVLXSA-N 2 1 381.521 0.078 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000660627494 1189917874 /nfs/dbraw/zinc/91/78/74/1189917874.db2.gz ZGGMRLJABUTGHJ-IBGZPJMESA-N 2 1 393.576 0.559 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCC1 ZINC000500433954 1189937632 /nfs/dbraw/zinc/93/76/32/1189937632.db2.gz VTFYHPFWZVCTQZ-UHFFFAOYSA-N 2 1 380.533 0.738 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)CC1 ZINC000660713380 1189939480 /nfs/dbraw/zinc/93/94/80/1189939480.db2.gz RQCDUJDYDJEZSK-AEFFLSMTSA-N 2 1 392.548 0.744 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)C1 ZINC000660744001 1189945468 /nfs/dbraw/zinc/94/54/68/1189945468.db2.gz MAYWFJHCVIVMSU-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CCN(CCO)C(C)(C)C2)C1 ZINC000660771965 1189948407 /nfs/dbraw/zinc/94/84/07/1189948407.db2.gz XGDQCHLVNDTIQZ-KRWDZBQOSA-N 2 1 380.533 0.092 20 0 GCADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771965 1189948409 /nfs/dbraw/zinc/94/84/09/1189948409.db2.gz XGDQCHLVNDTIQZ-KRWDZBQOSA-N 2 1 380.533 0.092 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000660771965 1189948411 /nfs/dbraw/zinc/94/84/11/1189948411.db2.gz XGDQCHLVNDTIQZ-KRWDZBQOSA-N 2 1 380.533 0.092 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000660771965 1189948415 /nfs/dbraw/zinc/94/84/15/1189948415.db2.gz XGDQCHLVNDTIQZ-KRWDZBQOSA-N 2 1 380.533 0.092 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)C1 ZINC000660771965 1189948417 /nfs/dbraw/zinc/94/84/17/1189948417.db2.gz XGDQCHLVNDTIQZ-KRWDZBQOSA-N 2 1 380.533 0.092 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660852695 1189957588 /nfs/dbraw/zinc/95/75/88/1189957588.db2.gz FVALSLIGIHJREH-MSOLQXFVSA-N 2 1 395.548 0.482 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660864877 1189959213 /nfs/dbraw/zinc/95/92/13/1189959213.db2.gz PWLHMVODDHNXQC-RTBURBONSA-N 2 1 381.565 0.813 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(NC(=O)N3CCOCC3)CC2)CC1 ZINC000660881654 1189962346 /nfs/dbraw/zinc/96/23/46/1189962346.db2.gz IEDKAVAEJXSWGQ-UHFFFAOYSA-N 2 1 381.521 0.093 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]32)O1 ZINC000975760911 1189972308 /nfs/dbraw/zinc/97/23/08/1189972308.db2.gz OTMOJFDTMKBXJA-VSZNYVQBSA-N 2 1 392.544 0.639 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@@H]32)O1 ZINC000975760911 1189972309 /nfs/dbraw/zinc/97/23/09/1189972309.db2.gz OTMOJFDTMKBXJA-VSZNYVQBSA-N 2 1 392.544 0.639 20 0 GCADMP [NH3+]CCn1cc(C(=O)Nc2ccc3[nH]c(CC[NH+]4CCOCC4)nc3c2)nn1 ZINC000662754756 1190021496 /nfs/dbraw/zinc/02/14/96/1190021496.db2.gz AHJSUWDDKSGLDK-UHFFFAOYSA-N 2 1 384.444 0.240 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661277279 1190025892 /nfs/dbraw/zinc/02/58/92/1190025892.db2.gz USLDKQUQMKIVER-INIZCTEOSA-N 2 1 389.500 0.034 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661277279 1190025893 /nfs/dbraw/zinc/02/58/93/1190025893.db2.gz USLDKQUQMKIVER-INIZCTEOSA-N 2 1 389.500 0.034 20 0 GCADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)(N2CCOCC2)CC1 ZINC000661311499 1190029067 /nfs/dbraw/zinc/02/90/67/1190029067.db2.gz KMBADPWMPGUFLC-QGZVFWFLSA-N 2 1 381.565 0.955 20 0 GCADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000662817249 1190040637 /nfs/dbraw/zinc/04/06/37/1190040637.db2.gz SNSZAEKBFMWKIN-ZACQAIPSSA-N 2 1 393.438 0.711 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CC[NH+](CC4CCOCC4)CC3)[C@H]2C1 ZINC000661403651 1190043264 /nfs/dbraw/zinc/04/32/64/1190043264.db2.gz YAIQTOPSSKTITP-MSOLQXFVSA-N 2 1 378.517 0.110 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000411019798 1193721565 /nfs/dbraw/zinc/72/15/65/1193721565.db2.gz FVFPIFVECVVNBR-MSOLQXFVSA-N 2 1 380.533 0.498 20 0 GCADMP C[C@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000512670990 1193731011 /nfs/dbraw/zinc/73/10/11/1193731011.db2.gz CLIFVFFKPCUUEX-RTBURBONSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000512670990 1193731013 /nfs/dbraw/zinc/73/10/13/1193731013.db2.gz CLIFVFFKPCUUEX-RTBURBONSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000512670990 1193731014 /nfs/dbraw/zinc/73/10/14/1193731014.db2.gz CLIFVFFKPCUUEX-RTBURBONSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](CNC(=O)NCCCC[NH+]1CCN(CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000512670989 1193731028 /nfs/dbraw/zinc/73/10/28/1193731028.db2.gz CLIFVFFKPCUUEX-RBUKOAKNSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000512670989 1193731030 /nfs/dbraw/zinc/73/10/30/1193731030.db2.gz CLIFVFFKPCUUEX-RBUKOAKNSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@H](CNC(=O)NCCCCN1CC[NH+](CCO)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000512670989 1193731031 /nfs/dbraw/zinc/73/10/31/1193731031.db2.gz CLIFVFFKPCUUEX-RBUKOAKNSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000512676258 1193731851 /nfs/dbraw/zinc/73/18/51/1193731851.db2.gz BLPICGWGVFJQKI-OALUTQOASA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512676258 1193731855 /nfs/dbraw/zinc/73/18/55/1193731855.db2.gz BLPICGWGVFJQKI-OALUTQOASA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000512676258 1193731857 /nfs/dbraw/zinc/73/18/57/1193731857.db2.gz BLPICGWGVFJQKI-OALUTQOASA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233972 1193744956 /nfs/dbraw/zinc/74/49/56/1193744956.db2.gz XAHLQPOYMJKDOM-MJGOQNOKSA-N 2 1 387.528 0.035 20 0 GCADMP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433144341 1193763566 /nfs/dbraw/zinc/76/35/66/1193763566.db2.gz BROLJHSQUQIKEB-UHFFFAOYSA-N 2 1 389.544 0.798 20 0 GCADMP C[NH+](C)CCOc1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1F ZINC000411480792 1193765745 /nfs/dbraw/zinc/76/57/45/1193765745.db2.gz WQFIAWBJMPHIAJ-OKILXGFUSA-N 2 1 378.448 0.725 20 0 GCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000419269917 1193777836 /nfs/dbraw/zinc/77/78/36/1193777836.db2.gz PUJYRFHMJYWZAF-LJQANCHMSA-N 2 1 388.512 0.593 20 0 GCADMP CCCN(C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000419273212 1193780021 /nfs/dbraw/zinc/78/00/21/1193780021.db2.gz WPEZYCHULDFVQW-IBGZPJMESA-N 2 1 388.512 0.736 20 0 GCADMP Cc1[nH+]ccn1CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419298607 1193792764 /nfs/dbraw/zinc/79/27/64/1193792764.db2.gz IMOYGSCGSSOPTO-WMLDXEAASA-N 2 1 391.422 0.848 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C(=O)NCCn2cc[nH+]c2C)cc1 ZINC000419305096 1193798955 /nfs/dbraw/zinc/79/89/55/1193798955.db2.gz WESHIKMPVLKPBS-ZWKOTPCHSA-N 2 1 385.468 0.578 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000576182575 1193801309 /nfs/dbraw/zinc/80/13/09/1193801309.db2.gz OESZPGISVGVVJH-KRWDZBQOSA-N 2 1 381.565 0.509 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000576182575 1193801314 /nfs/dbraw/zinc/80/13/14/1193801314.db2.gz OESZPGISVGVVJH-KRWDZBQOSA-N 2 1 381.565 0.509 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000576182575 1193801318 /nfs/dbraw/zinc/80/13/18/1193801318.db2.gz OESZPGISVGVVJH-KRWDZBQOSA-N 2 1 381.565 0.509 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324809 1193807346 /nfs/dbraw/zinc/80/73/46/1193807346.db2.gz CPRJCXMATSXKQZ-ROUUACIJSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324809 1193807351 /nfs/dbraw/zinc/80/73/51/1193807351.db2.gz CPRJCXMATSXKQZ-ROUUACIJSA-N 2 1 397.564 0.729 20 0 GCADMP C[C@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)CCCO1 ZINC000433324809 1193807354 /nfs/dbraw/zinc/80/73/54/1193807354.db2.gz CPRJCXMATSXKQZ-ROUUACIJSA-N 2 1 397.564 0.729 20 0 GCADMP COc1ccccc1[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)[NH+]1CCCCC1 ZINC000419330828 1193823244 /nfs/dbraw/zinc/82/32/44/1193823244.db2.gz CGJRANVBKGZLIL-QGZVFWFLSA-N 2 1 392.500 0.118 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc2)CC1 ZINC000419331283 1193824368 /nfs/dbraw/zinc/82/43/68/1193824368.db2.gz GVLLKSVWIKIMMO-QGZVFWFLSA-N 2 1 389.544 0.412 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000419336420 1193830274 /nfs/dbraw/zinc/83/02/74/1193830274.db2.gz KHXYJCJUFRVSTA-LJQANCHMSA-N 2 1 387.528 0.294 20 0 GCADMP CNC(=O)COc1cccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000513039524 1193830850 /nfs/dbraw/zinc/83/08/50/1193830850.db2.gz BDATXLNDRBVFPM-UHFFFAOYSA-N 2 1 384.484 0.643 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000419344014 1193836382 /nfs/dbraw/zinc/83/63/82/1193836382.db2.gz RLZJSUBEGXDYEP-UHFFFAOYSA-N 2 1 375.517 0.294 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000419346086 1193841795 /nfs/dbraw/zinc/84/17/95/1193841795.db2.gz UVCJULOLCFIYCS-LJQANCHMSA-N 2 1 387.528 0.248 20 0 GCADMP COC(=O)CC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000433451002 1193842612 /nfs/dbraw/zinc/84/26/12/1193842612.db2.gz AUAGZTGDVDDITD-SJORKVTESA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[N@H+]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000433451002 1193842619 /nfs/dbraw/zinc/84/26/19/1193842619.db2.gz AUAGZTGDVDDITD-SJORKVTESA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000433451002 1193842624 /nfs/dbraw/zinc/84/26/24/1193842624.db2.gz AUAGZTGDVDDITD-SJORKVTESA-N 2 1 384.521 0.766 20 0 GCADMP COC(=O)CC[NH+]1CCN(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)[C@H](C)C1 ZINC000433451002 1193842630 /nfs/dbraw/zinc/84/26/30/1193842630.db2.gz AUAGZTGDVDDITD-SJORKVTESA-N 2 1 384.521 0.766 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000419350834 1193846629 /nfs/dbraw/zinc/84/66/29/1193846629.db2.gz ZUIJULSYLFAOBH-QGZVFWFLSA-N 2 1 389.544 0.555 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000576347287 1193860366 /nfs/dbraw/zinc/86/03/66/1193860366.db2.gz WZYLNKZUMSKXOL-SFHVURJKSA-N 2 1 380.533 0.548 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000571455321 1193876977 /nfs/dbraw/zinc/87/69/77/1193876977.db2.gz PYDYLBJRZQDHDB-ROUUACIJSA-N 2 1 382.549 0.794 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419388452 1193898569 /nfs/dbraw/zinc/89/85/69/1193898569.db2.gz DRFAOJFXXFUOHP-SJORKVTESA-N 2 1 376.526 0.541 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419388452 1193898573 /nfs/dbraw/zinc/89/85/73/1193898573.db2.gz DRFAOJFXXFUOHP-SJORKVTESA-N 2 1 376.526 0.541 20 0 GCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389547 1193899114 /nfs/dbraw/zinc/89/91/14/1193899114.db2.gz FMRABUMXJYFGRY-KURKYZTESA-N 2 1 390.553 0.964 20 0 GCADMP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389547 1193899120 /nfs/dbraw/zinc/89/91/20/1193899120.db2.gz FMRABUMXJYFGRY-KURKYZTESA-N 2 1 390.553 0.964 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C[C@H]1[NH3+] ZINC000419388843 1193899998 /nfs/dbraw/zinc/89/99/98/1193899998.db2.gz DRGZDFAPXMWUIK-HYVNUMGLSA-N 2 1 376.526 0.526 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C[C@H]1[NH3+] ZINC000419388843 1193900006 /nfs/dbraw/zinc/90/00/06/1193900006.db2.gz DRGZDFAPXMWUIK-HYVNUMGLSA-N 2 1 376.526 0.526 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)CCN1 ZINC000419388976 1193900459 /nfs/dbraw/zinc/90/04/59/1193900459.db2.gz KUYIPRSWESLTEI-XOKHGSTOSA-N 2 1 394.903 0.648 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)CC1=O ZINC000261670000 1193922893 /nfs/dbraw/zinc/92/28/93/1193922893.db2.gz GIABROIVONWCCN-GVDBMIGSSA-N 2 1 388.516 0.226 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2nccn2C)CC1=O ZINC000261670000 1193922894 /nfs/dbraw/zinc/92/28/94/1193922894.db2.gz GIABROIVONWCCN-GVDBMIGSSA-N 2 1 388.516 0.226 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1=O ZINC000261928723 1193932101 /nfs/dbraw/zinc/93/21/01/1193932101.db2.gz JLGATHYQOSZCDM-IPMKNSEASA-N 2 1 385.512 0.887 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)CC1=O ZINC000261928723 1193932105 /nfs/dbraw/zinc/93/21/05/1193932105.db2.gz JLGATHYQOSZCDM-IPMKNSEASA-N 2 1 385.512 0.887 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000262028679 1193936488 /nfs/dbraw/zinc/93/64/88/1193936488.db2.gz BFONDDVKSSJNEE-SFHVURJKSA-N 2 1 390.484 0.342 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000664175856 1193948300 /nfs/dbraw/zinc/94/83/00/1193948300.db2.gz ROGWFODOZNOMGD-MSOLQXFVSA-N 2 1 395.548 0.470 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491755 1193956247 /nfs/dbraw/zinc/95/62/47/1193956247.db2.gz JHFPBTBMOWQALY-CVEARBPZSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1)C(C)(C)C[NH+](C)C ZINC000513491758 1193956266 /nfs/dbraw/zinc/95/62/66/1193956266.db2.gz JHFPBTBMOWQALY-JKSUJKDBSA-N 2 1 382.549 0.791 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCC[C@H]3NS(C)(=O)=O)cn2)CC1 ZINC000430017740 1193959250 /nfs/dbraw/zinc/95/92/50/1193959250.db2.gz UDNSZRSAEZALMA-HZPDHXFCSA-N 2 1 382.534 0.178 20 0 GCADMP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664205971 1193959330 /nfs/dbraw/zinc/95/93/30/1193959330.db2.gz HZZFRDXXMNSRLS-DSLXNQLJSA-N 2 1 376.501 0.592 20 0 GCADMP C[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664205971 1193959333 /nfs/dbraw/zinc/95/93/33/1193959333.db2.gz HZZFRDXXMNSRLS-DSLXNQLJSA-N 2 1 376.501 0.592 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1ccnc(N2C[C@H](C)[NH+](CCO)C[C@@H]2C)n1 ZINC000894234100 1193968510 /nfs/dbraw/zinc/96/85/10/1193968510.db2.gz RWOBENAUYLGVJW-XDNAFOTISA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1c1ccnc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)n1 ZINC000894234100 1193968513 /nfs/dbraw/zinc/96/85/13/1193968513.db2.gz RWOBENAUYLGVJW-XDNAFOTISA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H]1C[NH+](CCO)[C@H](C)CN1c1ccnc(N2C[C@H](C)[N@@H+](CCO)C[C@@H]2C)n1 ZINC000894234100 1193968517 /nfs/dbraw/zinc/96/85/17/1193968517.db2.gz RWOBENAUYLGVJW-XDNAFOTISA-N 2 1 392.548 0.259 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261807121 1194010681 /nfs/dbraw/zinc/01/06/81/1194010681.db2.gz JGMJRPRGXBFMIN-PKOBYXMFSA-N 3 1 393.576 0.556 20 0 GCADMP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261807121 1194010685 /nfs/dbraw/zinc/01/06/85/1194010685.db2.gz JGMJRPRGXBFMIN-PKOBYXMFSA-N 2 1 393.576 0.556 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419398950 1194019396 /nfs/dbraw/zinc/01/93/96/1194019396.db2.gz IUQYPOMNOYILNC-MSOLQXFVSA-N 2 1 390.553 0.836 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]C1)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419398950 1194019398 /nfs/dbraw/zinc/01/93/98/1194019398.db2.gz IUQYPOMNOYILNC-MSOLQXFVSA-N 2 1 390.553 0.836 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000419401760 1194019847 /nfs/dbraw/zinc/01/98/47/1194019847.db2.gz PLAQGSHSKGCHRO-INIZCTEOSA-N 2 1 376.526 0.718 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CCC1 ZINC000419401760 1194019852 /nfs/dbraw/zinc/01/98/52/1194019852.db2.gz PLAQGSHSKGCHRO-INIZCTEOSA-N 2 1 376.526 0.718 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402095 1194020089 /nfs/dbraw/zinc/02/00/89/1194020089.db2.gz QEIUFXUAVHQNRA-NXHRZFHOSA-N 2 1 390.553 0.977 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000419402095 1194020091 /nfs/dbraw/zinc/02/00/91/1194020091.db2.gz QEIUFXUAVHQNRA-NXHRZFHOSA-N 2 1 390.553 0.977 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCCN1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419404912 1194020970 /nfs/dbraw/zinc/02/09/70/1194020970.db2.gz UHLQJCCVOIITGN-MJGOQNOKSA-N 2 1 387.528 0.035 20 0 GCADMP CC[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+]1CCc2ccccc2C1 ZINC000419404046 1194021206 /nfs/dbraw/zinc/02/12/06/1194021206.db2.gz FGPYXGRVNRNNIE-OALUTQOASA-N 2 1 388.512 0.434 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419408232 1194021708 /nfs/dbraw/zinc/02/17/08/1194021708.db2.gz CHXIMBLFCKLIAO-FHWLQOOXSA-N 2 1 390.528 0.882 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419408232 1194021711 /nfs/dbraw/zinc/02/17/11/1194021711.db2.gz CHXIMBLFCKLIAO-FHWLQOOXSA-N 2 1 390.528 0.882 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419406659 1194022018 /nfs/dbraw/zinc/02/20/18/1194022018.db2.gz XBHDXDTZJDWTJS-WBVHZDCISA-N 2 1 378.542 0.834 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419406659 1194022021 /nfs/dbraw/zinc/02/20/21/1194022021.db2.gz XBHDXDTZJDWTJS-WBVHZDCISA-N 2 1 378.542 0.834 20 0 GCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000419420250 1194023446 /nfs/dbraw/zinc/02/34/46/1194023446.db2.gz MTHUYODWNYRDFJ-IBGZPJMESA-N 2 1 387.528 0.118 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000419421709 1194023456 /nfs/dbraw/zinc/02/34/56/1194023456.db2.gz PJHFHZKUMNLVPR-IBGZPJMESA-N 2 1 387.528 0.164 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420919 1194024089 /nfs/dbraw/zinc/02/40/89/1194024089.db2.gz NYRBVUNNVJNKIJ-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420919 1194024093 /nfs/dbraw/zinc/02/40/93/1194024093.db2.gz NYRBVUNNVJNKIJ-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000419420919 1194024098 /nfs/dbraw/zinc/02/40/98/1194024098.db2.gz NYRBVUNNVJNKIJ-MOPGFXCFSA-N 2 1 387.528 0.350 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423117 1194024940 /nfs/dbraw/zinc/02/49/40/1194024940.db2.gz YCUPMASXZXBUCW-SZMVWBNQSA-N 2 1 376.501 0.493 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H](C)C[NH3+])[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423117 1194024943 /nfs/dbraw/zinc/02/49/43/1194024943.db2.gz YCUPMASXZXBUCW-SZMVWBNQSA-N 2 1 376.501 0.493 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419424738 1194025460 /nfs/dbraw/zinc/02/54/60/1194025460.db2.gz ULIYLQRPFATYMW-SJLPKXTDSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419424738 1194025464 /nfs/dbraw/zinc/02/54/64/1194025464.db2.gz ULIYLQRPFATYMW-SJLPKXTDSA-N 2 1 375.517 0.335 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419424738 1194025468 /nfs/dbraw/zinc/02/54/68/1194025468.db2.gz ULIYLQRPFATYMW-SJLPKXTDSA-N 2 1 375.517 0.335 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)c1 ZINC000501008789 1194027564 /nfs/dbraw/zinc/02/75/64/1194027564.db2.gz VPVBKFUJDFCNBA-UHFFFAOYSA-N 2 1 377.489 0.913 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409194 1194028738 /nfs/dbraw/zinc/02/87/38/1194028738.db2.gz DUCOGKQXQVPIIQ-CEXWTWQISA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409194 1194028744 /nfs/dbraw/zinc/02/87/44/1194028744.db2.gz DUCOGKQXQVPIIQ-CEXWTWQISA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409574 1194029017 /nfs/dbraw/zinc/02/90/17/1194029017.db2.gz FIHHJDFJJPHHHM-QYZOEREBSA-N 2 1 388.512 0.603 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409574 1194029020 /nfs/dbraw/zinc/02/90/20/1194029020.db2.gz FIHHJDFJJPHHHM-QYZOEREBSA-N 2 1 388.512 0.603 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419410792 1194029058 /nfs/dbraw/zinc/02/90/58/1194029058.db2.gz GSVHLLYSGFQXTJ-ROUUACIJSA-N 2 1 376.501 0.508 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N[C@@H](CC)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419410792 1194029060 /nfs/dbraw/zinc/02/90/60/1194029060.db2.gz GSVHLLYSGFQXTJ-ROUUACIJSA-N 2 1 376.501 0.508 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410911 1194029763 /nfs/dbraw/zinc/02/97/63/1194029763.db2.gz AVOGBQYZECEJAG-MJGOQNOKSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410911 1194029767 /nfs/dbraw/zinc/02/97/67/1194029767.db2.gz AVOGBQYZECEJAG-MJGOQNOKSA-N 2 1 387.528 0.289 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CC[C@H](C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000419410911 1194029772 /nfs/dbraw/zinc/02/97/72/1194029772.db2.gz AVOGBQYZECEJAG-MJGOQNOKSA-N 2 1 387.528 0.289 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419413548 1194030654 /nfs/dbraw/zinc/03/06/54/1194030654.db2.gz KZRBGVOGLYDLDM-QYZOEREBSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419413548 1194030659 /nfs/dbraw/zinc/03/06/59/1194030659.db2.gz KZRBGVOGLYDLDM-QYZOEREBSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415878 1194031229 /nfs/dbraw/zinc/03/12/29/1194031229.db2.gz NZOSDEIUDNQLMS-IPMKNSEASA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415878 1194031233 /nfs/dbraw/zinc/03/12/33/1194031233.db2.gz NZOSDEIUDNQLMS-IPMKNSEASA-N 2 1 388.512 0.636 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000419415282 1194031410 /nfs/dbraw/zinc/03/14/10/1194031410.db2.gz HQCUEXAOKKAUKD-IBGZPJMESA-N 2 1 387.528 0.431 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)N2CCC([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000419415282 1194031415 /nfs/dbraw/zinc/03/14/15/1194031415.db2.gz HQCUEXAOKKAUKD-IBGZPJMESA-N 2 1 387.528 0.431 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419415874 1194031818 /nfs/dbraw/zinc/03/18/18/1194031818.db2.gz NZOSDEIUDNQLMS-FHWLQOOXSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419415874 1194031821 /nfs/dbraw/zinc/03/18/21/1194031821.db2.gz NZOSDEIUDNQLMS-FHWLQOOXSA-N 2 1 388.512 0.636 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416267 1194032418 /nfs/dbraw/zinc/03/24/18/1194032418.db2.gz OMVMFHGCBZWVJG-MOPGFXCFSA-N 2 1 390.528 0.850 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416267 1194032423 /nfs/dbraw/zinc/03/24/23/1194032423.db2.gz OMVMFHGCBZWVJG-MOPGFXCFSA-N 2 1 390.528 0.850 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416270 1194032620 /nfs/dbraw/zinc/03/26/20/1194032620.db2.gz OMVMFHGCBZWVJG-RBUKOAKNSA-N 2 1 390.528 0.850 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416270 1194032623 /nfs/dbraw/zinc/03/26/23/1194032623.db2.gz OMVMFHGCBZWVJG-RBUKOAKNSA-N 2 1 390.528 0.850 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419416269 1194032690 /nfs/dbraw/zinc/03/26/90/1194032690.db2.gz OMVMFHGCBZWVJG-OALUTQOASA-N 2 1 390.528 0.850 20 0 GCADMP CC[C@H](NC(=O)C(=O)N(C)CCC[NH2+]C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419416269 1194032695 /nfs/dbraw/zinc/03/26/95/1194032695.db2.gz OMVMFHGCBZWVJG-OALUTQOASA-N 2 1 390.528 0.850 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419455605 1194033398 /nfs/dbraw/zinc/03/33/98/1194033398.db2.gz XJOZGAQGCOPPOU-ZWKOTPCHSA-N 2 1 387.528 0.381 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419446035 1194036621 /nfs/dbraw/zinc/03/66/21/1194036621.db2.gz FOZQLGCCYAHJGH-WWDZGPRUSA-N 2 1 387.528 0.699 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419448528 1194036665 /nfs/dbraw/zinc/03/66/65/1194036665.db2.gz IYZBWDGMKOJBAH-FGTMMUONSA-N 2 1 387.528 0.509 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000419453225 1194037567 /nfs/dbraw/zinc/03/75/67/1194037567.db2.gz REOXNOVILRBNOL-DOTOQJQBSA-N 2 1 380.464 0.163 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419452406 1194037599 /nfs/dbraw/zinc/03/75/99/1194037599.db2.gz PIMXXZTVTFWGCC-ROUUACIJSA-N 2 1 389.544 0.947 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419454891 1194038358 /nfs/dbraw/zinc/03/83/58/1194038358.db2.gz UZCUPBJKOKPQBM-SQNIBIBYSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@H]1C[C@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@H+]1Cc1ccccc1 ZINC000419481299 1194041356 /nfs/dbraw/zinc/04/13/56/1194041356.db2.gz WQLXWJHMIACIQG-WMZOPIPTSA-N 2 1 376.501 0.183 20 0 GCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)C[N@H+]1Cc1ccccc1 ZINC000419468076 1194043439 /nfs/dbraw/zinc/04/34/39/1194043439.db2.gz AQFYSPXTAKRAER-QRQLOZEOSA-N 2 1 388.512 0.508 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000419503424 1194046662 /nfs/dbraw/zinc/04/66/62/1194046662.db2.gz HMBCQSIJSWKZHD-ZWKOTPCHSA-N 2 1 387.528 0.381 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419532454 1194050116 /nfs/dbraw/zinc/05/01/16/1194050116.db2.gz MTTNGCSPCVJYCL-AHCXZYCDSA-N 2 1 388.512 0.852 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000419532457 1194050274 /nfs/dbraw/zinc/05/02/74/1194050274.db2.gz MTTNGCSPCVJYCL-LMSBXDPUSA-N 2 1 388.512 0.852 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419512239 1194050768 /nfs/dbraw/zinc/05/07/68/1194050768.db2.gz WUZNWTIROOMCCQ-QZTJIDSGSA-N 2 1 389.544 0.803 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419511078 1194050868 /nfs/dbraw/zinc/05/08/68/1194050868.db2.gz VAUFKEZMMSGCMU-ZWKOTPCHSA-N 2 1 389.544 0.947 20 0 GCADMP C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H](CC[N@@H+](C)CCOC)c2ccccc2)C1 ZINC000419536747 1194055045 /nfs/dbraw/zinc/05/50/45/1194055045.db2.gz MLYLYOZQYHEHTA-QZTJIDSGSA-N 2 1 376.501 0.633 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000419594719 1194067753 /nfs/dbraw/zinc/06/77/53/1194067753.db2.gz UYPWPQDQIQHJJZ-KZNAEPCWSA-N 2 1 380.533 0.722 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000419596025 1194068118 /nfs/dbraw/zinc/06/81/18/1194068118.db2.gz XKMWBJGADKRYNQ-KZNAEPCWSA-N 2 1 380.533 0.722 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000419735400 1194087927 /nfs/dbraw/zinc/08/79/27/1194087927.db2.gz QHFZCNLKRQAUKZ-GUDVDZBRSA-N 2 1 392.544 0.864 20 0 GCADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419720919 1194092719 /nfs/dbraw/zinc/09/27/19/1194092719.db2.gz JCMBEYHRLNPWLB-GASCZTMLSA-N 2 1 392.450 0.723 20 0 GCADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419721170 1194092879 /nfs/dbraw/zinc/09/28/79/1194092879.db2.gz JFASKQSXBXTOBI-OAHLLOKOSA-N 2 1 380.439 0.914 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000419769211 1194102126 /nfs/dbraw/zinc/10/21/26/1194102126.db2.gz DKRUXIHZMBPPGG-CVEARBPZSA-N 2 1 395.548 0.069 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000419802818 1194106884 /nfs/dbraw/zinc/10/68/84/1194106884.db2.gz AWRLUSPUKYYZMG-GOSISDBHSA-N 2 1 395.592 0.805 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000419804220 1194107006 /nfs/dbraw/zinc/10/70/06/1194107006.db2.gz CUJOMNHXUKJDJF-ZACQAIPSSA-N 2 1 392.500 0.888 20 0 GCADMP C[C@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000419815215 1194113131 /nfs/dbraw/zinc/11/31/31/1194113131.db2.gz JKJDTIUKQIEKGJ-TXPKVOOTSA-N 2 1 388.512 0.780 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419839905 1194118815 /nfs/dbraw/zinc/11/88/15/1194118815.db2.gz YVUITUOTHQFIIP-SJLPKXTDSA-N 2 1 375.517 0.192 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000419854176 1194121559 /nfs/dbraw/zinc/12/15/59/1194121559.db2.gz BIGMBBFHHSGRFD-RVKKMQEKSA-N 2 1 380.533 0.578 20 0 GCADMP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861058 1194124034 /nfs/dbraw/zinc/12/40/34/1194124034.db2.gz DBTYTRMXGWTEAS-ROUUACIJSA-N 2 1 387.528 0.129 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419861058 1194124036 /nfs/dbraw/zinc/12/40/36/1194124036.db2.gz DBTYTRMXGWTEAS-ROUUACIJSA-N 2 1 387.528 0.129 20 0 GCADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863719 1194125522 /nfs/dbraw/zinc/12/55/22/1194125522.db2.gz IBMZJWFQSBOCQH-HKUYNNGSSA-N 2 1 387.528 0.350 20 0 GCADMP C[C@H](CNC(=O)C(=O)NCCCN1CC[NH2+]CC1)[N@@H+](C)Cc1ccccc1 ZINC000419864438 1194126353 /nfs/dbraw/zinc/12/63/53/1194126353.db2.gz IWHUYHRFRFFJPM-QGZVFWFLSA-N 2 1 375.517 0.035 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)C1 ZINC000419868186 1194126887 /nfs/dbraw/zinc/12/68/87/1194126887.db2.gz LRTNHMKNRHDJCV-MSOLQXFVSA-N 2 1 379.549 0.121 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419869726 1194127341 /nfs/dbraw/zinc/12/73/41/1194127341.db2.gz JQOHXHJCEJYMKQ-BHIYHBOVSA-N 2 1 388.512 0.857 20 0 GCADMP CN(C(=O)C(=O)N[C@H]1CC[NH2+]C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419875548 1194129676 /nfs/dbraw/zinc/12/96/76/1194129676.db2.gz HFLWHXTUDYRFDN-CGTJXYLNSA-N 2 1 379.549 0.260 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1 ZINC000419882823 1194132272 /nfs/dbraw/zinc/13/22/72/1194132272.db2.gz VMTSFARZKYAZLI-SNRMKQJTSA-N 2 1 388.512 0.810 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)NCCN2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000419884515 1194132862 /nfs/dbraw/zinc/13/28/62/1194132862.db2.gz NZIJOBUAEVSBCB-SFHVURJKSA-N 2 1 387.528 0.131 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419896984 1194135626 /nfs/dbraw/zinc/13/56/26/1194135626.db2.gz VEJHSLSZXOOMQJ-QZTJIDSGSA-N 2 1 381.565 0.508 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000419930662 1194140304 /nfs/dbraw/zinc/14/03/04/1194140304.db2.gz OKSGXJHUXHXEGL-ROUUACIJSA-N 2 1 376.501 0.762 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1CCOC ZINC000419930662 1194140306 /nfs/dbraw/zinc/14/03/06/1194140306.db2.gz OKSGXJHUXHXEGL-ROUUACIJSA-N 2 1 376.501 0.762 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419906659 1194141174 /nfs/dbraw/zinc/14/11/74/1194141174.db2.gz AOLVMWRAUWWLEI-SCTDSRPQSA-N 2 1 394.560 0.840 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419910645 1194142005 /nfs/dbraw/zinc/14/20/05/1194142005.db2.gz PTWBWXWITIZUSS-UHFFFAOYSA-N 2 1 375.517 0.383 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967467 1194149433 /nfs/dbraw/zinc/14/94/33/1194149433.db2.gz BFAXVCIHNQXHLN-CRAIPNDOSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967470 1194149584 /nfs/dbraw/zinc/14/95/84/1194149584.db2.gz BFAXVCIHNQXHLN-YJBOKZPZSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967469 1194149631 /nfs/dbraw/zinc/14/96/31/1194149631.db2.gz BFAXVCIHNQXHLN-QAPCUYQASA-N 2 1 380.533 0.722 20 0 GCADMP C[C@H]1C[N@H+](C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)CCO1 ZINC000419967468 1194149747 /nfs/dbraw/zinc/14/97/47/1194149747.db2.gz BFAXVCIHNQXHLN-MAUKXSAKSA-N 2 1 380.533 0.722 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000419973133 1194150407 /nfs/dbraw/zinc/15/04/07/1194150407.db2.gz IWGZIOJOYIPNLB-GOSISDBHSA-N 2 1 376.501 0.829 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000419973133 1194150410 /nfs/dbraw/zinc/15/04/10/1194150410.db2.gz IWGZIOJOYIPNLB-GOSISDBHSA-N 2 1 376.501 0.829 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419980588 1194151880 /nfs/dbraw/zinc/15/18/80/1194151880.db2.gz RANAVTOFHPABOK-MSOLQXFVSA-N 2 1 375.517 0.994 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419988237 1194152739 /nfs/dbraw/zinc/15/27/39/1194152739.db2.gz ZJBURFGSCODKDM-ZACQAIPSSA-N 2 1 398.548 0.075 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419988237 1194152742 /nfs/dbraw/zinc/15/27/42/1194152742.db2.gz ZJBURFGSCODKDM-ZACQAIPSSA-N 2 1 398.548 0.075 20 0 GCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419988603 1194153445 /nfs/dbraw/zinc/15/34/45/1194153445.db2.gz ZTPHAQNYNJUQJD-ZWKOTPCHSA-N 2 1 379.549 0.121 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000419995104 1194154533 /nfs/dbraw/zinc/15/45/33/1194154533.db2.gz HSAOJBCPZJIZCJ-ZIFCJYIRSA-N 2 1 394.560 0.983 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000420009010 1194157212 /nfs/dbraw/zinc/15/72/12/1194157212.db2.gz CFVXSMONGDNNEM-HSFUPAIVSA-N 2 1 380.533 0.720 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NC[C@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420023952 1194158256 /nfs/dbraw/zinc/15/82/56/1194158256.db2.gz AXVWYIPQJZRLJE-GDBMZVCRSA-N 2 1 390.484 0.989 20 0 GCADMP CN(C(=O)C(=O)N[C@@H](C[NH3+])C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420024088 1194158359 /nfs/dbraw/zinc/15/83/59/1194158359.db2.gz AEIGIJWNTMSHTI-IPMKNSEASA-N 2 1 393.576 0.636 20 0 GCADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@@H]2C)CC1 ZINC000420023955 1194159097 /nfs/dbraw/zinc/15/90/97/1194159097.db2.gz AXVWYIPQJZRLJE-ZBFHGGJFSA-N 2 1 390.484 0.989 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420055165 1194171092 /nfs/dbraw/zinc/17/10/92/1194171092.db2.gz HQMDVRGUYFNVLU-AEFFLSMTSA-N 2 1 388.512 0.950 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)C[C@H](C)O1 ZINC000420082488 1194174321 /nfs/dbraw/zinc/17/43/21/1194174321.db2.gz JMHSDINNHZCIAB-JTDSTZFVSA-N 2 1 394.560 0.968 20 0 GCADMP C[N@@H+](CCN1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000420088594 1194175491 /nfs/dbraw/zinc/17/54/91/1194175491.db2.gz IFRVJZCVPNJJRX-UHFFFAOYSA-N 2 1 387.528 0.260 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000420111503 1194181263 /nfs/dbraw/zinc/18/12/63/1194181263.db2.gz CSZDCFCTOYINLA-WMZOPIPTSA-N 2 1 382.549 0.840 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000420111500 1194181408 /nfs/dbraw/zinc/18/14/08/1194181408.db2.gz CSZDCFCTOYINLA-SJLPKXTDSA-N 2 1 382.549 0.840 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)C[C@H](C)O1 ZINC000420137173 1194184623 /nfs/dbraw/zinc/18/46/23/1194184623.db2.gz WRYUQSOAMZARQH-VXIBKDFQSA-N 2 1 394.560 0.839 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@@H](C)O1 ZINC000420149190 1194193837 /nfs/dbraw/zinc/19/38/37/1194193837.db2.gz HNZWQRZXIZUVMP-CHWSQXEVSA-N 2 1 376.448 0.044 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000420177084 1194195434 /nfs/dbraw/zinc/19/54/34/1194195434.db2.gz BNTKFTMQDLIGSI-UHFFFAOYSA-N 2 1 392.500 0.082 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000420177084 1194195436 /nfs/dbraw/zinc/19/54/36/1194195436.db2.gz BNTKFTMQDLIGSI-UHFFFAOYSA-N 2 1 392.500 0.082 20 0 GCADMP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000420177552 1194195582 /nfs/dbraw/zinc/19/55/82/1194195582.db2.gz SETXBCQHIWHAID-OKILXGFUSA-N 2 1 390.475 0.435 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CCN(C(=O)C(=O)NCC(F)(F)C[NH3+])CC2)C[C@H](C)O1 ZINC000420177552 1194195583 /nfs/dbraw/zinc/19/55/83/1194195583.db2.gz SETXBCQHIWHAID-OKILXGFUSA-N 2 1 390.475 0.435 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501589398 1194197884 /nfs/dbraw/zinc/19/78/84/1194197884.db2.gz PAGHOKQTXNDBQU-MJGOQNOKSA-N 2 1 394.560 0.936 20 0 GCADMP O=C(NCCC1=CC[NH2+]CC1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420168385 1194199604 /nfs/dbraw/zinc/19/96/04/1194199604.db2.gz STVBYQBIGVHLQF-UHFFFAOYSA-N 2 1 376.526 0.861 20 0 GCADMP C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000420170530 1194200271 /nfs/dbraw/zinc/20/02/71/1194200271.db2.gz SDRNCZYCZYXQQS-QZTJIDSGSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420174201 1194201593 /nfs/dbraw/zinc/20/15/93/1194201593.db2.gz YGOCNDHHQJWHSF-RDJZCZTQSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420174200 1194201892 /nfs/dbraw/zinc/20/18/92/1194201892.db2.gz YGOCNDHHQJWHSF-NVXWUHKLSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420188576 1194205990 /nfs/dbraw/zinc/20/59/90/1194205990.db2.gz NHMMFZMFCZAXQX-HKUYNNGSSA-N 2 1 388.512 0.604 20 0 GCADMP CN(C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000420188518 1194206039 /nfs/dbraw/zinc/20/60/39/1194206039.db2.gz NALLDAOBBNWZTR-RBUKOAKNSA-N 2 1 388.512 0.604 20 0 GCADMP O=C(NC[C@H]1C[NH2+]CCO1)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000420189285 1194206670 /nfs/dbraw/zinc/20/66/70/1194206670.db2.gz DHKRYTUEMDREQO-LJQANCHMSA-N 2 1 388.512 0.258 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420194687 1194208120 /nfs/dbraw/zinc/20/81/20/1194208120.db2.gz SSRKROOSSWRZHR-MJGOQNOKSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420194684 1194208318 /nfs/dbraw/zinc/20/83/18/1194208318.db2.gz SSRKROOSSWRZHR-IEBWSBKVSA-N 2 1 394.560 0.984 20 0 GCADMP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000501599010 1194209064 /nfs/dbraw/zinc/20/90/64/1194209064.db2.gz RDCCQWLFRNGQDY-MRXNPFEDSA-N 2 1 378.517 0.300 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000420222144 1194209372 /nfs/dbraw/zinc/20/93/72/1194209372.db2.gz RLZHMUQSBXTFEE-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000420222144 1194209376 /nfs/dbraw/zinc/20/93/76/1194209376.db2.gz RLZHMUQSBXTFEE-MOPGFXCFSA-N 2 1 388.512 0.604 20 0 GCADMP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420221751 1194209958 /nfs/dbraw/zinc/20/99/58/1194209958.db2.gz ZYZGPHQGXYBVCL-IXDOHACOSA-N 2 1 390.553 0.939 20 0 GCADMP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000420221750 1194210186 /nfs/dbraw/zinc/21/01/86/1194210186.db2.gz ZYZGPHQGXYBVCL-GVDBMIGSSA-N 2 1 390.553 0.939 20 0 GCADMP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000420208443 1194211533 /nfs/dbraw/zinc/21/15/33/1194211533.db2.gz QZTZJAMIHCJBLI-UONOGXRCSA-N 2 1 394.438 0.343 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501634550 1194216155 /nfs/dbraw/zinc/21/61/55/1194216155.db2.gz DNJMGCNNQCBWMZ-ROUUACIJSA-N 2 1 394.560 0.794 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000501634548 1194216325 /nfs/dbraw/zinc/21/63/25/1194216325.db2.gz DNJMGCNNQCBWMZ-MSOLQXFVSA-N 2 1 394.560 0.794 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000501641534 1194218148 /nfs/dbraw/zinc/21/81/48/1194218148.db2.gz PPQQYUWYCIUDHY-NZSAHSFTSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC[N@H+]1C[C@@H](C)O ZINC000501641534 1194218150 /nfs/dbraw/zinc/21/81/50/1194218150.db2.gz PPQQYUWYCIUDHY-NZSAHSFTSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC[NH+]1C[C@@H](C)O ZINC000501641534 1194218155 /nfs/dbraw/zinc/21/81/55/1194218155.db2.gz PPQQYUWYCIUDHY-NZSAHSFTSA-N 2 1 394.560 0.671 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC[NH+]1C[C@@H](C)O ZINC000501641534 1194218160 /nfs/dbraw/zinc/21/81/60/1194218160.db2.gz PPQQYUWYCIUDHY-NZSAHSFTSA-N 2 1 394.560 0.671 20 0 GCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346429 1194222489 /nfs/dbraw/zinc/22/24/89/1194222489.db2.gz CTPYEFPVNWVNQF-CVEARBPZSA-N 2 1 376.501 0.861 20 0 GCADMP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000420346429 1194222492 /nfs/dbraw/zinc/22/24/92/1194222492.db2.gz CTPYEFPVNWVNQF-CVEARBPZSA-N 2 1 376.501 0.861 20 0 GCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)NCCc1ccc(OC(F)F)cc1 ZINC000420345623 1194222627 /nfs/dbraw/zinc/22/26/27/1194222627.db2.gz AUKOQHZVUGWNIJ-MRXNPFEDSA-N 2 1 382.455 0.926 20 0 GCADMP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000420351390 1194223190 /nfs/dbraw/zinc/22/31/90/1194223190.db2.gz WVCRBFVCCNDRMA-OALUTQOASA-N 2 1 376.476 0.705 20 0 GCADMP C[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420374238 1194227039 /nfs/dbraw/zinc/22/70/39/1194227039.db2.gz HFPNVMAGSXGISM-IAGOWNOFSA-N 2 1 394.541 0.436 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000420374238 1194227042 /nfs/dbraw/zinc/22/70/42/1194227042.db2.gz HFPNVMAGSXGISM-IAGOWNOFSA-N 2 1 394.541 0.436 20 0 GCADMP C[C@H]1CC[N@@H+](CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420408558 1194229464 /nfs/dbraw/zinc/22/94/64/1194229464.db2.gz PMRTTYNVNLWUAA-HOCLYGCPSA-N 2 1 382.530 0.300 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000501827337 1194232334 /nfs/dbraw/zinc/23/23/34/1194232334.db2.gz KPHWRQWMBIZOOF-ZWOKBUDYSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000501827337 1194232339 /nfs/dbraw/zinc/23/23/39/1194232339.db2.gz KPHWRQWMBIZOOF-ZWOKBUDYSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@@H](C)C1 ZINC000501827337 1194232344 /nfs/dbraw/zinc/23/23/44/1194232344.db2.gz KPHWRQWMBIZOOF-ZWOKBUDYSA-N 2 1 390.528 0.850 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)[NH+](C)C ZINC000420813430 1194266741 /nfs/dbraw/zinc/26/67/41/1194266741.db2.gz HHUYMSOROQMYSB-WBVHZDCISA-N 2 1 376.501 0.967 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+]1C)[NH+](C)C ZINC000420813430 1194266742 /nfs/dbraw/zinc/26/67/42/1194266742.db2.gz HHUYMSOROQMYSB-WBVHZDCISA-N 2 1 376.501 0.967 20 0 GCADMP C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000647907941 1194282223 /nfs/dbraw/zinc/28/22/23/1194282223.db2.gz VSXKQDGQMAFLHA-HUHSQHJXSA-N 2 1 394.541 0.440 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000421407667 1194336748 /nfs/dbraw/zinc/33/67/48/1194336748.db2.gz MGPNRKZAZDYNDS-QGZVFWFLSA-N 2 1 376.501 0.796 20 0 GCADMP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000502851569 1194362938 /nfs/dbraw/zinc/36/29/38/1194362938.db2.gz OTXFVLHCLMRIBA-IRXDYDNUSA-N 2 1 380.533 0.642 20 0 GCADMP O=C(NC[C@@H]1CCCN(C(=O)NCC[NH+]2CCSCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000577164203 1194363505 /nfs/dbraw/zinc/36/35/05/1194363505.db2.gz ULOMJHXJYVDZKL-HOTGVXAUSA-N 2 1 383.562 0.325 20 0 GCADMP O=C(NC[C@H]1CCCN(C(=O)NCC[NH+]2CCSCC2)C1)[C@H]1CCC[NH2+]1 ZINC000577164204 1194363513 /nfs/dbraw/zinc/36/35/13/1194363513.db2.gz ULOMJHXJYVDZKL-HZPDHXFCSA-N 2 1 383.562 0.325 20 0 GCADMP C[NH+](C)CCOC1CCN(C(=O)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000549957451 1194382387 /nfs/dbraw/zinc/38/23/87/1194382387.db2.gz VJCKAUFQPKVYNV-INIZCTEOSA-N 2 1 380.489 0.568 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N(C)CC[N@@H+](C)C3CC3)CC2)CC1 ZINC000422103926 1194386619 /nfs/dbraw/zinc/38/66/19/1194386619.db2.gz HVKREYMHNVTTQX-UHFFFAOYSA-N 2 1 393.576 0.558 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000422111729 1194392825 /nfs/dbraw/zinc/39/28/25/1194392825.db2.gz DKNAXDIXBZBHBW-ZIFCJYIRSA-N 2 1 394.560 0.887 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000422111729 1194392830 /nfs/dbraw/zinc/39/28/30/1194392830.db2.gz DKNAXDIXBZBHBW-ZIFCJYIRSA-N 2 1 394.560 0.887 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000422111729 1194392834 /nfs/dbraw/zinc/39/28/34/1194392834.db2.gz DKNAXDIXBZBHBW-ZIFCJYIRSA-N 2 1 394.560 0.887 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[NH+]2C)CC1 ZINC000422136091 1194397504 /nfs/dbraw/zinc/39/75/04/1194397504.db2.gz KQHWUNXSEJYWTF-OTWHNJEPSA-N 2 1 393.576 0.556 20 0 GCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422136091 1194397508 /nfs/dbraw/zinc/39/75/08/1194397508.db2.gz KQHWUNXSEJYWTF-OTWHNJEPSA-N 2 1 393.576 0.556 20 0 GCADMP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000422136091 1194397513 /nfs/dbraw/zinc/39/75/13/1194397513.db2.gz KQHWUNXSEJYWTF-OTWHNJEPSA-N 2 1 393.576 0.556 20 0 GCADMP C[NH+](C)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1 ZINC000272355333 1194452611 /nfs/dbraw/zinc/45/26/11/1194452611.db2.gz LNGOJSVUNAJXON-UHFFFAOYSA-N 2 1 383.518 0.696 20 0 GCADMP C[NH+](C)CCNC(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000272355333 1194452614 /nfs/dbraw/zinc/45/26/14/1194452614.db2.gz LNGOJSVUNAJXON-UHFFFAOYSA-N 2 1 383.518 0.696 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000272642665 1194481678 /nfs/dbraw/zinc/48/16/78/1194481678.db2.gz YYKLFOCYUHSFBL-UHFFFAOYSA-N 2 1 392.548 0.801 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000272674334 1194486193 /nfs/dbraw/zinc/48/61/93/1194486193.db2.gz KVDRZBFYDCSMRH-UHFFFAOYSA-N 2 1 389.500 0.973 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000273010420 1194530614 /nfs/dbraw/zinc/53/06/14/1194530614.db2.gz RDLROHHIYXBFQI-VQTJNVASSA-N 2 1 389.544 0.688 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000273010420 1194530617 /nfs/dbraw/zinc/53/06/17/1194530617.db2.gz RDLROHHIYXBFQI-VQTJNVASSA-N 2 1 389.544 0.688 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000273058405 1194534770 /nfs/dbraw/zinc/53/47/70/1194534770.db2.gz WZQREWXSSRINMM-IBGZPJMESA-N 2 1 378.517 0.973 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC000422260839 1194601022 /nfs/dbraw/zinc/60/10/22/1194601022.db2.gz DDLOMPQCNWQVCL-CVEARBPZSA-N 2 1 378.525 0.436 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2nnnn2CC1 ZINC000422260840 1194601184 /nfs/dbraw/zinc/60/11/84/1194601184.db2.gz DDLOMPQCNWQVCL-HOTGVXAUSA-N 2 1 378.525 0.436 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)NCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000422261839 1194601624 /nfs/dbraw/zinc/60/16/24/1194601624.db2.gz PWUDGOGGYGXLPF-UHFFFAOYSA-N 2 1 379.549 0.215 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000422291439 1194605224 /nfs/dbraw/zinc/60/52/24/1194605224.db2.gz GLIDVQMDLWOHBX-UHFFFAOYSA-N 2 1 393.576 0.606 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000422378183 1194627059 /nfs/dbraw/zinc/62/70/59/1194627059.db2.gz LTGJEBPEGKMURP-RTBURBONSA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000422378183 1194627062 /nfs/dbraw/zinc/62/70/62/1194627062.db2.gz LTGJEBPEGKMURP-RTBURBONSA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000422378183 1194627066 /nfs/dbraw/zinc/62/70/66/1194627066.db2.gz LTGJEBPEGKMURP-RTBURBONSA-N 2 1 388.512 0.422 20 0 GCADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000422395134 1194635167 /nfs/dbraw/zinc/63/51/67/1194635167.db2.gz IMJCEHHRFYZKGQ-IPMKNSEASA-N 2 1 394.560 0.812 20 0 GCADMP CC[N@H+](CCO)CCNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000274353577 1194642827 /nfs/dbraw/zinc/64/28/27/1194642827.db2.gz BOFJOCPMSLQSCE-QGZVFWFLSA-N 2 1 377.489 0.572 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)Nc1cccc(C[NH+]2CCC[C@@H]2C(N)=O)c1 ZINC000274353577 1194642829 /nfs/dbraw/zinc/64/28/29/1194642829.db2.gz BOFJOCPMSLQSCE-QGZVFWFLSA-N 2 1 377.489 0.572 20 0 GCADMP CC[NH+](CCO)CCNC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000274353577 1194642831 /nfs/dbraw/zinc/64/28/31/1194642831.db2.gz BOFJOCPMSLQSCE-QGZVFWFLSA-N 2 1 377.489 0.572 20 0 GCADMP CC[NH+](CCO)CCNC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000274353577 1194642834 /nfs/dbraw/zinc/64/28/34/1194642834.db2.gz BOFJOCPMSLQSCE-QGZVFWFLSA-N 2 1 377.489 0.572 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NCc3ccc4c[nH+]cn4c3)CC2)CCO1 ZINC000422470728 1194646996 /nfs/dbraw/zinc/64/69/96/1194646996.db2.gz HEWPLFCNXHUZDA-OAHLLOKOSA-N 2 1 385.468 0.662 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[NH+](C)C1CC1 ZINC000422459469 1194649746 /nfs/dbraw/zinc/64/97/46/1194649746.db2.gz YTKUPIPSHKJXKY-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000422459469 1194649748 /nfs/dbraw/zinc/64/97/48/1194649748.db2.gz YTKUPIPSHKJXKY-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000422459469 1194649749 /nfs/dbraw/zinc/64/97/49/1194649749.db2.gz YTKUPIPSHKJXKY-MRXNPFEDSA-N 2 1 380.533 0.689 20 0 GCADMP C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000422497878 1194652386 /nfs/dbraw/zinc/65/23/86/1194652386.db2.gz WLJLGJBNOGBYKQ-QZTJIDSGSA-N 2 1 380.533 0.405 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497476 1194652437 /nfs/dbraw/zinc/65/24/37/1194652437.db2.gz VNVKSFALOYJCTJ-RDGPPVDQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497476 1194652439 /nfs/dbraw/zinc/65/24/39/1194652439.db2.gz VNVKSFALOYJCTJ-RDGPPVDQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000422497476 1194652441 /nfs/dbraw/zinc/65/24/41/1194652441.db2.gz VNVKSFALOYJCTJ-RDGPPVDQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000422497476 1194652443 /nfs/dbraw/zinc/65/24/43/1194652443.db2.gz VNVKSFALOYJCTJ-RDGPPVDQSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000422497478 1194652590 /nfs/dbraw/zinc/65/25/90/1194652590.db2.gz VNVKSFALOYJCTJ-YRXWBPOGSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000422497478 1194652593 /nfs/dbraw/zinc/65/25/93/1194652593.db2.gz VNVKSFALOYJCTJ-YRXWBPOGSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCN1C1CC[NH+](C)CC1 ZINC000422490162 1194656474 /nfs/dbraw/zinc/65/64/74/1194656474.db2.gz MKAKOHRXVJFVDB-MSOLQXFVSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CC[C@H](NC(=O)C(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000422536754 1194664821 /nfs/dbraw/zinc/66/48/21/1194664821.db2.gz DMLBARRHXXMPRD-LNLFQRSKSA-N 2 1 394.560 0.935 20 0 GCADMP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(=O)NCC[NH+]1CCC1 ZINC000503594626 1194697798 /nfs/dbraw/zinc/69/77/98/1194697798.db2.gz QPFBIMSPIBRUKQ-UHFFFAOYSA-N 2 1 389.500 0.598 20 0 GCADMP O=C(NCC[NH+]1CCC1)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000503605226 1194698714 /nfs/dbraw/zinc/69/87/14/1194698714.db2.gz UCFHOARXBQZEBM-UHFFFAOYSA-N 2 1 385.512 0.979 20 0 GCADMP O=C(NCCN1CCC1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000503653481 1194705429 /nfs/dbraw/zinc/70/54/29/1194705429.db2.gz FEUAIHLAKRJYIU-UHFFFAOYSA-N 2 1 399.495 0.734 20 0 GCADMP Cc1ccc(S(=O)(=O)NCC[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414700353 1194705488 /nfs/dbraw/zinc/70/54/88/1194705488.db2.gz GFQATZOTDKJJEV-INIZCTEOSA-N 2 1 382.530 0.402 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423046934 1194718862 /nfs/dbraw/zinc/71/88/62/1194718862.db2.gz GIQNIMKMONKQBN-CALCHBBNSA-N 2 1 388.512 0.938 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)cc1 ZINC000423046934 1194718865 /nfs/dbraw/zinc/71/88/65/1194718865.db2.gz GIQNIMKMONKQBN-CALCHBBNSA-N 2 1 388.512 0.938 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CC[NH+](CCc4ccccc4)CC3)C[C@@H]21 ZINC000423038787 1194720820 /nfs/dbraw/zinc/72/08/20/1194720820.db2.gz PBILKXSKBCHFCT-HSALFYBXSA-N 2 1 384.524 0.959 20 0 GCADMP CCN(C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423060850 1194722713 /nfs/dbraw/zinc/72/27/13/1194722713.db2.gz PJDDTZNRYOSYGG-RBUKOAKNSA-N 2 1 388.512 0.686 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000423052416 1194724686 /nfs/dbraw/zinc/72/46/86/1194724686.db2.gz QMWZHKGMBWKXQA-UHFFFAOYSA-N 2 1 376.501 0.797 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1 ZINC000423052416 1194724690 /nfs/dbraw/zinc/72/46/90/1194724690.db2.gz QMWZHKGMBWKXQA-UHFFFAOYSA-N 2 1 376.501 0.797 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000423088001 1194726426 /nfs/dbraw/zinc/72/64/26/1194726426.db2.gz QUMQBCBVRCCBQN-LJQANCHMSA-N 2 1 393.576 0.463 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CC[NH+](CCc2cccs2)CC1 ZINC000423102869 1194727810 /nfs/dbraw/zinc/72/78/10/1194727810.db2.gz AFPMSCXASREPLT-HZPDHXFCSA-N 2 1 376.526 0.503 20 0 GCADMP O=C(C(=O)N1CC[NH+](CCc2cccs2)CC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423115765 1194727948 /nfs/dbraw/zinc/72/79/48/1194727948.db2.gz ODKNQENHHWXSHB-JKSUJKDBSA-N 2 1 376.526 0.503 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423128168 1194729150 /nfs/dbraw/zinc/72/91/50/1194729150.db2.gz KLIMGLWXVBVWHZ-RYQLBKOJSA-N 2 1 379.549 0.057 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423128168 1194729153 /nfs/dbraw/zinc/72/91/53/1194729153.db2.gz KLIMGLWXVBVWHZ-RYQLBKOJSA-N 2 1 379.549 0.057 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183289 1194733468 /nfs/dbraw/zinc/73/34/68/1194733468.db2.gz GCQMOKVOJKBWNS-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423183289 1194733471 /nfs/dbraw/zinc/73/34/71/1194733471.db2.gz GCQMOKVOJKBWNS-ZIFCJYIRSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423182807 1194733521 /nfs/dbraw/zinc/73/35/21/1194733521.db2.gz FNYKHPKUSUMORA-INIZCTEOSA-N 2 1 394.438 0.297 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[C@@H]1[NH3+] ZINC000423183324 1194733565 /nfs/dbraw/zinc/73/35/65/1194733565.db2.gz GIICNKOCCFPDDR-KGLIPLIRSA-N 2 1 394.438 0.295 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[C@@H]1[NH3+] ZINC000423183323 1194733652 /nfs/dbraw/zinc/73/36/52/1194733652.db2.gz GIICNKOCCFPDDR-KBPBESRZSA-N 2 1 394.438 0.295 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423185648 1194734078 /nfs/dbraw/zinc/73/40/78/1194734078.db2.gz JXISFVWCYMUXFA-MHORFTMASA-N 2 1 380.533 0.674 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423185648 1194734080 /nfs/dbraw/zinc/73/40/80/1194734080.db2.gz JXISFVWCYMUXFA-MHORFTMASA-N 2 1 380.533 0.674 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423185651 1194734115 /nfs/dbraw/zinc/73/41/15/1194734115.db2.gz JXISFVWCYMUXFA-XDNAFOTISA-N 2 1 380.533 0.674 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)C[C@H](C)O1 ZINC000423185651 1194734118 /nfs/dbraw/zinc/73/41/18/1194734118.db2.gz JXISFVWCYMUXFA-XDNAFOTISA-N 2 1 380.533 0.674 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423166633 1194734385 /nfs/dbraw/zinc/73/43/85/1194734385.db2.gz RJOKXHMBGOWLKD-HSALFYBXSA-N 2 1 399.539 0.962 20 0 GCADMP C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000423207891 1194737130 /nfs/dbraw/zinc/73/71/30/1194737130.db2.gz HJLNADAGVKQYOZ-HDICACEKSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423212058 1194737332 /nfs/dbraw/zinc/73/73/32/1194737332.db2.gz ZOGHUPAHCWCXAI-FGTMMUONSA-N 2 1 394.560 0.922 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423193640 1194738163 /nfs/dbraw/zinc/73/81/63/1194738163.db2.gz XPVWHUUXDABUQL-AWEZNQCLSA-N 2 1 394.438 0.310 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000423193327 1194738255 /nfs/dbraw/zinc/73/82/55/1194738255.db2.gz XDBWZEPCMPRDTH-CYBMUJFWSA-N 2 1 380.411 0.049 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000423191784 1194738320 /nfs/dbraw/zinc/73/83/20/1194738320.db2.gz TYUXIHHEFDHSJL-FGTMMUONSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000423191784 1194738321 /nfs/dbraw/zinc/73/83/21/1194738321.db2.gz TYUXIHHEFDHSJL-FGTMMUONSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423203365 1194739483 /nfs/dbraw/zinc/73/94/83/1194739483.db2.gz CINVBHICYNDDCI-RDGPPVDQSA-N 2 1 393.576 0.589 20 0 GCADMP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214539 1194740269 /nfs/dbraw/zinc/74/02/69/1194740269.db2.gz PCASWHUNRPNSIA-CEXWTWQISA-N 2 1 393.576 0.461 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1CC ZINC000423266313 1194743062 /nfs/dbraw/zinc/74/30/62/1194743062.db2.gz BOYHUWIYBYJFRL-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)C[C@H]1CC ZINC000423266313 1194743064 /nfs/dbraw/zinc/74/30/64/1194743064.db2.gz BOYHUWIYBYJFRL-GOSISDBHSA-N 2 1 394.560 0.938 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000423386645 1194752995 /nfs/dbraw/zinc/75/29/95/1194752995.db2.gz MDYGEDCWEAILAT-AOIWGVFYSA-N 2 1 388.512 0.684 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000423386645 1194752996 /nfs/dbraw/zinc/75/29/96/1194752996.db2.gz MDYGEDCWEAILAT-AOIWGVFYSA-N 2 1 388.512 0.684 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000423445217 1194755892 /nfs/dbraw/zinc/75/58/92/1194755892.db2.gz MMEMBANSHVWZBT-UHFFFAOYSA-N 2 1 380.533 0.405 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000423449808 1194756034 /nfs/dbraw/zinc/75/60/34/1194756034.db2.gz SDZATYUDONZRKV-UHFFFAOYSA-N 2 1 382.549 0.794 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000423452461 1194756557 /nfs/dbraw/zinc/75/65/57/1194756557.db2.gz WJVXTZHUAIEMSI-YESZJQIVSA-N 2 1 380.533 0.389 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000423439139 1194757672 /nfs/dbraw/zinc/75/76/72/1194757672.db2.gz HMGXZCRHJKSTRJ-OAQYLSRUSA-N 2 1 394.560 0.795 20 0 GCADMP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)C1 ZINC000414746634 1194758681 /nfs/dbraw/zinc/75/86/81/1194758681.db2.gz LVPNOQFZBKADES-AWEZNQCLSA-N 2 1 380.439 0.920 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000423500619 1194759665 /nfs/dbraw/zinc/75/96/65/1194759665.db2.gz KOVHABWDRFSSMG-AEFFLSMTSA-N 2 1 380.533 0.676 20 0 GCADMP CN(C(=O)C(=O)N1CC[C@@H]([NH3+])C1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423497990 1194759811 /nfs/dbraw/zinc/75/98/11/1194759811.db2.gz AUWRMCGUFMPEKK-KBAYOESNSA-N 2 1 379.549 0.342 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423528076 1194761164 /nfs/dbraw/zinc/76/11/64/1194761164.db2.gz NRRCPOKVWRBULQ-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423528076 1194761165 /nfs/dbraw/zinc/76/11/65/1194761165.db2.gz NRRCPOKVWRBULQ-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP CN(C(=O)C(=O)N1CC[NH2+]CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000423530538 1194761519 /nfs/dbraw/zinc/76/15/19/1194761519.db2.gz PPGBOLQLGSYKTK-ROUUACIJSA-N 2 1 379.549 0.214 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]CC)CC2)CC[N@@H+]1CCOC ZINC000423532322 1194761846 /nfs/dbraw/zinc/76/18/46/1194761846.db2.gz VDMHAXJCLKNWPB-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N2CCC(C[NH2+]CC)CC2)CC[N@H+]1CCOC ZINC000423532322 1194761848 /nfs/dbraw/zinc/76/18/48/1194761848.db2.gz VDMHAXJCLKNWPB-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1)CC(C)C ZINC000423516858 1194762401 /nfs/dbraw/zinc/76/24/01/1194762401.db2.gz HBYXHHPDRZWINK-SFHVURJKSA-N 2 1 382.549 0.779 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423520126 1194762545 /nfs/dbraw/zinc/76/25/45/1194762545.db2.gz DSCXLDFEPRANJZ-RTBURBONSA-N 2 1 388.512 0.686 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423520126 1194762546 /nfs/dbraw/zinc/76/25/46/1194762546.db2.gz DSCXLDFEPRANJZ-RTBURBONSA-N 2 1 388.512 0.686 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423524493 1194763047 /nfs/dbraw/zinc/76/30/47/1194763047.db2.gz JNEGWAQANBYGMV-GBESFXJTSA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423524493 1194763049 /nfs/dbraw/zinc/76/30/49/1194763049.db2.gz JNEGWAQANBYGMV-GBESFXJTSA-N 2 1 394.560 0.794 20 0 GCADMP C[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000423572964 1194768468 /nfs/dbraw/zinc/76/84/68/1194768468.db2.gz QLCDAKLQSWEHSX-GHTZIAJQSA-N 2 1 388.512 0.292 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423576257 1194769574 /nfs/dbraw/zinc/76/95/74/1194769574.db2.gz XUIBFMOSFYOVFK-OAQYLSRUSA-N 2 1 388.512 0.279 20 0 GCADMP C[C@H]1CNCCN1C(=O)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000423588792 1194771758 /nfs/dbraw/zinc/77/17/58/1194771758.db2.gz BIBUIRGTTOGZPT-KRWDZBQOSA-N 3 1 393.576 0.461 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423603388 1194772059 /nfs/dbraw/zinc/77/20/59/1194772059.db2.gz FDUCTQRJDLAHFN-VQTJNVASSA-N 2 1 399.539 0.225 20 0 GCADMP C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423610601 1194773029 /nfs/dbraw/zinc/77/30/29/1194773029.db2.gz REBMGMYUNGONOP-ICSRJNTNSA-N 2 1 399.539 0.225 20 0 GCADMP [NH3+]C[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423643907 1194777431 /nfs/dbraw/zinc/77/74/31/1194777431.db2.gz XSNYFEGUSQEIHU-UXHICEINSA-N 2 1 399.539 0.212 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000423659183 1194780572 /nfs/dbraw/zinc/78/05/72/1194780572.db2.gz YYDSWOAAMUODSJ-AEFFLSMTSA-N 2 1 382.549 0.779 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000423659186 1194780650 /nfs/dbraw/zinc/78/06/50/1194780650.db2.gz YYDSWOAAMUODSJ-WMZOPIPTSA-N 2 1 382.549 0.779 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000423667313 1194781826 /nfs/dbraw/zinc/78/18/26/1194781826.db2.gz JHDAFBUCKRGBST-UHFFFAOYSA-N 2 1 389.544 0.460 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423648858 1194782706 /nfs/dbraw/zinc/78/27/06/1194782706.db2.gz JBZPITRSMWKALK-XMTFNYHQSA-N 2 1 379.549 0.199 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000423715903 1194788257 /nfs/dbraw/zinc/78/82/57/1194788257.db2.gz HYEXJQVGWXIHRP-KRWDZBQOSA-N 2 1 375.517 0.068 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000423741927 1194790802 /nfs/dbraw/zinc/79/08/02/1194790802.db2.gz YROCYOJFJAQHAE-FYQPLNBISA-N 2 1 382.508 0.787 20 0 GCADMP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000423749619 1194791955 /nfs/dbraw/zinc/79/19/55/1194791955.db2.gz SYCWSZUPSAEHTP-CEXWTWQISA-N 2 1 393.576 0.604 20 0 GCADMP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000423740203 1194792788 /nfs/dbraw/zinc/79/27/88/1194792788.db2.gz IQBYUSYHHDTEMG-LPHOPBHVSA-N 2 1 381.565 0.303 20 0 GCADMP C[C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C[C@H]1C[NH3+] ZINC000424068520 1194800545 /nfs/dbraw/zinc/80/05/45/1194800545.db2.gz IABBWJGBJXZTGS-XMTFNYHQSA-N 2 1 380.533 0.532 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000424444244 1194811679 /nfs/dbraw/zinc/81/16/79/1194811679.db2.gz ZLHOETRVLZAGLG-HXUWFJFHSA-N 2 1 396.491 0.928 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000424446001 1194811952 /nfs/dbraw/zinc/81/19/52/1194811952.db2.gz GPSLSNYKYMQEJU-HNNXBMFYSA-N 2 1 375.473 0.096 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652730009 1194812082 /nfs/dbraw/zinc/81/20/82/1194812082.db2.gz DTIVSJQGPNYRBS-ICBNADEASA-N 2 1 392.544 0.674 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424491749 1194816612 /nfs/dbraw/zinc/81/66/12/1194816612.db2.gz FNAZBGMKGPOCQI-SJORKVTESA-N 2 1 380.533 0.546 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424491749 1194816614 /nfs/dbraw/zinc/81/66/14/1194816614.db2.gz FNAZBGMKGPOCQI-SJORKVTESA-N 2 1 380.533 0.546 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000424491744 1194816674 /nfs/dbraw/zinc/81/66/74/1194816674.db2.gz FNAZBGMKGPOCQI-DLBZAZTESA-N 2 1 380.533 0.546 20 0 GCADMP CC[C@@H]1CN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000424491744 1194816677 /nfs/dbraw/zinc/81/66/77/1194816677.db2.gz FNAZBGMKGPOCQI-DLBZAZTESA-N 2 1 380.533 0.546 20 0 GCADMP CCOCC[N@@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1CC ZINC000424491690 1194816736 /nfs/dbraw/zinc/81/67/36/1194816736.db2.gz FFEQJPOYPLTQSA-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP CCOCC[N@H+]1CCN(C(=O)C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)C[C@@H]1CC ZINC000424491690 1194816737 /nfs/dbraw/zinc/81/67/37/1194816737.db2.gz FFEQJPOYPLTQSA-ROUUACIJSA-N 2 1 394.560 0.936 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424491474 1194816745 /nfs/dbraw/zinc/81/67/45/1194816745.db2.gz DMBZQDYAALQFKU-MSOLQXFVSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491517 1194816755 /nfs/dbraw/zinc/81/67/55/1194816755.db2.gz DSFNXJSDAHTZEX-KRWDZBQOSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491517 1194816756 /nfs/dbraw/zinc/81/67/56/1194816756.db2.gz DSFNXJSDAHTZEX-KRWDZBQOSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N1CCC([N@H+]3CCO[C@H](C)C3)CC1)CC[NH2+]CC2 ZINC000424494703 1194817330 /nfs/dbraw/zinc/81/73/30/1194817330.db2.gz OGAVYYASMCBPRK-IAGOWNOFSA-N 2 1 392.544 0.689 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000424500585 1194818576 /nfs/dbraw/zinc/81/85/76/1194818576.db2.gz CVVSYWAYIIENFG-ZYSHUDEJSA-N 2 1 398.511 0.310 20 0 GCADMP Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)C[C@H]2[NH3+])cn1 ZINC000424539698 1194819316 /nfs/dbraw/zinc/81/93/16/1194819316.db2.gz CUZNEDCNJHPECF-OKZBNKHCSA-N 2 1 388.516 0.054 20 0 GCADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424535226 1194820184 /nfs/dbraw/zinc/82/01/84/1194820184.db2.gz ZYAOEVVPDVKQQM-FGTMMUONSA-N 2 1 390.532 0.300 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424543003 1194822513 /nfs/dbraw/zinc/82/25/13/1194822513.db2.gz FXRFRONYIBFPTM-IXDOHACOSA-N 2 1 376.505 0.054 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000424540497 1194822766 /nfs/dbraw/zinc/82/27/66/1194822766.db2.gz GHWJGCAKRPCODT-UHFFFAOYSA-N 2 1 382.549 0.984 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434450579 1194845393 /nfs/dbraw/zinc/84/53/93/1194845393.db2.gz QRLDVHWOQOORHS-RBUKOAKNSA-N 2 1 392.544 0.833 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434450579 1194845396 /nfs/dbraw/zinc/84/53/96/1194845396.db2.gz QRLDVHWOQOORHS-RBUKOAKNSA-N 2 1 392.544 0.833 20 0 GCADMP CC[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664442137 1194865542 /nfs/dbraw/zinc/86/55/42/1194865542.db2.gz RJGYIOOEYJJIBB-FYQPLNBISA-N 2 1 390.528 0.982 20 0 GCADMP CC[C@@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664442137 1194865545 /nfs/dbraw/zinc/86/55/45/1194865545.db2.gz RJGYIOOEYJJIBB-FYQPLNBISA-N 2 1 390.528 0.982 20 0 GCADMP O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000514667620 1194893169 /nfs/dbraw/zinc/89/31/69/1194893169.db2.gz CGFLZPYHTYLASV-LWYYNNOASA-N 2 1 382.508 0.645 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000514726100 1194898552 /nfs/dbraw/zinc/89/85/52/1194898552.db2.gz VFIYDAPBLZBJHX-FUHWJXTLSA-N 2 1 397.483 0.732 20 0 GCADMP NC(=O)[C@H]1CCC[N@H+]1Cc1cccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000514726100 1194898557 /nfs/dbraw/zinc/89/85/57/1194898557.db2.gz VFIYDAPBLZBJHX-FUHWJXTLSA-N 2 1 397.483 0.732 20 0 GCADMP CC1CC[NH+](CCCNC(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000514827093 1194915590 /nfs/dbraw/zinc/91/55/90/1194915590.db2.gz HTVBXNCBDGNKFR-UHFFFAOYSA-N 2 1 381.565 0.367 20 0 GCADMP O=C(C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000514930764 1194929934 /nfs/dbraw/zinc/92/99/34/1194929934.db2.gz VNXVVJXPQHIGCB-BZSNNMDCSA-N 2 1 378.517 0.015 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CCN1C1CC[NH+](C)CC1 ZINC000425378301 1194930948 /nfs/dbraw/zinc/93/09/48/1194930948.db2.gz BXGVKCZJJYWTLV-ZIFCJYIRSA-N 2 1 391.560 0.166 20 0 GCADMP C[N@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCC(C[NH+]4CCOCC4)CC3)[C@@H]2C1 ZINC000425378743 1194931079 /nfs/dbraw/zinc/93/10/79/1194931079.db2.gz CEHWQXGBGLHSBK-ZWKOTPCHSA-N 2 1 378.517 0.110 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[NH+](C)C[C@H]43)CC2)CCO1 ZINC000425385714 1194936423 /nfs/dbraw/zinc/93/64/23/1194936423.db2.gz KYBHVKAXBUNUFZ-SOLBZPMBSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)CC2)CCO1 ZINC000425385714 1194936426 /nfs/dbraw/zinc/93/64/26/1194936426.db2.gz KYBHVKAXBUNUFZ-SOLBZPMBSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)N3CCC[C@H]4C[N@@H+](C)C[C@H]43)CC2)CCO1 ZINC000425385714 1194936428 /nfs/dbraw/zinc/93/64/28/1194936428.db2.gz KYBHVKAXBUNUFZ-SOLBZPMBSA-N 2 1 378.517 0.251 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000425389507 1194938589 /nfs/dbraw/zinc/93/85/89/1194938589.db2.gz PZJCQQMCNYTZMO-QGZVFWFLSA-N 2 1 380.533 0.642 20 0 GCADMP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCc2c[nH+]c(N(C)C)n2C)CC1 ZINC000435500196 1194939269 /nfs/dbraw/zinc/93/92/69/1194939269.db2.gz FZHMKUHHLRJXPX-UHFFFAOYSA-N 2 1 379.509 0.228 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000425391733 1194939990 /nfs/dbraw/zinc/93/99/90/1194939990.db2.gz SGYLTANIBLTCIZ-KRWDZBQOSA-N 2 1 398.548 0.125 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000425400835 1194952926 /nfs/dbraw/zinc/95/29/26/1194952926.db2.gz KUBUMELINFWOKY-GOSISDBHSA-N 2 1 394.560 0.746 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CC1 ZINC000425400835 1194952928 /nfs/dbraw/zinc/95/29/28/1194952928.db2.gz KUBUMELINFWOKY-GOSISDBHSA-N 2 1 394.560 0.746 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000425403763 1194959216 /nfs/dbraw/zinc/95/92/16/1194959216.db2.gz ONYKZGJTQDZTCT-FCGDIQPGSA-N 2 1 391.560 0.023 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000515406370 1194972913 /nfs/dbraw/zinc/97/29/13/1194972913.db2.gz QPEPWEHRRJNWEF-PMPSAXMXSA-N 2 1 393.557 0.410 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000285318499 1194980301 /nfs/dbraw/zinc/98/03/01/1194980301.db2.gz WVIRNXGCNWHWFK-GOSISDBHSA-N 2 1 378.517 0.360 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000436051240 1194982249 /nfs/dbraw/zinc/98/22/49/1194982249.db2.gz ABDKVRFQAXYDPV-QGZVFWFLSA-N 2 1 395.548 0.215 20 0 GCADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)NCCCN1CCCCCC1=O ZINC000436051240 1194982251 /nfs/dbraw/zinc/98/22/51/1194982251.db2.gz ABDKVRFQAXYDPV-QGZVFWFLSA-N 2 1 395.548 0.215 20 0 GCADMP COc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436050059 1194982264 /nfs/dbraw/zinc/98/22/64/1194982264.db2.gz ICWYGMHAOAQGGV-MRXNPFEDSA-N 2 1 392.500 0.640 20 0 GCADMP COc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC ZINC000436050059 1194982266 /nfs/dbraw/zinc/98/22/66/1194982266.db2.gz ICWYGMHAOAQGGV-MRXNPFEDSA-N 2 1 392.500 0.640 20 0 GCADMP COc1ccccc1CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436060042 1194982994 /nfs/dbraw/zinc/98/29/94/1194982994.db2.gz PZSPUFTVDCPFLQ-QGZVFWFLSA-N 2 1 376.501 0.673 20 0 GCADMP COc1ccccc1CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436060042 1194982995 /nfs/dbraw/zinc/98/29/95/1194982995.db2.gz PZSPUFTVDCPFLQ-QGZVFWFLSA-N 2 1 376.501 0.673 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000436063626 1194983396 /nfs/dbraw/zinc/98/33/96/1194983396.db2.gz XUEIOXVKEZFMHN-AWEZNQCLSA-N 2 1 382.455 0.943 20 0 GCADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)NCCc1c(F)cccc1F ZINC000436063626 1194983400 /nfs/dbraw/zinc/98/34/00/1194983400.db2.gz XUEIOXVKEZFMHN-AWEZNQCLSA-N 2 1 382.455 0.943 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000436125506 1194986318 /nfs/dbraw/zinc/98/63/18/1194986318.db2.gz BEDVMRAVAUXLJW-IRXDYDNUSA-N 2 1 397.564 0.416 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC[N@H+]1CC(C)(C)O ZINC000436125504 1194986391 /nfs/dbraw/zinc/98/63/91/1194986391.db2.gz BEDVMRAVAUXLJW-DLBZAZTESA-N 2 1 397.564 0.416 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000505802245 1194998731 /nfs/dbraw/zinc/99/87/31/1194998731.db2.gz OISAGSUAYWFQHW-INIZCTEOSA-N 2 1 395.548 0.972 20 0 GCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515846079 1195001773 /nfs/dbraw/zinc/00/17/73/1195001773.db2.gz BRNNOHIBJFPRCI-CABCVRRESA-N 2 1 380.514 0.902 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)CN2CCOCC2)C1 ZINC000516078377 1195019977 /nfs/dbraw/zinc/01/99/77/1195019977.db2.gz HXGOCFRFEHZEIP-ZWKOTPCHSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000516078377 1195019980 /nfs/dbraw/zinc/01/99/80/1195019980.db2.gz HXGOCFRFEHZEIP-ZWKOTPCHSA-N 2 1 382.549 0.555 20 0 GCADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCOCC2)C1 ZINC000516078377 1195019984 /nfs/dbraw/zinc/01/99/84/1195019984.db2.gz HXGOCFRFEHZEIP-ZWKOTPCHSA-N 2 1 382.549 0.555 20 0 GCADMP Cn1c(=O)[nH]c(=O)c2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cnc21 ZINC000516207651 1195033214 /nfs/dbraw/zinc/03/32/14/1195033214.db2.gz NEAQSTBWMXKUQC-UHFFFAOYSA-N 2 1 395.423 0.433 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000288003413 1195046705 /nfs/dbraw/zinc/04/67/05/1195046705.db2.gz BXGDZRVVPKIHPW-SJLPKXTDSA-N 2 1 376.476 0.926 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000288003413 1195046709 /nfs/dbraw/zinc/04/67/09/1195046709.db2.gz BXGDZRVVPKIHPW-SJLPKXTDSA-N 2 1 376.476 0.926 20 0 GCADMP C[NH+](CCNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000288003413 1195046712 /nfs/dbraw/zinc/04/67/12/1195046712.db2.gz BXGDZRVVPKIHPW-SJLPKXTDSA-N 2 1 376.476 0.926 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNS(=O)(=O)c2ccccc2)CC1 ZINC000516472433 1195055524 /nfs/dbraw/zinc/05/55/24/1195055524.db2.gz KNSIETATJULVBM-UHFFFAOYSA-N 2 1 389.481 0.750 20 0 GCADMP C[N@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1 ZINC000516502154 1195060128 /nfs/dbraw/zinc/06/01/28/1195060128.db2.gz UYIWEGUUBBJUOY-GOSISDBHSA-N 2 1 380.533 0.690 20 0 GCADMP C[N@@H+](CCNC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1CCCC1 ZINC000516502154 1195060131 /nfs/dbraw/zinc/06/01/31/1195060131.db2.gz UYIWEGUUBBJUOY-GOSISDBHSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000437130380 1195075190 /nfs/dbraw/zinc/07/51/90/1195075190.db2.gz YRVRORHEBZTTFS-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000437130380 1195075194 /nfs/dbraw/zinc/07/51/94/1195075194.db2.gz YRVRORHEBZTTFS-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP O=C(C[NH+](CCO)CCO)N1CCCC2(C[NH+](CCCC(F)(F)F)C2)C1 ZINC001270176097 1195077546 /nfs/dbraw/zinc/07/75/46/1195077546.db2.gz RMBPXIDDGDOSQI-UHFFFAOYSA-N 2 1 381.439 0.540 20 0 GCADMP O=c1nc([C@@H]2CCC[NH+](C/C=C/C[N@@H+]3CCC[C@H](c4nc(=O)[nH][nH]4)C3)C2)[nH][nH]1 ZINC000289494630 1195099856 /nfs/dbraw/zinc/09/98/56/1195099856.db2.gz SWWPYQWCHMFYDK-CZMZKRSCSA-N 2 1 388.476 0.125 20 0 GCADMP O=c1nc([C@@H]2CCC[N@@H+](C/C=C/C[NH+]3CCC[C@H](c4nc(=O)[nH][nH]4)C3)C2)[nH][nH]1 ZINC000289494630 1195099860 /nfs/dbraw/zinc/09/98/60/1195099860.db2.gz SWWPYQWCHMFYDK-CZMZKRSCSA-N 2 1 388.476 0.125 20 0 GCADMP O=c1nc([C@@H]2CCC[N@H+](C/C=C/C[NH+]3CCC[C@H](c4nc(=O)[nH][nH]4)C3)C2)[nH][nH]1 ZINC000289494630 1195099863 /nfs/dbraw/zinc/09/98/63/1195099863.db2.gz SWWPYQWCHMFYDK-CZMZKRSCSA-N 2 1 388.476 0.125 20 0 GCADMP CC[NH2+]CCCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000517020849 1195125117 /nfs/dbraw/zinc/12/51/17/1195125117.db2.gz RCFLOBBMQVEYOT-OAHLLOKOSA-N 2 1 381.546 0.269 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000425885608 1195151854 /nfs/dbraw/zinc/15/18/54/1195151854.db2.gz PCGCOJPEIZOHPX-IRXDYDNUSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000425885608 1195151858 /nfs/dbraw/zinc/15/18/58/1195151858.db2.gz PCGCOJPEIZOHPX-IRXDYDNUSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000425891533 1195154825 /nfs/dbraw/zinc/15/48/25/1195154825.db2.gz YKXQQZIFCPEWHK-KRWDZBQOSA-N 2 1 382.549 0.792 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000425909338 1195159748 /nfs/dbraw/zinc/15/97/48/1195159748.db2.gz ODDBAJMRMXMZKN-UHFFFAOYSA-N 2 1 380.533 0.546 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000664678681 1195187456 /nfs/dbraw/zinc/18/74/56/1195187456.db2.gz VNVLGDVCTGHNTG-MRXNPFEDSA-N 2 1 376.505 0.621 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCS(=O)(=O)N2CCCC2)CC1 ZINC000517652628 1195202763 /nfs/dbraw/zinc/20/27/63/1195202763.db2.gz RPHNNMQGZACISY-UHFFFAOYSA-N 2 1 395.529 0.978 20 0 GCADMP CN(CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ncnc2nc[nH]c21 ZINC000517650803 1195204239 /nfs/dbraw/zinc/20/42/39/1195204239.db2.gz FVUABGCXYSLCCO-UHFFFAOYSA-N 2 1 381.444 0.575 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC1CC[NH+](CC2CC2)CC1 ZINC000517661070 1195204546 /nfs/dbraw/zinc/20/45/46/1195204546.db2.gz JAMYUIWBNJBWKM-LJQANCHMSA-N 2 1 392.544 0.690 20 0 GCADMP COC[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000438353490 1195210894 /nfs/dbraw/zinc/21/08/94/1195210894.db2.gz BRMNNRADOCIYAK-ILOCAZANSA-N 2 1 382.549 0.979 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000517974516 1195233043 /nfs/dbraw/zinc/23/30/43/1195233043.db2.gz YNJNKHCPPVOAKU-RBUKOAKNSA-N 2 1 391.560 0.215 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)N1CCOCC1 ZINC000518081825 1195246615 /nfs/dbraw/zinc/24/66/15/1195246615.db2.gz YRVRULBXUIOYJN-IRXDYDNUSA-N 2 1 383.537 0.372 20 0 GCADMP CC(C)C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O)[NH+]1CCOCC1 ZINC000518081825 1195246623 /nfs/dbraw/zinc/24/66/23/1195246623.db2.gz YRVRULBXUIOYJN-IRXDYDNUSA-N 2 1 383.537 0.372 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)CC2)c1 ZINC000414967935 1195269477 /nfs/dbraw/zinc/26/94/77/1195269477.db2.gz BXUXZYZELIEXRV-MRXNPFEDSA-N 2 1 394.479 0.888 20 0 GCADMP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000414969345 1195270278 /nfs/dbraw/zinc/27/02/78/1195270278.db2.gz FBQRCZDERPCCGL-KRWDZBQOSA-N 2 1 387.484 0.110 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cn2)CC1 ZINC000414973650 1195274764 /nfs/dbraw/zinc/27/47/64/1195274764.db2.gz KPMXPARPDBRTIP-OAHLLOKOSA-N 3 1 387.454 0.154 20 0 GCADMP C[NH+](C)C[C@](C)(O)CNC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000506467179 1195276971 /nfs/dbraw/zinc/27/69/71/1195276971.db2.gz FNTJOELLUBVUDA-LJQANCHMSA-N 2 1 378.521 0.206 20 0 GCADMP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000414975454 1195277535 /nfs/dbraw/zinc/27/75/35/1195277535.db2.gz LRCLHQMGKPLTNT-WMLDXEAASA-N 2 1 387.484 0.410 20 0 GCADMP CC(C)(O)CN1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000550016269 1195314971 /nfs/dbraw/zinc/31/49/71/1195314971.db2.gz PLFQLHZNKNHASE-GOSISDBHSA-N 2 1 388.512 0.292 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000426385645 1195320542 /nfs/dbraw/zinc/32/05/42/1195320542.db2.gz PRKCHYDIJAVQPF-YZGWKJHDSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@@H]1COCCN1CCNC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000426385645 1195320546 /nfs/dbraw/zinc/32/05/46/1195320546.db2.gz PRKCHYDIJAVQPF-YZGWKJHDSA-N 2 1 390.528 0.889 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000518979956 1195354639 /nfs/dbraw/zinc/35/46/39/1195354639.db2.gz XTUHNDOSWPZJEK-WBVHZDCISA-N 2 1 382.486 0.101 20 0 GCADMP C[C@](O)(CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C[NH+]1CCOCC1 ZINC000426567510 1195383519 /nfs/dbraw/zinc/38/35/19/1195383519.db2.gz WFNYSLGNLFGFKQ-BJLQDIEVSA-N 2 1 398.548 0.137 20 0 GCADMP Cc1cc(N2CCC(NC(=O)c3cn(C[C@@H]4CCC[NH2+]4)nn3)CC2)nc(C)[nH+]1 ZINC000519542652 1195428065 /nfs/dbraw/zinc/42/80/65/1195428065.db2.gz IPPNFFKVMJENMT-INIZCTEOSA-N 2 1 384.488 0.836 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000550093751 1195433258 /nfs/dbraw/zinc/43/32/58/1195433258.db2.gz FGCARBVNKZDYFU-FGTMMUONSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000550092954 1195434108 /nfs/dbraw/zinc/43/41/08/1195434108.db2.gz AVHIJGXILZQGPO-SFHVURJKSA-N 2 1 380.533 0.450 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000550098544 1195434428 /nfs/dbraw/zinc/43/44/28/1195434428.db2.gz WFVCTCSWIJSFGT-MOPGFXCFSA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000550098544 1195434430 /nfs/dbraw/zinc/43/44/30/1195434430.db2.gz WFVCTCSWIJSFGT-MOPGFXCFSA-N 2 1 396.576 0.944 20 0 GCADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550098544 1195434432 /nfs/dbraw/zinc/43/44/32/1195434432.db2.gz WFVCTCSWIJSFGT-MOPGFXCFSA-N 2 1 396.576 0.944 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)C1 ZINC000550095285 1195435630 /nfs/dbraw/zinc/43/56/30/1195435630.db2.gz GCTAMXYCZXPQGI-ROUUACIJSA-N 2 1 382.549 0.650 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000550096912 1195435676 /nfs/dbraw/zinc/43/56/76/1195435676.db2.gz NMQHFNNPOUXQLD-ZWKOTPCHSA-N 2 1 382.549 0.792 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCCCC1 ZINC000550109060 1195437183 /nfs/dbraw/zinc/43/71/83/1195437183.db2.gz YPIDLCUUUGMAQR-UHFFFAOYSA-N 2 1 382.549 0.672 20 0 GCADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(=O)NCC[NH+]1CCCCC1 ZINC000550137524 1195447057 /nfs/dbraw/zinc/44/70/57/1195447057.db2.gz FEIYDEFQLZDQHS-SJLPKXTDSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832818 1195450841 /nfs/dbraw/zinc/45/08/41/1195450841.db2.gz MBHNNVPAHCICAM-ARFHVFGLSA-N 2 1 391.582 0.276 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O ZINC000664832818 1195450842 /nfs/dbraw/zinc/45/08/42/1195450842.db2.gz MBHNNVPAHCICAM-ARFHVFGLSA-N 2 1 391.582 0.276 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550267126 1195472949 /nfs/dbraw/zinc/47/29/49/1195472949.db2.gz MWGWGSQXRJKJMY-CQSZACIVSA-N 2 1 382.549 0.715 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000550267126 1195472951 /nfs/dbraw/zinc/47/29/51/1195472951.db2.gz MWGWGSQXRJKJMY-CQSZACIVSA-N 2 1 382.549 0.715 20 0 GCADMP CC[C@@H](CNC(=O)C(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000519593200 1195500467 /nfs/dbraw/zinc/50/04/67/1195500467.db2.gz XRUIPLZUEVNIQE-OALUTQOASA-N 2 1 387.528 0.041 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519593342 1195501726 /nfs/dbraw/zinc/50/17/26/1195501726.db2.gz UUZMQRRNPCSZJA-AEFFLSMTSA-N 2 1 377.533 0.857 20 0 GCADMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000507404418 1195517370 /nfs/dbraw/zinc/51/73/70/1195517370.db2.gz OXUDQBRHPLEBSX-UHFFFAOYSA-N 2 1 382.455 0.971 20 0 GCADMP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000507435053 1195521544 /nfs/dbraw/zinc/52/15/44/1195521544.db2.gz VLZAVHKBGPQEQH-WBVHZDCISA-N 2 1 395.548 0.781 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1=O ZINC000519614268 1195543114 /nfs/dbraw/zinc/54/31/14/1195543114.db2.gz YBTMPRNLPOKBOI-MLYOOKFZSA-N 2 1 392.544 0.674 20 0 GCADMP C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883776 1195551493 /nfs/dbraw/zinc/55/14/93/1195551493.db2.gz MUPDWNFYGLLBMW-VQTPCSAVSA-N 2 1 395.548 0.478 20 0 GCADMP CC(C)(O)C[NH+]1CC[C@H](Nc2nccc(N[C@H]3CC[N@H+](CC(C)(C)O)C3)n2)C1 ZINC000894865584 1195553478 /nfs/dbraw/zinc/55/34/78/1195553478.db2.gz IWSHLHQSZAVJJQ-HOTGVXAUSA-N 2 1 392.548 0.991 20 0 GCADMP CC(C)(O)C[NH+]1CC[C@H](Nc2ccnc(N[C@H]3CC[N@H+](CC(C)(C)O)C3)n2)C1 ZINC000894865584 1195553482 /nfs/dbraw/zinc/55/34/82/1195553482.db2.gz IWSHLHQSZAVJJQ-HOTGVXAUSA-N 2 1 392.548 0.991 20 0 GCADMP CC(C)(O)C[NH+]1CC[C@H](Nc2ccnc(N[C@H]3CC[N@@H+](CC(C)(C)O)C3)n2)C1 ZINC000894865584 1195553485 /nfs/dbraw/zinc/55/34/85/1195553485.db2.gz IWSHLHQSZAVJJQ-HOTGVXAUSA-N 2 1 392.548 0.991 20 0 GCADMP CN1CC[N@H+](CCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])[C@H](c2ccccc2)C1 ZINC000519633183 1195559965 /nfs/dbraw/zinc/55/99/65/1195559965.db2.gz VQEISMHXCLESOE-PMACEKPBSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519633183 1195559966 /nfs/dbraw/zinc/55/99/66/1195559966.db2.gz VQEISMHXCLESOE-PMACEKPBSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519633183 1195559968 /nfs/dbraw/zinc/55/99/68/1195559968.db2.gz VQEISMHXCLESOE-PMACEKPBSA-N 2 1 388.560 0.650 20 0 GCADMP COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1S(N)(=O)=O ZINC000519712186 1195566841 /nfs/dbraw/zinc/56/68/41/1195566841.db2.gz ZJMLASRMOMUGLU-ARFHVFGLSA-N 2 1 383.514 0.632 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000519774236 1195568851 /nfs/dbraw/zinc/56/88/51/1195568851.db2.gz LIBJWZHBVNGRJQ-JKSUJKDBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000519774236 1195568854 /nfs/dbraw/zinc/56/88/54/1195568854.db2.gz LIBJWZHBVNGRJQ-JKSUJKDBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774236 1195568857 /nfs/dbraw/zinc/56/88/57/1195568857.db2.gz LIBJWZHBVNGRJQ-JKSUJKDBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774236 1195568859 /nfs/dbraw/zinc/56/88/59/1195568859.db2.gz LIBJWZHBVNGRJQ-JKSUJKDBSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000519774106 1195568957 /nfs/dbraw/zinc/56/89/57/1195568957.db2.gz LIBJWZHBVNGRJQ-CVEARBPZSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)CC[N@H+]1CC(C)(C)O ZINC000519774106 1195568961 /nfs/dbraw/zinc/56/89/61/1195568961.db2.gz LIBJWZHBVNGRJQ-CVEARBPZSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774106 1195568963 /nfs/dbraw/zinc/56/89/63/1195568963.db2.gz LIBJWZHBVNGRJQ-CVEARBPZSA-N 2 1 380.533 0.423 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+]1CC(C)(C)O ZINC000519774106 1195568966 /nfs/dbraw/zinc/56/89/66/1195568966.db2.gz LIBJWZHBVNGRJQ-CVEARBPZSA-N 2 1 380.533 0.423 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)NCC[NH+]2CCSCC2)CC1 ZINC000519849593 1195577389 /nfs/dbraw/zinc/57/73/89/1195577389.db2.gz VPVADIQVLAFYAV-UHFFFAOYSA-N 2 1 386.562 0.157 20 0 GCADMP C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000440968694 1195593017 /nfs/dbraw/zinc/59/30/17/1195593017.db2.gz WMFJYENTIBCRFK-GJYPPUQNSA-N 2 1 388.512 0.780 20 0 GCADMP COCC(C)(C)N1CCN(C(=O)NCC2(N3CCOCC3)CCOCC2)CC1 ZINC000579230219 1195618764 /nfs/dbraw/zinc/61/87/64/1195618764.db2.gz FDJGEWQNSCRGEG-UHFFFAOYSA-N 2 1 398.548 0.620 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520378227 1195628499 /nfs/dbraw/zinc/62/84/99/1195628499.db2.gz BWABIHHEAIBTKN-CABCVRRESA-N 2 1 381.546 0.252 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364306 1195644126 /nfs/dbraw/zinc/64/41/26/1195644126.db2.gz LOUPERITKHRGSN-MSOLQXFVSA-N 2 1 382.549 0.840 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364307 1195644402 /nfs/dbraw/zinc/64/44/02/1195644402.db2.gz LOUPERITKHRGSN-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000550364997 1195644521 /nfs/dbraw/zinc/64/45/21/1195644521.db2.gz PKODZJFZDAQSCP-QGZVFWFLSA-N 2 1 382.549 0.840 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[NH+]1CCN(C)CC1 ZINC000550380856 1195648737 /nfs/dbraw/zinc/64/87/37/1195648737.db2.gz BJZVTUJMMLBMOD-ROUUACIJSA-N 2 1 397.608 0.857 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3C[C@H](C(N)=O)[C@@H](c4ccccc4)C3)cn2)CC1 ZINC000895006791 1195649270 /nfs/dbraw/zinc/64/92/70/1195649270.db2.gz PMQXWFWZLLFHHS-MOPGFXCFSA-N 2 1 380.496 0.929 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@H+]3C[C@H](C(N)=O)[C@@H](c4ccccc4)C3)cn2)CC1 ZINC000895006791 1195649272 /nfs/dbraw/zinc/64/92/72/1195649272.db2.gz PMQXWFWZLLFHHS-MOPGFXCFSA-N 2 1 380.496 0.929 20 0 GCADMP NC(=O)COc1ccc(CNC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647978449 1195658628 /nfs/dbraw/zinc/65/86/28/1195658628.db2.gz SEZXLXCRJUJNHK-QZTJIDSGSA-N 2 1 388.512 0.879 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)CC1 ZINC000417443554 1195742499 /nfs/dbraw/zinc/74/24/99/1195742499.db2.gz YQCJNLNSRUKEJE-QGZVFWFLSA-N 2 1 381.521 0.093 20 0 GCADMP CCC[NH+](CCC)CCCNC(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000417457560 1195746811 /nfs/dbraw/zinc/74/68/11/1195746811.db2.gz BGAYCLSDMDYVEF-UHFFFAOYSA-N 2 1 389.566 0.127 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550410586 1195747799 /nfs/dbraw/zinc/74/77/99/1195747799.db2.gz XKOUDYUUJVVZNC-SOLBZPMBSA-N 2 1 380.533 0.687 20 0 GCADMP CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550410586 1195747803 /nfs/dbraw/zinc/74/78/03/1195747803.db2.gz XKOUDYUUJVVZNC-SOLBZPMBSA-N 2 1 380.533 0.687 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000189767074 1195753414 /nfs/dbraw/zinc/75/34/14/1195753414.db2.gz BZXRLZACMWXMIM-UHFFFAOYSA-N 2 1 375.517 0.783 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)C[NH+]1CCOCC1 ZINC000550413785 1195754687 /nfs/dbraw/zinc/75/46/87/1195754687.db2.gz ZDFNURAEIHCNAC-IEBWSBKVSA-N 2 1 390.528 0.360 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551491 1195785101 /nfs/dbraw/zinc/78/51/01/1195785101.db2.gz DHGKSMCZAFMCAD-IAGOWNOFSA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551491 1195785104 /nfs/dbraw/zinc/78/51/04/1195785104.db2.gz DHGKSMCZAFMCAD-IAGOWNOFSA-N 2 1 383.537 0.230 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000520551491 1195785106 /nfs/dbraw/zinc/78/51/06/1195785106.db2.gz DHGKSMCZAFMCAD-IAGOWNOFSA-N 2 1 383.537 0.230 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520551145 1195785219 /nfs/dbraw/zinc/78/52/19/1195785219.db2.gz NZJHEVMVWYEPLX-YTQUADARSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCCC[C@H]1C[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520551145 1195785223 /nfs/dbraw/zinc/78/52/23/1195785223.db2.gz NZJHEVMVWYEPLX-YTQUADARSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CCC[C@](CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000520620628 1195803814 /nfs/dbraw/zinc/80/38/14/1195803814.db2.gz IIGBTZZDFJONRZ-NQIIRXRSSA-N 2 1 395.592 0.757 20 0 GCADMP COCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000520629278 1195806030 /nfs/dbraw/zinc/80/60/30/1195806030.db2.gz DSKFOLVNXBYGPH-KRWDZBQOSA-N 2 1 382.549 0.698 20 0 GCADMP Cc1nc[nH]c1CC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC000983954980 1195810761 /nfs/dbraw/zinc/81/07/61/1195810761.db2.gz UYTABNBKHVPTSR-AHEZYBDSSA-N 2 1 391.516 0.723 20 0 GCADMP CN(CC[NH+](C)C1CC1)C(=O)[C@H]1CC[C@H](C(=O)N(C)CC[N@@H+](C)C2CC2)O1 ZINC000427821117 1195881953 /nfs/dbraw/zinc/88/19/53/1195881953.db2.gz AQEHVPSIJCEHJZ-QZTJIDSGSA-N 2 1 380.533 0.639 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428027538 1195905690 /nfs/dbraw/zinc/90/56/90/1195905690.db2.gz ALEOZXUQZZWASI-RDJZCZTQSA-N 2 1 380.514 0.067 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428027538 1195905691 /nfs/dbraw/zinc/90/56/91/1195905691.db2.gz ALEOZXUQZZWASI-RDJZCZTQSA-N 2 1 380.514 0.067 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000521117561 1195964633 /nfs/dbraw/zinc/96/46/33/1195964633.db2.gz WPBVGHNFIKERRU-QZTJIDSGSA-N 2 1 378.517 0.396 20 0 GCADMP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1)[NH+](C)C ZINC000521143816 1195965837 /nfs/dbraw/zinc/96/58/37/1195965837.db2.gz VRRRAUAQVHUWMY-IBGZPJMESA-N 2 1 381.565 0.269 20 0 GCADMP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550458391 1195980050 /nfs/dbraw/zinc/98/00/50/1195980050.db2.gz SMDGCYADDBRAFH-SFHVURJKSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457965 1195980618 /nfs/dbraw/zinc/98/06/18/1195980618.db2.gz JOMYTNANFOTWCX-IRXDYDNUSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000550457965 1195980621 /nfs/dbraw/zinc/98/06/21/1195980621.db2.gz JOMYTNANFOTWCX-IRXDYDNUSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@@H](CNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000550457965 1195980623 /nfs/dbraw/zinc/98/06/23/1195980623.db2.gz JOMYTNANFOTWCX-IRXDYDNUSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000550457747 1195984175 /nfs/dbraw/zinc/98/41/75/1195984175.db2.gz NFXNIVGVXBRILG-MOPGFXCFSA-N 2 1 394.560 0.936 20 0 GCADMP CCCn1cc(C[N@@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000521363756 1195991600 /nfs/dbraw/zinc/99/16/00/1195991600.db2.gz MUWGUAMIWWOYTF-SFHVURJKSA-N 2 1 377.537 0.414 20 0 GCADMP CCCn1cc(C[N@H+]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCN3C)CC2)cn1 ZINC000521363756 1195991601 /nfs/dbraw/zinc/99/16/01/1195991601.db2.gz MUWGUAMIWWOYTF-SFHVURJKSA-N 2 1 377.537 0.414 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C(=O)NCCOC)CC3)CC2)CC1 ZINC000521460860 1195997089 /nfs/dbraw/zinc/99/70/89/1195997089.db2.gz OQBLCEWUJVXVGQ-UHFFFAOYSA-N 2 1 380.533 0.594 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754758 1196002206 /nfs/dbraw/zinc/00/22/06/1196002206.db2.gz IOXIWKFBUPWVNT-GJZGRUSLSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754758 1196002210 /nfs/dbraw/zinc/00/22/10/1196002210.db2.gz IOXIWKFBUPWVNT-GJZGRUSLSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754761 1196002505 /nfs/dbraw/zinc/00/25/05/1196002505.db2.gz IOXIWKFBUPWVNT-HUUCEWRRSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000442754761 1196002507 /nfs/dbraw/zinc/00/25/07/1196002507.db2.gz IOXIWKFBUPWVNT-HUUCEWRRSA-N 2 1 398.504 0.328 20 0 GCADMP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000521625818 1196008530 /nfs/dbraw/zinc/00/85/30/1196008530.db2.gz ORRZGBYMPRGXKN-IRXDYDNUSA-N 2 1 375.517 0.509 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000443061648 1196017698 /nfs/dbraw/zinc/01/76/98/1196017698.db2.gz RWZLDYLCRYJABO-SOUVJXGZSA-N 2 1 382.530 0.961 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000443059348 1196018723 /nfs/dbraw/zinc/01/87/23/1196018723.db2.gz MNNJHJIAZWEVJH-HNNXBMFYSA-N 2 1 386.504 0.073 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000521966938 1196027826 /nfs/dbraw/zinc/02/78/26/1196027826.db2.gz JQCQOZXSIJAJTL-SJLPKXTDSA-N 2 1 378.517 0.300 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000521966938 1196027830 /nfs/dbraw/zinc/02/78/30/1196027830.db2.gz JQCQOZXSIJAJTL-SJLPKXTDSA-N 2 1 378.517 0.300 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000521966937 1196027920 /nfs/dbraw/zinc/02/79/20/1196027920.db2.gz JQCQOZXSIJAJTL-FUHWJXTLSA-N 2 1 378.517 0.300 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521966937 1196027922 /nfs/dbraw/zinc/02/79/22/1196027922.db2.gz JQCQOZXSIJAJTL-FUHWJXTLSA-N 2 1 378.517 0.300 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@@H](C)O1 ZINC000166152292 1196029681 /nfs/dbraw/zinc/02/96/81/1196029681.db2.gz LXORSKSOUUAONL-INMHGKMJSA-N 2 1 376.505 0.916 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000521993146 1196032811 /nfs/dbraw/zinc/03/28/11/1196032811.db2.gz JTCSLXARDKYTLG-GOSISDBHSA-N 2 1 379.549 0.071 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000550468056 1196045194 /nfs/dbraw/zinc/04/51/94/1196045194.db2.gz ARELSCZLHNNXKH-UHFFFAOYSA-N 2 1 395.592 0.853 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)CNC3=O)[C@@H]2CC)CC[NH+]1C ZINC001087578649 1196050208 /nfs/dbraw/zinc/05/02/08/1196050208.db2.gz HMESPBGNAQWESC-CAOSSQGBSA-N 2 1 379.505 0.238 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC[NH+]1CCN1C(=O)CNC1=O ZINC001087578649 1196050210 /nfs/dbraw/zinc/05/02/10/1196050210.db2.gz HMESPBGNAQWESC-CAOSSQGBSA-N 2 1 379.505 0.238 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC[NH+]1CCN1C(=O)CNC1=O ZINC001087578649 1196050212 /nfs/dbraw/zinc/05/02/12/1196050212.db2.gz HMESPBGNAQWESC-CAOSSQGBSA-N 2 1 379.505 0.238 20 0 GCADMP C[NH+](C)Cc1ccc(CNC(=O)C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000550484060 1196054806 /nfs/dbraw/zinc/05/48/06/1196054806.db2.gz MYBBIIRTCKWQOK-IBGZPJMESA-N 2 1 388.512 0.545 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000550515032 1196070710 /nfs/dbraw/zinc/07/07/10/1196070710.db2.gz RRTVOXBWKPWTCT-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000550515032 1196070711 /nfs/dbraw/zinc/07/07/11/1196070711.db2.gz RRTVOXBWKPWTCT-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000550515032 1196070716 /nfs/dbraw/zinc/07/07/16/1196070716.db2.gz RRTVOXBWKPWTCT-UHFFFAOYSA-N 2 1 381.565 0.461 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000550519384 1196071606 /nfs/dbraw/zinc/07/16/06/1196071606.db2.gz NPXUBIWGRVYADP-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000550519384 1196071610 /nfs/dbraw/zinc/07/16/10/1196071610.db2.gz NPXUBIWGRVYADP-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP CC[N@H+]1CC[C@H](N(C)C(=O)C(=O)NC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC000550519384 1196071611 /nfs/dbraw/zinc/07/16/11/1196071611.db2.gz NPXUBIWGRVYADP-AEFFLSMTSA-N 2 1 381.565 0.460 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000550550344 1196083175 /nfs/dbraw/zinc/08/31/75/1196083175.db2.gz FDDRDBJPXFSFEY-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000550550344 1196083178 /nfs/dbraw/zinc/08/31/78/1196083178.db2.gz FDDRDBJPXFSFEY-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000550550344 1196083179 /nfs/dbraw/zinc/08/31/79/1196083179.db2.gz FDDRDBJPXFSFEY-KRWDZBQOSA-N 2 1 381.565 0.365 20 0 GCADMP C[NH+]1CCC(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)(N2CCOCC2)CC1 ZINC000895333953 1196083361 /nfs/dbraw/zinc/08/33/61/1196083361.db2.gz MJPBEJOLPWSGFM-ROUUACIJSA-N 2 1 379.549 0.661 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000550549389 1196083490 /nfs/dbraw/zinc/08/34/90/1196083490.db2.gz BQTYEUSZHUWPCU-SFHVURJKSA-N 2 1 385.468 0.385 20 0 GCADMP COCCN1CC[C@H](NC(=O)C(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000550549389 1196083491 /nfs/dbraw/zinc/08/34/91/1196083491.db2.gz BQTYEUSZHUWPCU-SFHVURJKSA-N 2 1 385.468 0.385 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[NH+](C)[C@@H]3C)nc(N3CCOCC3)n2)CC[N@H+]1C ZINC000895737473 1196111068 /nfs/dbraw/zinc/11/10/68/1196111068.db2.gz WDOLNDKJBKZWRD-FPCVCCKLSA-N 2 1 390.536 0.717 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@H+](C)[C@@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737473 1196111070 /nfs/dbraw/zinc/11/10/70/1196111070.db2.gz WDOLNDKJBKZWRD-FPCVCCKLSA-N 2 1 390.536 0.717 20 0 GCADMP C[C@@H]1[C@H](Nc2nc(N[C@H]3CC[N@@H+](C)[C@@H]3C)nc(N3CCOCC3)n2)CC[NH+]1C ZINC000895737473 1196111073 /nfs/dbraw/zinc/11/10/73/1196111073.db2.gz WDOLNDKJBKZWRD-FPCVCCKLSA-N 2 1 390.536 0.717 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000895841778 1196114087 /nfs/dbraw/zinc/11/40/87/1196114087.db2.gz IBYFKRAXTVCUHC-FCGDIQPGSA-N 2 1 392.544 0.870 20 0 GCADMP O=C(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000895841778 1196114090 /nfs/dbraw/zinc/11/40/90/1196114090.db2.gz IBYFKRAXTVCUHC-FCGDIQPGSA-N 2 1 392.544 0.870 20 0 GCADMP COC(=O)[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+](C)C1 ZINC000840298476 1196115551 /nfs/dbraw/zinc/11/55/51/1196115551.db2.gz KJTINTAEQIMDTK-DOTOQJQBSA-N 2 1 382.505 0.376 20 0 GCADMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC000896468164 1196149491 /nfs/dbraw/zinc/14/94/91/1196149491.db2.gz NBKQBZWWTDMKJL-GBESFXJTSA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000896468164 1196149493 /nfs/dbraw/zinc/14/94/93/1196149493.db2.gz NBKQBZWWTDMKJL-GBESFXJTSA-N 2 1 379.549 0.661 20 0 GCADMP C[NH+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000896468164 1196149496 /nfs/dbraw/zinc/14/94/96/1196149496.db2.gz NBKQBZWWTDMKJL-GBESFXJTSA-N 2 1 379.549 0.661 20 0 GCADMP C[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000329187390 1196173545 /nfs/dbraw/zinc/17/35/45/1196173545.db2.gz GUKAHCHOYJMMFR-DQCOHUIHSA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000329187390 1196173547 /nfs/dbraw/zinc/17/35/47/1196173547.db2.gz GUKAHCHOYJMMFR-DQCOHUIHSA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C[C@@H](O)CC(=O)N1C[C@@H]2CCC[NH+]2C[C@@H]1C ZINC000329187390 1196173548 /nfs/dbraw/zinc/17/35/48/1196173548.db2.gz GUKAHCHOYJMMFR-DQCOHUIHSA-N 2 1 392.544 0.518 20 0 GCADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000329358044 1196188740 /nfs/dbraw/zinc/18/87/40/1196188740.db2.gz GCIOEQQHKCVMTD-QYZOEREBSA-N 2 1 392.544 0.785 20 0 GCADMP CC(C)[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329436532 1196195306 /nfs/dbraw/zinc/19/53/06/1196195306.db2.gz JIVDXDTUOXSQIV-GOSISDBHSA-N 2 1 380.533 0.642 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329436532 1196195309 /nfs/dbraw/zinc/19/53/09/1196195309.db2.gz JIVDXDTUOXSQIV-GOSISDBHSA-N 2 1 380.533 0.642 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329461374 1196198318 /nfs/dbraw/zinc/19/83/18/1196198318.db2.gz SQAHGEBIQMUTQR-KZNAEPCWSA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329461374 1196198321 /nfs/dbraw/zinc/19/83/21/1196198321.db2.gz SQAHGEBIQMUTQR-KZNAEPCWSA-N 2 1 378.517 0.252 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)CC[C@@H]3C2)O1 ZINC001088011979 1196216974 /nfs/dbraw/zinc/21/69/74/1196216974.db2.gz NBWKPMSDERHTKW-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CC(=O)N4CCCCC4)CC[C@@H]3C2)O1 ZINC001088011979 1196216975 /nfs/dbraw/zinc/21/69/75/1196216975.db2.gz NBWKPMSDERHTKW-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)O1 ZINC001088011979 1196216979 /nfs/dbraw/zinc/21/69/79/1196216979.db2.gz NBWKPMSDERHTKW-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CC(=O)N4CCCCC4)CC[C@@H]3C2)O1 ZINC001088011979 1196216981 /nfs/dbraw/zinc/21/69/81/1196216981.db2.gz NBWKPMSDERHTKW-AKHDSKFASA-N 2 1 392.544 0.498 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011687 1196217331 /nfs/dbraw/zinc/21/73/31/1196217331.db2.gz YUPLTTUDKMJNBK-OQIJWPOYSA-N 2 1 375.517 0.462 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H]3C[NH+](CCc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011687 1196217335 /nfs/dbraw/zinc/21/73/35/1196217335.db2.gz YUPLTTUDKMJNBK-OQIJWPOYSA-N 2 1 375.517 0.462 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@@H+](CCc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011687 1196217338 /nfs/dbraw/zinc/21/73/38/1196217338.db2.gz YUPLTTUDKMJNBK-OQIJWPOYSA-N 2 1 375.517 0.462 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2C[C@@H]3C[N@H+](CCc4cnn(C)c4)CC[C@@H]3C2)O1 ZINC001088011687 1196217341 /nfs/dbraw/zinc/21/73/41/1196217341.db2.gz YUPLTTUDKMJNBK-OQIJWPOYSA-N 2 1 375.517 0.462 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000281646185 1196317730 /nfs/dbraw/zinc/31/77/30/1196317730.db2.gz RKJKAWPQGUFMLG-MRXNPFEDSA-N 2 1 382.530 0.822 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1 ZINC000444176077 1196357730 /nfs/dbraw/zinc/35/77/30/1196357730.db2.gz NKORYHJTPAPOBQ-GHTZIAJQSA-N 2 1 386.496 0.963 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)c1 ZINC000444176080 1196357782 /nfs/dbraw/zinc/35/77/82/1196357782.db2.gz NKORYHJTPAPOBQ-NQIIRXRSSA-N 2 1 386.496 0.963 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643419504 1196396133 /nfs/dbraw/zinc/39/61/33/1196396133.db2.gz WAFWUASOKGJNKJ-QZTJIDSGSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643419504 1196396136 /nfs/dbraw/zinc/39/61/36/1196396136.db2.gz WAFWUASOKGJNKJ-QZTJIDSGSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643419504 1196396140 /nfs/dbraw/zinc/39/61/40/1196396140.db2.gz WAFWUASOKGJNKJ-QZTJIDSGSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@H](N2CCN(C(=O)C(=O)NCC[C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643419503 1196396196 /nfs/dbraw/zinc/39/61/96/1196396196.db2.gz WAFWUASOKGJNKJ-MSOLQXFVSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)C1 ZINC000643419503 1196396200 /nfs/dbraw/zinc/39/62/00/1196396200.db2.gz WAFWUASOKGJNKJ-MSOLQXFVSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+]1CCC[C@H](CCNC(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000643419503 1196396204 /nfs/dbraw/zinc/39/62/04/1196396204.db2.gz WAFWUASOKGJNKJ-MSOLQXFVSA-N 2 1 379.549 0.073 20 0 GCADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000665712769 1196446262 /nfs/dbraw/zinc/44/62/62/1196446262.db2.gz KZOKWHWKKADJLC-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717531 1196447175 /nfs/dbraw/zinc/44/71/75/1196447175.db2.gz CZTFFEXMOFDKEH-AVRDEDQJSA-N 2 1 399.539 0.994 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)C2)CC1 ZINC000665717534 1196447522 /nfs/dbraw/zinc/44/75/22/1196447522.db2.gz CZTFFEXMOFDKEH-XMSQKQJNSA-N 2 1 399.539 0.994 20 0 GCADMP CC(CC(=O)NCC[NH+]1CCCOCC1)CC(=O)NCC[N@H+]1CCCOCC1 ZINC000444375848 1196447994 /nfs/dbraw/zinc/44/79/94/1196447994.db2.gz JSIGTBQZXFSAJH-UHFFFAOYSA-N 2 1 398.548 0.080 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H](C)O1 ZINC000523914648 1196567385 /nfs/dbraw/zinc/56/73/85/1196567385.db2.gz JZGVLPZWJMYFHS-KZNAEPCWSA-N 2 1 397.564 0.728 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000524139936 1196578230 /nfs/dbraw/zinc/57/82/30/1196578230.db2.gz HAZHNLAHQUQIOK-MRXNPFEDSA-N 2 1 383.537 0.515 20 0 GCADMP C[NH+](C)CCN1C[C@H](C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)CC1=O ZINC000524392246 1196591748 /nfs/dbraw/zinc/59/17/48/1196591748.db2.gz MFZXLWHVZIBMFH-GOSISDBHSA-N 2 1 387.528 0.335 20 0 GCADMP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000524619483 1196611174 /nfs/dbraw/zinc/61/11/74/1196611174.db2.gz UPIWPVYUVVTEQE-ZWKOTPCHSA-N 2 1 397.564 0.321 20 0 GCADMP CC[NH+](C)C[C@@H]1CCN(C(=O)COCC(=O)N2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000524698786 1196615823 /nfs/dbraw/zinc/61/58/23/1196615823.db2.gz YDLMTVWRQOXWSB-HDICACEKSA-N 2 1 382.549 0.603 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)COCC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000524698786 1196615826 /nfs/dbraw/zinc/61/58/26/1196615826.db2.gz YDLMTVWRQOXWSB-HDICACEKSA-N 2 1 382.549 0.603 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)COCC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000524698786 1196615829 /nfs/dbraw/zinc/61/58/29/1196615829.db2.gz YDLMTVWRQOXWSB-HDICACEKSA-N 2 1 382.549 0.603 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000446365048 1196637955 /nfs/dbraw/zinc/63/79/55/1196637955.db2.gz YQNBNRNPYNQKLK-ZKNHNOBHSA-N 2 1 380.533 0.578 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524992482 1196643350 /nfs/dbraw/zinc/64/33/50/1196643350.db2.gz ICEJIGUQACSUMX-HXUWFJFHSA-N 2 1 376.501 0.645 20 0 GCADMP O=C(NCCC[NH+]1CCOCC1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000524992482 1196643355 /nfs/dbraw/zinc/64/33/55/1196643355.db2.gz ICEJIGUQACSUMX-HXUWFJFHSA-N 2 1 376.501 0.645 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000525303290 1196666318 /nfs/dbraw/zinc/66/63/18/1196666318.db2.gz QEGDMCPZGYEAQB-INIZCTEOSA-N 2 1 397.564 0.762 20 0 GCADMP C[NH+](C)CCCN1C(=O)C[C@H](N2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000525802671 1196710572 /nfs/dbraw/zinc/71/05/72/1196710572.db2.gz IJCKDHORHDFNEL-SFHVURJKSA-N 2 1 380.533 0.642 20 0 GCADMP COC(=O)[C@@H]1CC12CC[NH+](CC(O)C[NH+]1CCC3(C[C@H]3C(=O)OC)CC1)CC2 ZINC000447350647 1196710604 /nfs/dbraw/zinc/71/06/04/1196710604.db2.gz KXXOCYLCYAWKDK-IRXDYDNUSA-N 2 1 394.512 0.898 20 0 GCADMP C[NH+]1CCN(C[C@@H](NC(=O)NCC[N@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000526096352 1196742468 /nfs/dbraw/zinc/74/24/68/1196742468.db2.gz WIGMLTXLUGGTMO-HXUWFJFHSA-N 2 1 389.544 0.997 20 0 GCADMP C[NH+]1CCN(C[C@H](NC(=O)NCC[N@H+]2CCCOCC2)c2ccccc2)CC1 ZINC000526096351 1196742527 /nfs/dbraw/zinc/74/25/27/1196742527.db2.gz WIGMLTXLUGGTMO-FQEVSTJZSA-N 2 1 389.544 0.997 20 0 GCADMP Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000527079990 1196763514 /nfs/dbraw/zinc/76/35/14/1196763514.db2.gz AHPBOYPXRANDQB-OAHLLOKOSA-N 2 1 375.473 0.623 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCN(C)CC1 ZINC000371663073 1196913515 /nfs/dbraw/zinc/91/35/15/1196913515.db2.gz FOFCZJWVYKFILD-UXHICEINSA-N 2 1 394.608 0.680 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000371663073 1196913517 /nfs/dbraw/zinc/91/35/17/1196913517.db2.gz FOFCZJWVYKFILD-UXHICEINSA-N 2 1 394.608 0.680 20 0 GCADMP CC(C)[C@H](CNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)N1CC[NH+](C)CC1 ZINC000371663073 1196913518 /nfs/dbraw/zinc/91/35/18/1196913518.db2.gz FOFCZJWVYKFILD-UXHICEINSA-N 2 1 394.608 0.680 20 0 GCADMP O=C(NC[C@H]1COCC[NH2+]1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000529382210 1196919082 /nfs/dbraw/zinc/91/90/82/1196919082.db2.gz CKVUWLCAUXANIZ-PMACEKPBSA-N 2 1 387.528 0.577 20 0 GCADMP CN(Cc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)ccc1F)[C@]1(CO)CCOC1 ZINC000450706867 1196949250 /nfs/dbraw/zinc/94/92/50/1196949250.db2.gz GSBMGGNHCOPOPG-PMACEKPBSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1cc(C[N@@H+](C)[C@]2(CO)CCOC2)ccc1F)[C@]1(CO)CCOC1 ZINC000450706867 1196949252 /nfs/dbraw/zinc/94/92/52/1196949252.db2.gz GSBMGGNHCOPOPG-PMACEKPBSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000450706867 1196949257 /nfs/dbraw/zinc/94/92/57/1196949257.db2.gz GSBMGGNHCOPOPG-PMACEKPBSA-N 2 1 382.476 0.992 20 0 GCADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@]2(CO)CCOC2)c1)[C@]1(CO)CCOC1 ZINC000450706867 1196949261 /nfs/dbraw/zinc/94/92/61/1196949261.db2.gz GSBMGGNHCOPOPG-PMACEKPBSA-N 2 1 382.476 0.992 20 0 GCADMP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1 ZINC000450834319 1196956937 /nfs/dbraw/zinc/95/69/37/1196956937.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 1 386.548 0.253 20 0 GCADMP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC000450834319 1196956942 /nfs/dbraw/zinc/95/69/42/1196956942.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 1 386.548 0.253 20 0 GCADMP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC000450834319 1196956945 /nfs/dbraw/zinc/95/69/45/1196956945.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 1 386.548 0.253 20 0 GCADMP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[nH+]1 ZINC000450834319 1196956946 /nfs/dbraw/zinc/95/69/46/1196956946.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 1 386.548 0.253 20 0 GCADMP CNc1nc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(NC2C[C@H]3CC[C@@H](C2)[NH+]3C)[nH+]1 ZINC000450834319 1196956948 /nfs/dbraw/zinc/95/69/48/1196956948.db2.gz ZLNAMPRKIQYNBI-DBPPKFAGSA-N 3 1 386.548 0.253 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000530576820 1196996376 /nfs/dbraw/zinc/99/63/76/1196996376.db2.gz PUKOHESHLZZMNY-IRLDBZIGSA-N 2 1 386.540 0.862 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000530629986 1197000969 /nfs/dbraw/zinc/00/09/69/1197000969.db2.gz ANEXCESYVMLCJU-VAMGGRTRSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000530629986 1197000972 /nfs/dbraw/zinc/00/09/72/1197000972.db2.gz ANEXCESYVMLCJU-VAMGGRTRSA-N 2 1 389.544 0.414 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000530629986 1197000978 /nfs/dbraw/zinc/00/09/78/1197000978.db2.gz ANEXCESYVMLCJU-VAMGGRTRSA-N 2 1 389.544 0.414 20 0 GCADMP C[C@@](O)(CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647850 1197001870 /nfs/dbraw/zinc/00/18/70/1197001870.db2.gz HYQTVIAUKWKIMP-UYAOXDASSA-N 2 1 376.501 0.493 20 0 GCADMP C[C@@](O)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C[NH+]1CCOCC1 ZINC000530647850 1197001875 /nfs/dbraw/zinc/00/18/75/1197001875.db2.gz HYQTVIAUKWKIMP-UYAOXDASSA-N 2 1 376.501 0.493 20 0 GCADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000531151314 1197048515 /nfs/dbraw/zinc/04/85/15/1197048515.db2.gz VELLPTYOLMWGNP-KZNAEPCWSA-N 2 1 380.533 0.689 20 0 GCADMP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000531661394 1197090854 /nfs/dbraw/zinc/09/08/54/1197090854.db2.gz IOYQUPKFQNSDKR-KURKYZTESA-N 2 1 395.548 0.516 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N[C@@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000531661394 1197090858 /nfs/dbraw/zinc/09/08/58/1197090858.db2.gz IOYQUPKFQNSDKR-KURKYZTESA-N 2 1 395.548 0.516 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000532027651 1197107277 /nfs/dbraw/zinc/10/72/77/1197107277.db2.gz ZIHOYILOPKJJQD-RTBURBONSA-N 2 1 381.565 0.689 20 0 GCADMP CC(C)[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C)CC1 ZINC000532281218 1197137934 /nfs/dbraw/zinc/13/79/34/1197137934.db2.gz ITLICIGQDIYPKD-UFYCRDLUSA-N 2 1 395.592 0.935 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@H]3C2)CC[N@@H+]1C ZINC000986190848 1197153703 /nfs/dbraw/zinc/15/37/03/1197153703.db2.gz OEQKOUUKAPYRKD-AKHDSKFASA-N 2 1 392.544 0.356 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(C(=O)CC[NH+]4CCOCC4)C[C@H]3C2)CC[N@H+]1C ZINC000986190848 1197153704 /nfs/dbraw/zinc/15/37/04/1197153704.db2.gz OEQKOUUKAPYRKD-AKHDSKFASA-N 2 1 392.544 0.356 20 0 GCADMP C[C@@H](C(=O)N(C)CC(=O)NC1CC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170780086 1197154969 /nfs/dbraw/zinc/15/49/69/1197154969.db2.gz ASXNIEAADGZREN-ZACQAIPSSA-N 2 1 394.560 0.933 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000532375510 1197161497 /nfs/dbraw/zinc/16/14/97/1197161497.db2.gz XQUFQKBABUSFNX-OAQYLSRUSA-N 2 1 375.513 0.975 20 0 GCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]3C2)O1 ZINC000986283499 1197162481 /nfs/dbraw/zinc/16/24/81/1197162481.db2.gz QUEOXGPLOYEKAD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)O1 ZINC000986283499 1197162483 /nfs/dbraw/zinc/16/24/83/1197162483.db2.gz QUEOXGPLOYEKAD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@@H]3C2)O1 ZINC000986283499 1197162485 /nfs/dbraw/zinc/16/24/85/1197162485.db2.gz QUEOXGPLOYEKAD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@@H]3C2)O1 ZINC000986283499 1197162490 /nfs/dbraw/zinc/16/24/90/1197162490.db2.gz QUEOXGPLOYEKAD-VXIBKDFQSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]3C2)O1 ZINC000986324109 1197165610 /nfs/dbraw/zinc/16/56/10/1197165610.db2.gz NGIUAHMZKNLHAO-ZJPYXAASSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(C(=O)C4([NH+](C)C)CCC4)C[C@H]3C2)O1 ZINC000986324109 1197165613 /nfs/dbraw/zinc/16/56/13/1197165613.db2.gz NGIUAHMZKNLHAO-ZJPYXAASSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CCNS(=O)(=O)c3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000173623647 1197177960 /nfs/dbraw/zinc/17/79/60/1197177960.db2.gz DSIDVZXYPMNQKD-IYBDPMFKSA-N 2 1 399.561 0.520 20 0 GCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCNS(=O)(=O)c3cnn(C)c3)CC2)C[C@H](C)O1 ZINC000173623647 1197177961 /nfs/dbraw/zinc/17/79/61/1197177961.db2.gz DSIDVZXYPMNQKD-IYBDPMFKSA-N 2 1 399.561 0.520 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177149435 1197188519 /nfs/dbraw/zinc/18/85/19/1197188519.db2.gz ZOUPCOHWKQAMNO-MJGOQNOKSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H](NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C(=O)N(C)C ZINC000177508187 1197190444 /nfs/dbraw/zinc/19/04/44/1197190444.db2.gz ZCLYWOVLOBXSRW-ZACQAIPSSA-N 2 1 382.549 0.791 20 0 GCADMP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178738803 1197194830 /nfs/dbraw/zinc/19/48/30/1197194830.db2.gz FCINKEPIUWWBIC-QRQLOZEOSA-N 2 1 381.565 0.689 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178693226 1197195364 /nfs/dbraw/zinc/19/53/64/1197195364.db2.gz WWUJRNIHZFMHGN-SJLPKXTDSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000178693226 1197195366 /nfs/dbraw/zinc/19/53/66/1197195366.db2.gz WWUJRNIHZFMHGN-SJLPKXTDSA-N 2 1 377.533 0.809 20 0 GCADMP COCCOCCN1CCN(C(=O)[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000652999542 1197197567 /nfs/dbraw/zinc/19/75/67/1197197567.db2.gz BAGYVODOMOPXQS-OAQYLSRUSA-N 2 1 391.512 0.431 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N(C)CCCC[NH+]2CCCCC2)CC1 ZINC000897420641 1197244336 /nfs/dbraw/zinc/24/43/36/1197244336.db2.gz WGFXRBKTHCTALZ-UHFFFAOYSA-N 2 1 395.592 0.853 20 0 GCADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000193456712 1197255256 /nfs/dbraw/zinc/25/52/56/1197255256.db2.gz LIRWJZWGETWHOQ-QGZVFWFLSA-N 2 1 383.500 0.813 20 0 GCADMP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000193456712 1197255258 /nfs/dbraw/zinc/25/52/58/1197255258.db2.gz LIRWJZWGETWHOQ-QGZVFWFLSA-N 2 1 383.500 0.813 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(C)[nH]c2ccnn2c1=O ZINC000104363024 1197295245 /nfs/dbraw/zinc/29/52/45/1197295245.db2.gz IUNXAYSOOVVFJN-INIZCTEOSA-N 2 1 388.516 0.748 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000151462414 1197297573 /nfs/dbraw/zinc/29/75/73/1197297573.db2.gz RQOQBOBGGRZMGU-INIZCTEOSA-N 2 1 377.493 0.215 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000729610178 1197308500 /nfs/dbraw/zinc/30/85/00/1197308500.db2.gz DODWOKQGHXQQBE-ZACQAIPSSA-N 2 1 381.521 0.092 20 0 GCADMP CCOC(=O)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123652687 1197351566 /nfs/dbraw/zinc/35/15/66/1197351566.db2.gz BTRVPSHSMUXVAV-INIZCTEOSA-N 2 1 377.489 0.975 20 0 GCADMP CCOC(=O)N1CCN(C(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000123652687 1197351569 /nfs/dbraw/zinc/35/15/69/1197351569.db2.gz BTRVPSHSMUXVAV-INIZCTEOSA-N 2 1 377.489 0.975 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000123942661 1197352034 /nfs/dbraw/zinc/35/20/34/1197352034.db2.gz NQZYIWDURXRQPS-MAUKXSAKSA-N 2 1 377.533 0.855 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000123942661 1197352037 /nfs/dbraw/zinc/35/20/37/1197352037.db2.gz NQZYIWDURXRQPS-MAUKXSAKSA-N 2 1 377.533 0.855 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1CC(=O)N(C)C ZINC001088574723 1197369425 /nfs/dbraw/zinc/36/94/25/1197369425.db2.gz MMUINRKPAGQFBR-NWGLXNPWSA-N 2 1 380.533 0.401 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@H+]1CC(=O)N(C)C ZINC001088574723 1197369429 /nfs/dbraw/zinc/36/94/29/1197369429.db2.gz MMUINRKPAGQFBR-NWGLXNPWSA-N 2 1 380.533 0.401 20 0 GCADMP O=C1C[C@@]2(CN1)CCC[NH+](CCOCC[N@@H+]1CCC[C@@]3(CNC(=O)C3)C1)C2 ZINC000532717389 1197396645 /nfs/dbraw/zinc/39/66/45/1197396645.db2.gz XOLUXKXMUFYPOV-WOJBJXKFSA-N 2 1 378.517 0.207 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[N@H+]1C ZINC001088579518 1197397929 /nfs/dbraw/zinc/39/79/29/1197397929.db2.gz MQXMHJGQRIHZDG-FXUDXRNXSA-N 2 1 393.532 0.626 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[NH+]1C ZINC001088579518 1197397932 /nfs/dbraw/zinc/39/79/32/1197397932.db2.gz MQXMHJGQRIHZDG-FXUDXRNXSA-N 2 1 393.532 0.626 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCN3C(=O)NC(C)(C)C3=O)[C@@H]2C)CC[NH+]1C ZINC001088579518 1197397936 /nfs/dbraw/zinc/39/79/36/1197397936.db2.gz MQXMHJGQRIHZDG-FXUDXRNXSA-N 2 1 393.532 0.626 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)CC1=O ZINC000245756694 1197429978 /nfs/dbraw/zinc/42/99/78/1197429978.db2.gz YMTAZPMVCNMMPW-QRVBRYPASA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CC1=O ZINC000245756694 1197429980 /nfs/dbraw/zinc/42/99/80/1197429980.db2.gz YMTAZPMVCNMMPW-QRVBRYPASA-N 2 1 394.560 0.672 20 0 GCADMP CC[NH+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCCC[N@H+]2CCC[C@H]2CO)CC1=O ZINC000245756694 1197429984 /nfs/dbraw/zinc/42/99/84/1197429984.db2.gz YMTAZPMVCNMMPW-QRVBRYPASA-N 2 1 394.560 0.672 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000520796641 1197449043 /nfs/dbraw/zinc/44/90/43/1197449043.db2.gz XEHVSYUJOXEUKZ-FUMNGEBKSA-N 2 1 382.508 0.787 20 0 GCADMP O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000520796645 1197449122 /nfs/dbraw/zinc/44/91/22/1197449122.db2.gz XEHVSYUJOXEUKZ-IYWMVGAKSA-N 2 1 382.508 0.787 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000171300304 1197468554 /nfs/dbraw/zinc/46/85/54/1197468554.db2.gz MHJYRUYDKQACGV-SFHVURJKSA-N 2 1 396.557 0.963 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1=O ZINC000246415779 1197469407 /nfs/dbraw/zinc/46/94/07/1197469407.db2.gz LOBWZXRCBBPEDI-CEXWTWQISA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246415779 1197469409 /nfs/dbraw/zinc/46/94/09/1197469409.db2.gz LOBWZXRCBBPEDI-CEXWTWQISA-N 2 1 393.576 0.319 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)CN2CC[NH+](C)CC2)CC1=O ZINC000246415779 1197469413 /nfs/dbraw/zinc/46/94/13/1197469413.db2.gz LOBWZXRCBBPEDI-CEXWTWQISA-N 2 1 393.576 0.319 20 0 GCADMP C(C[NH+]1CC[C@@H](CN2CCOCC2)C1)C[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000246924952 1197475151 /nfs/dbraw/zinc/47/51/51/1197475151.db2.gz QETJNDZFZGWLQV-NHCUHLMSSA-N 2 1 380.577 0.685 20 0 GCADMP CN1CCO[C@H](CNC(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320802 1197475539 /nfs/dbraw/zinc/47/55/39/1197475539.db2.gz GIWNEZJBQZLFKJ-OTWHNJEPSA-N 2 1 376.501 0.499 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)CN2CCOCC2)CC1=O ZINC000247244228 1197475834 /nfs/dbraw/zinc/47/58/34/1197475834.db2.gz ZKKLPKUVPWBHND-FGTMMUONSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000247244228 1197475838 /nfs/dbraw/zinc/47/58/38/1197475838.db2.gz ZKKLPKUVPWBHND-FGTMMUONSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCOCC2)CC1=O ZINC000247244228 1197475840 /nfs/dbraw/zinc/47/58/40/1197475840.db2.gz ZKKLPKUVPWBHND-FGTMMUONSA-N 2 1 380.533 0.404 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000248372170 1197478752 /nfs/dbraw/zinc/47/87/52/1197478752.db2.gz ZOUPCOHWKQAMNO-HKUYNNGSSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1=O ZINC000249296697 1197482483 /nfs/dbraw/zinc/48/24/83/1197482483.db2.gz MPAFHPKTAPXSLA-GUDVDZBRSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000249296697 1197482486 /nfs/dbraw/zinc/48/24/86/1197482486.db2.gz MPAFHPKTAPXSLA-GUDVDZBRSA-N 2 1 393.576 0.461 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H](C)CCN2CC[NH+](C)CC2)CC1=O ZINC000249296697 1197482489 /nfs/dbraw/zinc/48/24/89/1197482489.db2.gz MPAFHPKTAPXSLA-GUDVDZBRSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000988753000 1197503128 /nfs/dbraw/zinc/50/31/28/1197503128.db2.gz LCUWMMALOCBORA-ZJPYXAASSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC000988753000 1197503131 /nfs/dbraw/zinc/50/31/31/1197503131.db2.gz LCUWMMALOCBORA-ZJPYXAASSA-N 2 1 380.533 0.543 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000666796333 1197504589 /nfs/dbraw/zinc/50/45/89/1197504589.db2.gz XMFVNPLBQCLXAO-QGZVFWFLSA-N 2 1 385.512 0.509 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000261743398 1197512916 /nfs/dbraw/zinc/51/29/16/1197512916.db2.gz PKSNCQMSEZWKAG-SFHVURJKSA-N 2 1 383.514 0.757 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763099 1197513646 /nfs/dbraw/zinc/51/36/46/1197513646.db2.gz GCSAOYWGBJHDHX-DOTOQJQBSA-N 2 1 393.532 0.725 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763099 1197513649 /nfs/dbraw/zinc/51/36/49/1197513649.db2.gz GCSAOYWGBJHDHX-DOTOQJQBSA-N 2 1 393.532 0.725 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261786965 1197514840 /nfs/dbraw/zinc/51/48/40/1197514840.db2.gz HVDWRQGYGPANFD-ULQDDVLXSA-N 2 1 390.532 0.944 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261786965 1197514842 /nfs/dbraw/zinc/51/48/42/1197514842.db2.gz HVDWRQGYGPANFD-ULQDDVLXSA-N 2 1 390.532 0.944 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000261828658 1197515976 /nfs/dbraw/zinc/51/59/76/1197515976.db2.gz YLZHIUPPKLNJHM-SFHVURJKSA-N 2 1 398.504 0.329 20 0 GCADMP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)C1 ZINC000261828658 1197515980 /nfs/dbraw/zinc/51/59/80/1197515980.db2.gz YLZHIUPPKLNJHM-SFHVURJKSA-N 2 1 398.504 0.329 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928690 1197519711 /nfs/dbraw/zinc/51/97/11/1197519711.db2.gz WABQHUVRSNQUOD-DOTOQJQBSA-N 2 1 387.484 0.915 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928690 1197519714 /nfs/dbraw/zinc/51/97/14/1197519714.db2.gz WABQHUVRSNQUOD-DOTOQJQBSA-N 2 1 387.484 0.915 20 0 GCADMP O=C(C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928697 1197519845 /nfs/dbraw/zinc/51/98/45/1197519845.db2.gz WABQHUVRSNQUOD-RDJZCZTQSA-N 2 1 387.484 0.915 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)Nc1ccccc1 ZINC000261928697 1197519850 /nfs/dbraw/zinc/51/98/50/1197519850.db2.gz WABQHUVRSNQUOD-RDJZCZTQSA-N 2 1 387.484 0.915 20 0 GCADMP CN(C(=O)CN1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000261984626 1197521528 /nfs/dbraw/zinc/52/15/28/1197521528.db2.gz CHKREDJMRRUMAH-UHFFFAOYSA-N 2 1 379.549 0.217 20 0 GCADMP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)C1 ZINC000262031275 1197523080 /nfs/dbraw/zinc/52/30/80/1197523080.db2.gz GYKIRRRWTDCLKU-MSOLQXFVSA-N 2 1 379.549 0.121 20 0 GCADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000262127796 1197526104 /nfs/dbraw/zinc/52/61/04/1197526104.db2.gz NTBYSSYRLNYSDX-UHFFFAOYSA-N 2 1 375.473 0.727 20 0 GCADMP C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCc3cccs3)CC2)CCO1 ZINC000643488189 1197537515 /nfs/dbraw/zinc/53/75/15/1197537515.db2.gz WBRDPPGIFMPCAL-GOEBONIOSA-N 2 1 380.514 0.009 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000572404597 1197549671 /nfs/dbraw/zinc/54/96/71/1197549671.db2.gz PTIIOIRRLQSLBV-SCTDSRPQSA-N 2 1 389.544 0.723 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000572404597 1197549676 /nfs/dbraw/zinc/54/96/76/1197549676.db2.gz PTIIOIRRLQSLBV-SCTDSRPQSA-N 2 1 389.544 0.723 20 0 GCADMP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000572404597 1197549679 /nfs/dbraw/zinc/54/96/79/1197549679.db2.gz PTIIOIRRLQSLBV-SCTDSRPQSA-N 2 1 389.544 0.723 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508729513 1197567159 /nfs/dbraw/zinc/56/71/59/1197567159.db2.gz KCWKQANWHHHLCX-INIZCTEOSA-N 2 1 391.516 0.800 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000508729513 1197567162 /nfs/dbraw/zinc/56/71/62/1197567162.db2.gz KCWKQANWHHHLCX-INIZCTEOSA-N 2 1 391.516 0.800 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008848 1199000164 /nfs/dbraw/zinc/00/01/64/1199000164.db2.gz CGLIMVBVQUZOHH-NTDBWNAOSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008848 1199000171 /nfs/dbraw/zinc/00/01/71/1199000171.db2.gz CGLIMVBVQUZOHH-NTDBWNAOSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@@H](NC(=O)C(=O)N1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000672008845 1199000207 /nfs/dbraw/zinc/00/02/07/1199000207.db2.gz CGLIMVBVQUZOHH-MTNOOBJLSA-N 2 1 394.560 0.933 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010153 1199002877 /nfs/dbraw/zinc/00/28/77/1199002877.db2.gz UITUJQSKQAFGSL-LPHOPBHVSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC[NH+](C)CC1 ZINC000672010153 1199002882 /nfs/dbraw/zinc/00/28/82/1199002882.db2.gz UITUJQSKQAFGSL-LPHOPBHVSA-N 2 1 393.576 0.460 20 0 GCADMP CN1CC[NH+](CC2(C)CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)CC1 ZINC000542748736 1199023343 /nfs/dbraw/zinc/02/33/43/1199023343.db2.gz PYIOLVCDVLPHNP-GOSISDBHSA-N 2 1 380.581 0.291 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000626928469 1199079922 /nfs/dbraw/zinc/07/99/22/1199079922.db2.gz UMLQLHXHWIBEGS-FMKPAKJESA-N 2 1 379.509 0.500 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000465852696 1199087763 /nfs/dbraw/zinc/08/77/63/1199087763.db2.gz XICHUZFVTXIJJK-ZWKOTPCHSA-N 2 1 397.564 0.681 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099842 1199088833 /nfs/dbraw/zinc/08/88/33/1199088833.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 2 1 379.549 0.214 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099842 1199088838 /nfs/dbraw/zinc/08/88/38/1199088838.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 2 1 379.549 0.214 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099842 1199088846 /nfs/dbraw/zinc/08/88/46/1199088846.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099842 1199088849 /nfs/dbraw/zinc/08/88/49/1199088849.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 3 1 379.549 0.214 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099842 1199088856 /nfs/dbraw/zinc/08/88/56/1199088856.db2.gz YWVLJNDRENYBRP-SFHVURJKSA-N 3 1 379.549 0.214 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CC1 ZINC000672099841 1199089078 /nfs/dbraw/zinc/08/90/78/1199089078.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 2 1 379.549 0.214 20 0 GCADMP CC[N@H+](CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099841 1199089085 /nfs/dbraw/zinc/08/90/85/1199089085.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 2 1 379.549 0.214 20 0 GCADMP CC[N@@H+](CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099841 1199089087 /nfs/dbraw/zinc/08/90/87/1199089087.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 2 1 379.549 0.214 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099841 1199089090 /nfs/dbraw/zinc/08/90/90/1199089090.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 3 1 379.549 0.214 20 0 GCADMP CC[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000672099841 1199089096 /nfs/dbraw/zinc/08/90/96/1199089096.db2.gz YWVLJNDRENYBRP-GOSISDBHSA-N 3 1 379.549 0.214 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CCN2CCOCC2)C1 ZINC001000479584 1199114659 /nfs/dbraw/zinc/11/46/59/1199114659.db2.gz YFGADEQNQKZSBK-BDXSIMOUSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)C1 ZINC001000479584 1199114670 /nfs/dbraw/zinc/11/46/70/1199114670.db2.gz YFGADEQNQKZSBK-BDXSIMOUSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001000469016 1199115746 /nfs/dbraw/zinc/11/57/46/1199115746.db2.gz NIEUSCGNZIHYON-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP C[C@@H]1CCC[N@H+]1CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC[NH+]1CCOCC1 ZINC001000469016 1199115748 /nfs/dbraw/zinc/11/57/48/1199115748.db2.gz NIEUSCGNZIHYON-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000465894867 1199156676 /nfs/dbraw/zinc/15/66/76/1199156676.db2.gz BMTZAJDZMWOKRN-RTBURBONSA-N 3 1 382.597 0.680 20 0 GCADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000465894867 1199156678 /nfs/dbraw/zinc/15/66/78/1199156678.db2.gz BMTZAJDZMWOKRN-RTBURBONSA-N 2 1 382.597 0.680 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CN1CCN(C)CC1 ZINC000465894867 1199156680 /nfs/dbraw/zinc/15/66/80/1199156680.db2.gz BMTZAJDZMWOKRN-RTBURBONSA-N 2 1 382.597 0.680 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672203827 1199158132 /nfs/dbraw/zinc/15/81/32/1199158132.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203827 1199158137 /nfs/dbraw/zinc/15/81/37/1199158137.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672203827 1199158139 /nfs/dbraw/zinc/15/81/39/1199158139.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672203827 1199158140 /nfs/dbraw/zinc/15/81/40/1199158140.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP CC[NH+]1CCCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672203827 1199158142 /nfs/dbraw/zinc/15/81/42/1199158142.db2.gz NVRSNGMHZNYNCJ-RBUKOAKNSA-N 2 1 393.576 0.604 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000656316968 1199170039 /nfs/dbraw/zinc/17/00/39/1199170039.db2.gz AXFXQWSEDYIQCL-SJORKVTESA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000656316968 1199170043 /nfs/dbraw/zinc/17/00/43/1199170043.db2.gz AXFXQWSEDYIQCL-SJORKVTESA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000656316968 1199170047 /nfs/dbraw/zinc/17/00/47/1199170047.db2.gz AXFXQWSEDYIQCL-SJORKVTESA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000265777149 1199170449 /nfs/dbraw/zinc/17/04/49/1199170449.db2.gz UPIGQCSTNZXSGR-ROUUACIJSA-N 2 1 375.517 0.798 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCOC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000672278695 1199186630 /nfs/dbraw/zinc/18/66/30/1199186630.db2.gz HZOXUWWVGPHIBX-KBAYOESNSA-N 2 1 380.533 0.687 20 0 GCADMP C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)CC[C@H]21 ZINC000672313598 1199204868 /nfs/dbraw/zinc/20/48/68/1199204868.db2.gz GHQXHIQMNDRDFU-ZWKOTPCHSA-N 2 1 392.544 0.690 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313120 1199205778 /nfs/dbraw/zinc/20/57/78/1199205778.db2.gz LCKIHTDUKKLGIF-QZTJIDSGSA-N 2 1 392.544 0.690 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000672358018 1199215524 /nfs/dbraw/zinc/21/55/24/1199215524.db2.gz NXFNFBGSGSEDGV-RBUKOAKNSA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000672358018 1199215529 /nfs/dbraw/zinc/21/55/29/1199215529.db2.gz NXFNFBGSGSEDGV-RBUKOAKNSA-N 2 1 388.512 0.556 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000672358018 1199215534 /nfs/dbraw/zinc/21/55/34/1199215534.db2.gz NXFNFBGSGSEDGV-RBUKOAKNSA-N 2 1 388.512 0.556 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1CCN(C)CC1 ZINC000465957400 1199226139 /nfs/dbraw/zinc/22/61/39/1199226139.db2.gz QBBSQWMYAHMWAB-ZWKOTPCHSA-N 2 1 396.580 0.145 20 0 GCADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N1CC[NH+](C)CC1 ZINC000465957400 1199226141 /nfs/dbraw/zinc/22/61/41/1199226141.db2.gz QBBSQWMYAHMWAB-ZWKOTPCHSA-N 2 1 396.580 0.145 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)COC2CC[NH+](C)CC2)C1 ZINC001002790605 1199269982 /nfs/dbraw/zinc/26/99/82/1199269982.db2.gz NPEDFIJACNYAOS-IDCNUPLLSA-N 2 1 378.517 0.297 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588503 1199274609 /nfs/dbraw/zinc/27/46/09/1199274609.db2.gz RCGWVXMKODJEEY-RYRKJORJSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588503 1199274614 /nfs/dbraw/zinc/27/46/14/1199274614.db2.gz RCGWVXMKODJEEY-RYRKJORJSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000672588503 1199274619 /nfs/dbraw/zinc/27/46/19/1199274619.db2.gz RCGWVXMKODJEEY-RYRKJORJSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000672588503 1199274628 /nfs/dbraw/zinc/27/46/28/1199274628.db2.gz RCGWVXMKODJEEY-RYRKJORJSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588502 1199275148 /nfs/dbraw/zinc/27/51/48/1199275148.db2.gz RCGWVXMKODJEEY-BQFCYCMXSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1)[NH+](C)Cc1ccccc1 ZINC000672588502 1199275151 /nfs/dbraw/zinc/27/51/51/1199275151.db2.gz RCGWVXMKODJEEY-BQFCYCMXSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@H+](C)Cc1ccccc1 ZINC000672588502 1199275154 /nfs/dbraw/zinc/27/51/54/1199275154.db2.gz RCGWVXMKODJEEY-BQFCYCMXSA-N 2 1 376.501 0.458 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCO1)[N@@H+](C)Cc1ccccc1 ZINC000672588502 1199275158 /nfs/dbraw/zinc/27/51/58/1199275158.db2.gz RCGWVXMKODJEEY-BQFCYCMXSA-N 2 1 376.501 0.458 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000672596850 1199277050 /nfs/dbraw/zinc/27/70/50/1199277050.db2.gz SDNWUBWKSDRCGQ-RTBURBONSA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000672596850 1199277054 /nfs/dbraw/zinc/27/70/54/1199277054.db2.gz SDNWUBWKSDRCGQ-RTBURBONSA-N 2 1 387.528 0.081 20 0 GCADMP CN1CC[NH+](C)C[C@H]1CNC(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000672596850 1199277060 /nfs/dbraw/zinc/27/70/60/1199277060.db2.gz SDNWUBWKSDRCGQ-RTBURBONSA-N 2 1 387.528 0.081 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638395 1199288721 /nfs/dbraw/zinc/28/87/21/1199288721.db2.gz GOBFMRUIUUBESA-IEBWSBKVSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638395 1199288722 /nfs/dbraw/zinc/28/87/22/1199288722.db2.gz GOBFMRUIUUBESA-IEBWSBKVSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638397 1199289060 /nfs/dbraw/zinc/28/90/60/1199289060.db2.gz GOBFMRUIUUBESA-PKOBYXMFSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)C2)CC1 ZINC000672638397 1199289065 /nfs/dbraw/zinc/28/90/65/1199289065.db2.gz GOBFMRUIUUBESA-PKOBYXMFSA-N 2 1 391.560 0.358 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638644 1199290758 /nfs/dbraw/zinc/29/07/58/1199290758.db2.gz GEEFLIURIGZHEI-ROUUACIJSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638644 1199290763 /nfs/dbraw/zinc/29/07/63/1199290763.db2.gz GEEFLIURIGZHEI-ROUUACIJSA-N 2 1 393.576 0.509 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638230 1199291430 /nfs/dbraw/zinc/29/14/30/1199291430.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638230 1199291439 /nfs/dbraw/zinc/29/14/39/1199291439.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638230 1199291441 /nfs/dbraw/zinc/29/14/41/1199291441.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638230 1199291446 /nfs/dbraw/zinc/29/14/46/1199291446.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638230 1199291449 /nfs/dbraw/zinc/29/14/49/1199291449.db2.gz RBDGFKPQBPTDSG-ZWKOTPCHSA-N 2 1 393.576 0.652 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638646 1199292148 /nfs/dbraw/zinc/29/21/48/1199292148.db2.gz GEEFLIURIGZHEI-ZWKOTPCHSA-N 2 1 393.576 0.509 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C[NH+]1CCCCC1 ZINC000672638646 1199292150 /nfs/dbraw/zinc/29/21/50/1199292150.db2.gz GEEFLIURIGZHEI-ZWKOTPCHSA-N 2 1 393.576 0.509 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640209 1199295210 /nfs/dbraw/zinc/29/52/10/1199295210.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640209 1199295213 /nfs/dbraw/zinc/29/52/13/1199295213.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640209 1199295217 /nfs/dbraw/zinc/29/52/17/1199295217.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672640209 1199295222 /nfs/dbraw/zinc/29/52/22/1199295222.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672640209 1199295226 /nfs/dbraw/zinc/29/52/26/1199295226.db2.gz XHBDRGUPXDJMGT-ROUUACIJSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641014 1199297374 /nfs/dbraw/zinc/29/73/74/1199297374.db2.gz JUPMTSRJVFNUKW-HOTGVXAUSA-N 2 1 381.565 0.364 20 0 GCADMP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641014 1199297379 /nfs/dbraw/zinc/29/73/79/1199297379.db2.gz JUPMTSRJVFNUKW-HOTGVXAUSA-N 2 1 381.565 0.364 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640960 1199297421 /nfs/dbraw/zinc/29/74/21/1199297421.db2.gz HPQOGHXPGSIGNW-QGZVFWFLSA-N 2 1 379.549 0.215 20 0 GCADMP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640960 1199297425 /nfs/dbraw/zinc/29/74/25/1199297425.db2.gz HPQOGHXPGSIGNW-QGZVFWFLSA-N 2 1 379.549 0.215 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672641399 1199298035 /nfs/dbraw/zinc/29/80/35/1199298035.db2.gz QVAHPHFBEOFLQM-GOSISDBHSA-N 2 1 393.576 0.606 20 0 GCADMP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672641399 1199298040 /nfs/dbraw/zinc/29/80/40/1199298040.db2.gz QVAHPHFBEOFLQM-GOSISDBHSA-N 2 1 393.576 0.606 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641015 1199298521 /nfs/dbraw/zinc/29/85/21/1199298521.db2.gz JUPMTSRJVFNUKW-HZPDHXFCSA-N 2 1 381.565 0.364 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)(C)C[NH+](C)C ZINC000672641015 1199298524 /nfs/dbraw/zinc/29/85/24/1199298524.db2.gz JUPMTSRJVFNUKW-HZPDHXFCSA-N 2 1 381.565 0.364 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641029 1199298830 /nfs/dbraw/zinc/29/88/30/1199298830.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641029 1199298835 /nfs/dbraw/zinc/29/88/35/1199298835.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[NH+]4C)C3)C2)CC1 ZINC000672641029 1199298840 /nfs/dbraw/zinc/29/88/40/1199298840.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)C2)CC1 ZINC000672641029 1199298844 /nfs/dbraw/zinc/29/88/44/1199298844.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)C2)CC1 ZINC000672641029 1199298857 /nfs/dbraw/zinc/29/88/57/1199298857.db2.gz KDNCJZSXYOZXFK-LNLFQRSKSA-N 2 1 391.560 0.214 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642565 1199301275 /nfs/dbraw/zinc/30/12/75/1199301275.db2.gz CQOQSDZSMXSPEP-MJGOQNOKSA-N 2 1 391.560 0.358 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000672642565 1199301280 /nfs/dbraw/zinc/30/12/80/1199301280.db2.gz CQOQSDZSMXSPEP-MJGOQNOKSA-N 2 1 391.560 0.358 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672641798 1199304052 /nfs/dbraw/zinc/30/40/52/1199304052.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641798 1199304059 /nfs/dbraw/zinc/30/40/59/1199304059.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672641798 1199304065 /nfs/dbraw/zinc/30/40/65/1199304065.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672641798 1199304067 /nfs/dbraw/zinc/30/40/67/1199304067.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672641798 1199304072 /nfs/dbraw/zinc/30/40/72/1199304072.db2.gz XKQLQOFDQNIGIG-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643007 1199305001 /nfs/dbraw/zinc/30/50/01/1199305001.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000672643007 1199305008 /nfs/dbraw/zinc/30/50/08/1199305008.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000672643007 1199305012 /nfs/dbraw/zinc/30/50/12/1199305012.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643007 1199305014 /nfs/dbraw/zinc/30/50/14/1199305014.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 2 1 377.533 0.013 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000672643007 1199305017 /nfs/dbraw/zinc/30/50/17/1199305017.db2.gz MLHWMPUOEILGLU-PMPSAXMXSA-N 2 1 377.533 0.013 20 0 GCADMP CCOCCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000672648095 1199308585 /nfs/dbraw/zinc/30/85/85/1199308585.db2.gz XRGTUCWMSHWSCV-BDXSIMOUSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC000672648095 1199308592 /nfs/dbraw/zinc/30/85/92/1199308592.db2.gz XRGTUCWMSHWSCV-BDXSIMOUSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC000672648095 1199308600 /nfs/dbraw/zinc/30/86/00/1199308600.db2.gz XRGTUCWMSHWSCV-BDXSIMOUSA-N 2 1 398.548 0.075 20 0 GCADMP CCOCCC[NH+]1CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC000672648095 1199308606 /nfs/dbraw/zinc/30/86/06/1199308606.db2.gz XRGTUCWMSHWSCV-BDXSIMOUSA-N 2 1 398.548 0.075 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000672655523 1199309790 /nfs/dbraw/zinc/30/97/90/1199309790.db2.gz AMHZSXZLHLACHS-RBUKOAKNSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672655523 1199309795 /nfs/dbraw/zinc/30/97/95/1199309795.db2.gz AMHZSXZLHLACHS-RBUKOAKNSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655523 1199309800 /nfs/dbraw/zinc/30/98/00/1199309800.db2.gz AMHZSXZLHLACHS-RBUKOAKNSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672655522 1199310638 /nfs/dbraw/zinc/31/06/38/1199310638.db2.gz AMHZSXZLHLACHS-OALUTQOASA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672655522 1199310641 /nfs/dbraw/zinc/31/06/41/1199310641.db2.gz AMHZSXZLHLACHS-OALUTQOASA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655522 1199310643 /nfs/dbraw/zinc/31/06/43/1199310643.db2.gz AMHZSXZLHLACHS-OALUTQOASA-N 2 1 393.576 0.606 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000672690353 1199316982 /nfs/dbraw/zinc/31/69/82/1199316982.db2.gz CJJXPXGDTCDJHS-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000672690353 1199316990 /nfs/dbraw/zinc/31/69/90/1199316990.db2.gz CJJXPXGDTCDJHS-ROUUACIJSA-N 2 1 382.549 0.936 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672869732 1199355746 /nfs/dbraw/zinc/35/57/46/1199355746.db2.gz DXAJANAYGBGELG-NVXWUHKLSA-N 2 1 380.533 0.687 20 0 GCADMP CN(C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672869732 1199355750 /nfs/dbraw/zinc/35/57/50/1199355750.db2.gz DXAJANAYGBGELG-NVXWUHKLSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673096081 1199417286 /nfs/dbraw/zinc/41/72/86/1199417286.db2.gz XCQKSKFPMPVHFW-YJBOKZPZSA-N 2 1 388.512 0.037 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C2CCC2)C1 ZINC001003190852 1199445397 /nfs/dbraw/zinc/44/53/97/1199445397.db2.gz SMQARXYJQQNARF-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[NH+](C)C2CCC2)C1 ZINC001003190852 1199445401 /nfs/dbraw/zinc/44/54/01/1199445401.db2.gz SMQARXYJQQNARF-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@H+](C)C2CCC2)C1 ZINC001003190852 1199445405 /nfs/dbraw/zinc/44/54/05/1199445405.db2.gz SMQARXYJQQNARF-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP CC[NH+]1CCO[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001003190852 1199445408 /nfs/dbraw/zinc/44/54/08/1199445408.db2.gz SMQARXYJQQNARF-ZJPYXAASSA-N 2 1 378.517 0.440 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000673276303 1199515132 /nfs/dbraw/zinc/51/51/32/1199515132.db2.gz BWPQNAGBABNKSV-CRAIPNDOSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000673276303 1199515137 /nfs/dbraw/zinc/51/51/37/1199515137.db2.gz BWPQNAGBABNKSV-CRAIPNDOSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673276312 1199516736 /nfs/dbraw/zinc/51/67/36/1199516736.db2.gz BWPQNAGBABNKSV-YJBOKZPZSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673276312 1199516743 /nfs/dbraw/zinc/51/67/43/1199516743.db2.gz BWPQNAGBABNKSV-YJBOKZPZSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[N@H+](C)CCO1 ZINC000673293077 1199522857 /nfs/dbraw/zinc/52/28/57/1199522857.db2.gz VJAKPVVHZQYEKA-MSOLQXFVSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@@H](NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673293077 1199522863 /nfs/dbraw/zinc/52/28/63/1199522863.db2.gz VJAKPVVHZQYEKA-MSOLQXFVSA-N 2 1 394.560 0.984 20 0 GCADMP C[C@H](CCNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)[NH+]1CCCCC1 ZINC000673307637 1199532244 /nfs/dbraw/zinc/53/22/44/1199532244.db2.gz BPCQWKPQNWGSHO-RTBURBONSA-N 2 1 393.576 0.606 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000673325592 1199540452 /nfs/dbraw/zinc/54/04/52/1199540452.db2.gz BCMWPGXYEGIWJX-PKOBYXMFSA-N 2 1 390.528 0.802 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000673337141 1199550049 /nfs/dbraw/zinc/55/00/49/1199550049.db2.gz HUMAJKXBGFCUAN-ROUUACIJSA-N 2 1 382.549 0.719 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000673446305 1199659259 /nfs/dbraw/zinc/65/92/59/1199659259.db2.gz VGEPWBRCMKARBG-SJORKVTESA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCO1 ZINC000673469358 1199685634 /nfs/dbraw/zinc/68/56/34/1199685634.db2.gz GUFOWMNYVHZVJX-QRQLOZEOSA-N 2 1 394.560 0.933 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000118102773 1199743626 /nfs/dbraw/zinc/74/36/26/1199743626.db2.gz VKZUAWWXDHWRLS-IBGZPJMESA-N 2 1 388.512 0.956 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1=O ZINC000673550176 1199781439 /nfs/dbraw/zinc/78/14/39/1199781439.db2.gz PTQSRXOEEOBVCC-MJGOQNOKSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000673584251 1199830123 /nfs/dbraw/zinc/83/01/23/1199830123.db2.gz ICTMWJSFCLFHME-ROUUACIJSA-N 2 1 380.533 0.423 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000673585361 1199831672 /nfs/dbraw/zinc/83/16/72/1199831672.db2.gz JUSFVPJGDVWWMK-ROUUACIJSA-N 2 1 380.533 0.425 20 0 GCADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000673586373 1199832070 /nfs/dbraw/zinc/83/20/70/1199832070.db2.gz WPMHDUMDNSBHQJ-GRGSLBFTSA-N 2 1 392.544 0.469 20 0 GCADMP C[NH+]1CCN(c2cc(C(=O)Nc3ccc(N4CC[NH2+]CC4)cn3)ccn2)CC1 ZINC000429049310 1199899370 /nfs/dbraw/zinc/89/93/70/1199899370.db2.gz URBZLVBWBKHAPO-UHFFFAOYSA-N 2 1 381.484 0.890 20 0 GCADMP CN1C(=O)C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000282412123 1199902947 /nfs/dbraw/zinc/90/29/47/1199902947.db2.gz GCHBXVHMJCCRQP-LPHOPBHVSA-N 2 1 380.439 0.990 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925849 /nfs/dbraw/zinc/92/58/49/1199925849.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 2 1 386.540 0.908 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925851 /nfs/dbraw/zinc/92/58/51/1199925851.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925853 /nfs/dbraw/zinc/92/58/53/1199925853.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925855 /nfs/dbraw/zinc/92/58/55/1199925855.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 1 386.540 0.908 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000673668758 1199925856 /nfs/dbraw/zinc/92/58/56/1199925856.db2.gz IWJOLZLDXFKVQK-UGKGYDQZSA-N 3 1 386.540 0.908 20 0 GCADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 ZINC000625559449 1200036455 /nfs/dbraw/zinc/03/64/55/1200036455.db2.gz CARVNJRRAPWVEW-HNNXBMFYSA-N 2 1 376.505 0.257 20 0 GCADMP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978652 1200045048 /nfs/dbraw/zinc/04/50/48/1200045048.db2.gz AWWGICKDQMVMND-SJLPKXTDSA-N 2 1 385.578 0.129 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978641 1200045170 /nfs/dbraw/zinc/04/51/70/1200045170.db2.gz AWWGICKDQMVMND-AEFFLSMTSA-N 2 1 385.578 0.129 20 0 GCADMP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](CCN3CCOCC3)C2)CCSC1 ZINC000673978654 1200045634 /nfs/dbraw/zinc/04/56/34/1200045634.db2.gz AWWGICKDQMVMND-WMZOPIPTSA-N 2 1 385.578 0.129 20 0 GCADMP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000171306338 1200205549 /nfs/dbraw/zinc/20/55/49/1200205549.db2.gz YEQPLMBNXNNISB-HDICACEKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC(=O)NCCCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000171306338 1200205554 /nfs/dbraw/zinc/20/55/54/1200205554.db2.gz YEQPLMBNXNNISB-HDICACEKSA-N 2 1 394.560 0.936 20 0 GCADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000670481538 1200310211 /nfs/dbraw/zinc/31/02/11/1200310211.db2.gz RQLXTCSIIXZECA-OAHLLOKOSA-N 2 1 393.576 0.697 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)CC1 ZINC000670481538 1200310213 /nfs/dbraw/zinc/31/02/13/1200310213.db2.gz RQLXTCSIIXZECA-OAHLLOKOSA-N 2 1 393.576 0.697 20 0 GCADMP CCc1cc(CNC(=O)C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n[nH]1 ZINC000804084181 1200491220 /nfs/dbraw/zinc/49/12/20/1200491220.db2.gz OWBQIMRZTARLFZ-UHFFFAOYSA-N 2 1 399.499 0.312 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000676169426 1200504971 /nfs/dbraw/zinc/50/49/71/1200504971.db2.gz XLZOOPLSGYNKAZ-UFYCRDLUSA-N 2 1 393.576 0.786 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000676169280 1200505829 /nfs/dbraw/zinc/50/58/29/1200505829.db2.gz VWAPCFMQQLFAHK-QRVBRYPASA-N 2 1 380.533 0.870 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@H+](C)CCO3)CC2)CC1 ZINC000676359224 1200551097 /nfs/dbraw/zinc/55/10/97/1200551097.db2.gz MDYWVFAPOSCFAA-MJGOQNOKSA-N 2 1 381.565 0.906 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)CC2)CC1 ZINC000676359224 1200551099 /nfs/dbraw/zinc/55/10/99/1200551099.db2.gz MDYWVFAPOSCFAA-MJGOQNOKSA-N 2 1 381.565 0.906 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000369782500 1200612692 /nfs/dbraw/zinc/61/26/92/1200612692.db2.gz NMZZPZWQIJBTSU-BBWFWOEESA-N 2 1 378.521 1.550 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H](C)O1 ZINC000369782500 1200612697 /nfs/dbraw/zinc/61/26/97/1200612697.db2.gz NMZZPZWQIJBTSU-BBWFWOEESA-N 2 1 378.521 1.550 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000448486553 1200628587 /nfs/dbraw/zinc/62/85/87/1200628587.db2.gz WOXALEBGATVDIV-CALCHBBNSA-N 2 1 392.548 1.258 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000366739532 1200637947 /nfs/dbraw/zinc/63/79/47/1200637947.db2.gz WIKOHZKNCMTWRK-QGZVFWFLSA-N 2 1 390.532 1.297 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000377034704 1200639482 /nfs/dbraw/zinc/63/94/82/1200639482.db2.gz XIKXIPDEKFFQKY-AEFFLSMTSA-N 2 1 398.511 1.162 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)c1ccco1 ZINC000373314243 1200649467 /nfs/dbraw/zinc/64/94/67/1200649467.db2.gz VOJPKPIRQWESKY-HNNXBMFYSA-N 2 1 388.472 1.100 20 0 GCADMP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@H+]1Cc1ccccc1 ZINC000377034705 1200706648 /nfs/dbraw/zinc/70/66/48/1200706648.db2.gz XIKXIPDEKFFQKY-FUHWJXTLSA-N 2 1 398.511 1.162 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000477030005 1200788828 /nfs/dbraw/zinc/78/88/28/1200788828.db2.gz UYENIWNXRGVVLJ-VQIMIIECSA-N 2 1 390.528 0.716 20 0 GCADMP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)C[C@H](O)CC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923267807 1200914793 /nfs/dbraw/zinc/91/47/93/1200914793.db2.gz HRZCZHRPHLUCIR-YANVKFGNSA-N 2 1 392.544 0.518 20 0 GCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](O)CC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923267807 1200914796 /nfs/dbraw/zinc/91/47/96/1200914796.db2.gz HRZCZHRPHLUCIR-YANVKFGNSA-N 2 1 392.544 0.518 20 0 GCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](O)CC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923267807 1200914799 /nfs/dbraw/zinc/91/47/99/1200914799.db2.gz HRZCZHRPHLUCIR-YANVKFGNSA-N 2 1 392.544 0.518 20 0 GCADMP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](C)C2)O1)[C@@H]1CCC[N@@H+](C)C1 ZINC000189876561 1200954030 /nfs/dbraw/zinc/95/40/30/1200954030.db2.gz VDAYCRPAEJQARL-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)O1)[C@@H]1CCC[NH+](C)C1 ZINC000189876561 1200954037 /nfs/dbraw/zinc/95/40/37/1200954037.db2.gz VDAYCRPAEJQARL-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)O1)[C@@H]1CCC[NH+](C)C1 ZINC000189876561 1200954038 /nfs/dbraw/zinc/95/40/38/1200954038.db2.gz VDAYCRPAEJQARL-TVFCKZIOSA-N 2 1 380.533 0.639 20 0 GCADMP Cc1cccc(N2CCC(NC(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)[nH+]1 ZINC000446767846 1200956181 /nfs/dbraw/zinc/95/61/81/1200956181.db2.gz FQQHBJRDURQPFB-UHFFFAOYSA-N 2 1 399.499 0.872 20 0 GCADMP NC(=O)[C@H](c1ccc(Cl)cc1)N1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923369825 1200968892 /nfs/dbraw/zinc/96/88/92/1200968892.db2.gz PNJKIKICIKNDAL-SJORKVTESA-N 2 1 378.904 0.863 20 0 GCADMP O=C1N[C@@H]2C[N@@H+](C[C@H](O)COc3ccccc3F)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000923378187 1200973649 /nfs/dbraw/zinc/97/36/49/1200973649.db2.gz RQGDFECESPFXPH-CGTJXYLNSA-N 2 1 392.475 0.786 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369632794 1201001573 /nfs/dbraw/zinc/00/15/73/1201001573.db2.gz YUGOJZWYGLYMRS-MRXNPFEDSA-N 2 1 390.532 1.469 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369483799 1201073067 /nfs/dbraw/zinc/07/30/67/1201073067.db2.gz JUKMLMQFFWIJSM-OAHLLOKOSA-N 2 1 376.505 0.936 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3CN(C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC000946914729 1201092296 /nfs/dbraw/zinc/09/22/96/1201092296.db2.gz ZUPWPYMPDFAWFB-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@@H+]1C ZINC000946914729 1201092306 /nfs/dbraw/zinc/09/23/06/1201092306.db2.gz ZUPWPYMPDFAWFB-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)CC2)CC[N@H+]1C ZINC000946914729 1201092319 /nfs/dbraw/zinc/09/23/19/1201092319.db2.gz ZUPWPYMPDFAWFB-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000946914729 1201092327 /nfs/dbraw/zinc/09/23/27/1201092327.db2.gz ZUPWPYMPDFAWFB-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)CC[NH+]1C ZINC000946914729 1201092335 /nfs/dbraw/zinc/09/23/35/1201092335.db2.gz ZUPWPYMPDFAWFB-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H]1C[N@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717293 1201254108 /nfs/dbraw/zinc/25/41/08/1201254108.db2.gz AGHJQYCMBGFENM-ZESCBINXSA-N 2 1 392.544 0.448 20 0 GCADMP C[C@@H]1C[N@@H+](CC(=O)NC2CC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079717293 1201254112 /nfs/dbraw/zinc/25/41/12/1201254112.db2.gz AGHJQYCMBGFENM-ZESCBINXSA-N 2 1 392.544 0.448 20 0 GCADMP C[C@@H]1C[N@@H+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001079723694 1201255183 /nfs/dbraw/zinc/25/51/83/1201255183.db2.gz FIWSVHCYQBBUOH-KLHDSHLOSA-N 2 1 377.537 0.747 20 0 GCADMP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001079723694 1201255185 /nfs/dbraw/zinc/25/51/85/1201255185.db2.gz FIWSVHCYQBBUOH-KLHDSHLOSA-N 2 1 377.537 0.747 20 0 GCADMP C[C@@H]1C[NH+](CCc2nnn(C(C)(C)C)n2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001079723694 1201255189 /nfs/dbraw/zinc/25/51/89/1201255189.db2.gz FIWSVHCYQBBUOH-KLHDSHLOSA-N 2 1 377.537 0.747 20 0 GCADMP C[C@@H]1C[N@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079720073 1201255368 /nfs/dbraw/zinc/25/53/68/1201255368.db2.gz SWRRXNIGBRFPDD-UIXUWTQFSA-N 2 1 392.544 0.402 20 0 GCADMP C[C@@H]1C[N@@H+](CC(=O)N2CCC2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079720073 1201255370 /nfs/dbraw/zinc/25/53/70/1201255370.db2.gz SWRRXNIGBRFPDD-UIXUWTQFSA-N 2 1 392.544 0.402 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C)CC[N@H+]1C ZINC001079732179 1201255544 /nfs/dbraw/zinc/25/55/44/1201255544.db2.gz CFQFYDWNCHFYAZ-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C)CC[NH+]1C ZINC001079732179 1201255552 /nfs/dbraw/zinc/25/55/52/1201255552.db2.gz CFQFYDWNCHFYAZ-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](CCN3C(=O)NC(C)(C)C3=O)C[C@H]2C)CC[NH+]1C ZINC001079732179 1201255555 /nfs/dbraw/zinc/25/55/55/1201255555.db2.gz CFQFYDWNCHFYAZ-QKPAOTATSA-N 2 1 393.532 0.484 20 0 GCADMP C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000727076424 1201333371 /nfs/dbraw/zinc/33/33/71/1201333371.db2.gz HHLVSOJCMRHSTN-QGZVFWFLSA-N 2 1 385.622 0.692 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnn(C)n1 ZINC001082518663 1201336025 /nfs/dbraw/zinc/33/60/25/1201336025.db2.gz XQWHNTQDGZCMFG-AXUOBQJMSA-N 2 1 390.532 0.499 20 0 GCADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C[C@H]2C)cc1 ZINC001082590208 1201339074 /nfs/dbraw/zinc/33/90/74/1201339074.db2.gz JRWBCYIJDQZZLR-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C[C@H]2C)cc1 ZINC001082590208 1201339077 /nfs/dbraw/zinc/33/90/77/1201339077.db2.gz JRWBCYIJDQZZLR-OHDICMOHSA-N 2 1 388.512 0.702 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cccs4)C[C@@H]32)O1 ZINC001083119486 1201381136 /nfs/dbraw/zinc/38/11/36/1201381136.db2.gz WHRBKAWLAJZONN-BZZMCLGOSA-N 2 1 379.526 0.921 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCc4cccs4)C[C@@H]32)O1 ZINC001083119486 1201381140 /nfs/dbraw/zinc/38/11/40/1201381140.db2.gz WHRBKAWLAJZONN-BZZMCLGOSA-N 2 1 379.526 0.921 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCc4cccs4)C[C@@H]32)O1 ZINC001083119486 1201381143 /nfs/dbraw/zinc/38/11/43/1201381143.db2.gz WHRBKAWLAJZONN-BZZMCLGOSA-N 2 1 379.526 0.921 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCc4cccs4)C[C@@H]32)O1 ZINC001083119486 1201381147 /nfs/dbraw/zinc/38/11/47/1201381147.db2.gz WHRBKAWLAJZONN-BZZMCLGOSA-N 2 1 379.526 0.921 20 0 GCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085712 1201382451 /nfs/dbraw/zinc/38/24/51/1201382451.db2.gz HADSKEQVIZAMPV-AKHDSKFASA-N 2 1 375.517 0.752 20 0 GCADMP Cc1cc(C)n(CC[NH+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085712 1201382454 /nfs/dbraw/zinc/38/24/54/1201382454.db2.gz HADSKEQVIZAMPV-AKHDSKFASA-N 2 1 375.517 0.752 20 0 GCADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085712 1201382458 /nfs/dbraw/zinc/38/24/58/1201382458.db2.gz HADSKEQVIZAMPV-AKHDSKFASA-N 2 1 375.517 0.752 20 0 GCADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3OCCN(C(=O)[C@@H]4CC[NH+](C)[C@@H]4C)[C@H]3C2)n1 ZINC001083085712 1201382460 /nfs/dbraw/zinc/38/24/60/1201382460.db2.gz HADSKEQVIZAMPV-AKHDSKFASA-N 2 1 375.517 0.752 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[NH+](CCCN4CCCC4=O)C[C@@H]32)CC[N@H+]1C ZINC001083085687 1201382776 /nfs/dbraw/zinc/38/27/76/1201382776.db2.gz FXFPPPFLTFOUNF-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCN4CCCC4=O)C[C@@H]32)CC[NH+]1C ZINC001083085687 1201382793 /nfs/dbraw/zinc/38/27/93/1201382793.db2.gz FXFPPPFLTFOUNF-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCN4CCCC4=O)C[C@@H]32)CC[NH+]1C ZINC001083085687 1201382799 /nfs/dbraw/zinc/38/27/99/1201382799.db2.gz FXFPPPFLTFOUNF-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4nc(C)nc4C)C[C@@H]32)CC[N@@H+]1C ZINC001083087604 1201384946 /nfs/dbraw/zinc/38/49/46/1201384946.db2.gz UARWFQTYAIYMLA-ZSYWTGECSA-N 2 1 390.532 0.537 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCn4nc(C)nc4C)C[C@@H]32)CC[N@H+]1C ZINC001083087604 1201384949 /nfs/dbraw/zinc/38/49/49/1201384949.db2.gz UARWFQTYAIYMLA-ZSYWTGECSA-N 2 1 390.532 0.537 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCn4nc(C)nc4C)C[C@@H]32)CC[NH+]1C ZINC001083087604 1201384954 /nfs/dbraw/zinc/38/49/54/1201384954.db2.gz UARWFQTYAIYMLA-ZSYWTGECSA-N 2 1 390.532 0.537 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCn4nc(C)nc4C)C[C@@H]32)CC[NH+]1C ZINC001083087604 1201384958 /nfs/dbraw/zinc/38/49/58/1201384958.db2.gz UARWFQTYAIYMLA-ZSYWTGECSA-N 2 1 390.532 0.537 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCOCC4)C[C@H]32)CC[N@@H+]1C ZINC001084357414 1201411220 /nfs/dbraw/zinc/41/12/20/1201411220.db2.gz ZKMQVGRDYRAURG-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[NH+](CC(=O)N4CCOCC4)C[C@H]32)CC[N@H+]1C ZINC001084357414 1201411227 /nfs/dbraw/zinc/41/12/27/1201411227.db2.gz ZKMQVGRDYRAURG-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@H+](CC(=O)N4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001084357414 1201411231 /nfs/dbraw/zinc/41/12/31/1201411231.db2.gz ZKMQVGRDYRAURG-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[N@@H+](CC(=O)N4CCOCC4)C[C@H]32)CC[NH+]1C ZINC001084357414 1201411233 /nfs/dbraw/zinc/41/12/33/1201411233.db2.gz ZKMQVGRDYRAURG-XMTFNYHQSA-N 2 1 378.517 0.108 20 0 GCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2C[C@H]3CC[N@@H+](Cc4ccc5nonc5c4)C[C@H]32)O1 ZINC001084447493 1201412759 /nfs/dbraw/zinc/41/27/59/1201412759.db2.gz PZSZXGLNYZMWJQ-SVYNMNNPSA-N 2 1 385.468 0.975 20 0 GCADMP C[C@@H]1CN(C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCN4CCCC4=O)[C@H]3C2)O1 ZINC001084970983 1201517774 /nfs/dbraw/zinc/51/77/74/1201517774.db2.gz FXOVXJWWAFHKTQ-AKHDSKFASA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4CCCC4=O)[C@H]3C2)O1 ZINC001084970983 1201517782 /nfs/dbraw/zinc/51/77/82/1201517782.db2.gz FXOVXJWWAFHKTQ-AKHDSKFASA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCCN4CCCC4=O)[C@H]3C2)O1 ZINC001084970983 1201517784 /nfs/dbraw/zinc/51/77/84/1201517784.db2.gz FXOVXJWWAFHKTQ-AKHDSKFASA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCCN4CCCC4=O)[C@H]3C2)O1 ZINC001084970983 1201517788 /nfs/dbraw/zinc/51/77/88/1201517788.db2.gz FXOVXJWWAFHKTQ-AKHDSKFASA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCCN4CCCC4=O)[C@H]3C2)O1 ZINC001084970983 1201517791 /nfs/dbraw/zinc/51/77/91/1201517791.db2.gz FXOVXJWWAFHKTQ-AKHDSKFASA-N 2 1 392.544 0.641 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CCOCC2)CC[N@H+]1C ZINC001085203623 1201634056 /nfs/dbraw/zinc/63/40/56/1201634056.db2.gz SWZYXJWPYXJHNG-BSDSXHPESA-N 2 1 380.533 0.593 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CCN2C(=O)CNC2=O)CC[N@H+]1C ZINC001085204693 1201634505 /nfs/dbraw/zinc/63/45/05/1201634505.db2.gz DYGASWBTLBEVJW-ZJIFWQFVSA-N 2 1 379.505 0.286 20 0 GCADMP COCc1noc(CN[C@@H]2CCCC[C@H]2NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)n1 ZINC001085242553 1201647661 /nfs/dbraw/zinc/64/76/61/1201647661.db2.gz WRSXKWMWVNKOLA-KBUPBQIOSA-N 2 1 381.477 0.452 20 0 GCADMP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@H]2CCCC[C@H]2NCc2nnc3n2CCCC3)O1 ZINC001085242365 1201648108 /nfs/dbraw/zinc/64/81/08/1201648108.db2.gz OPUFAJPRIHBKRK-QBPKDAKJSA-N 2 1 390.532 0.851 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000735592353 1201694733 /nfs/dbraw/zinc/69/47/33/1201694733.db2.gz DRKDLSCVCPMQQJ-FUHWJXTLSA-N 2 1 390.484 0.545 20 0 GCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCOC)cc2)CC1 ZINC000735590805 1201694752 /nfs/dbraw/zinc/69/47/52/1201694752.db2.gz UOXMECBUZKPPBZ-UHFFFAOYSA-N 2 1 391.516 0.461 20 0 GCADMP C[NH+]1CCN(CCCCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000737048675 1201720010 /nfs/dbraw/zinc/72/00/10/1201720010.db2.gz YAMNNUUYULCZEY-LJQANCHMSA-N 2 1 381.565 0.957 20 0 GCADMP CN(C(=O)COCCOCC(=O)N(C)[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH+](C)C1 ZINC000741623516 1201781824 /nfs/dbraw/zinc/78/18/24/1201781824.db2.gz CSVBWCNQQBPDQW-ROUUACIJSA-N 2 1 398.548 0.125 20 0 GCADMP CN1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000742473210 1201797700 /nfs/dbraw/zinc/79/77/00/1201797700.db2.gz XILHKICZBOMWSF-UHFFFAOYSA-N 2 1 382.402 0.585 20 0 GCADMP CN1CCCN(C(=O)C(F)(F)C(F)(F)C(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000742473210 1201797705 /nfs/dbraw/zinc/79/77/05/1201797705.db2.gz XILHKICZBOMWSF-UHFFFAOYSA-N 2 1 382.402 0.585 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000743919367 1201828145 /nfs/dbraw/zinc/82/81/45/1201828145.db2.gz HMYAXGQHXYSTED-MRXNPFEDSA-N 2 1 389.500 0.214 20 0 GCADMP Cn1cc(C[C@H]2CC(=O)N(C[NH+]3CCC(OCC[NH+](C)C)CC3)C2=O)cn1 ZINC000746381542 1201916685 /nfs/dbraw/zinc/91/66/85/1201916685.db2.gz WQYPEOYZFQJCSO-INIZCTEOSA-N 2 1 377.489 0.338 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000103121230 1201917223 /nfs/dbraw/zinc/91/72/23/1201917223.db2.gz RPGOCIBEXHKVLZ-GGPKGHCWSA-N 2 1 394.560 0.887 20 0 GCADMP Cc1c[nH+]c(CC[NH3+])n1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169168002 1201934403 /nfs/dbraw/zinc/93/44/03/1201934403.db2.gz LSLKWEYDTUZCDM-CYBMUJFWSA-N 2 1 387.488 0.871 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1cc[nH+]c1CCC[NH3+] ZINC001169194697 1201936181 /nfs/dbraw/zinc/93/61/81/1201936181.db2.gz COCFKQQYXZBGEX-CQSZACIVSA-N 2 1 387.488 0.953 20 0 GCADMP C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[N@@H+](C)CCC[NH+](C)C ZINC001169197924 1201936270 /nfs/dbraw/zinc/93/62/70/1201936270.db2.gz YALPHPBSKKYCHX-HNNXBMFYSA-N 2 1 378.521 0.876 20 0 GCADMP C[NH+]1CCN(C(=O)COCCOCC(=O)N2CC[N@H+](C)CC2(C)C)C(C)(C)C1 ZINC000766621737 1201939024 /nfs/dbraw/zinc/93/90/24/1201939024.db2.gz AGZVWNOJEBHREI-UHFFFAOYSA-N 2 1 398.548 0.125 20 0 GCADMP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000867012758 1201960261 /nfs/dbraw/zinc/96/02/61/1201960261.db2.gz OZLMXGGXMCKHDP-INIZCTEOSA-N 2 1 386.537 0.747 20 0 GCADMP CC(=O)NCCOCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C2 ZINC001109272418 1202010353 /nfs/dbraw/zinc/01/03/53/1202010353.db2.gz ITMAWAYAOUTYML-XWSJACJDSA-N 2 1 380.533 0.733 20 0 GCADMP CC(=O)NCCOCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109272418 1202010355 /nfs/dbraw/zinc/01/03/55/1202010355.db2.gz ITMAWAYAOUTYML-XWSJACJDSA-N 2 1 380.533 0.733 20 0 GCADMP CC(=O)NCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001109272418 1202010360 /nfs/dbraw/zinc/01/03/60/1202010360.db2.gz ITMAWAYAOUTYML-XWSJACJDSA-N 2 1 380.533 0.733 20 0 GCADMP COCCOCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C2 ZINC001109301930 1202017821 /nfs/dbraw/zinc/01/78/21/1202017821.db2.gz QPJOKIKBNOMKCB-NJAFHUGGSA-N 2 1 379.505 0.443 20 0 GCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CCOCC1 ZINC001109400680 1202038389 /nfs/dbraw/zinc/03/83/89/1202038389.db2.gz QGFULZCDGNBGTD-YDZRNGNQSA-N 2 1 375.517 0.961 20 0 GCADMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC1CCOCC1 ZINC001109400680 1202038390 /nfs/dbraw/zinc/03/83/90/1202038390.db2.gz QGFULZCDGNBGTD-YDZRNGNQSA-N 2 1 375.517 0.961 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1 ZINC001109449121 1202052175 /nfs/dbraw/zinc/05/21/75/1202052175.db2.gz FPJRVXZMOUBJRW-IKGGRYGDSA-N 2 1 376.505 0.358 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655322 1202099392 /nfs/dbraw/zinc/09/93/92/1202099392.db2.gz PRZBVJQKHZFQHZ-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)C2 ZINC001109655322 1202099394 /nfs/dbraw/zinc/09/93/94/1202099394.db2.gz PRZBVJQKHZFQHZ-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000770580940 1202104125 /nfs/dbraw/zinc/10/41/25/1202104125.db2.gz DKUDDLJKBVJLFQ-PKOBYXMFSA-N 2 1 381.565 0.955 20 0 GCADMP C[N@H+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109726484 1202110084 /nfs/dbraw/zinc/11/00/84/1202110084.db2.gz YHIZSJWPHHWCEM-AABGKKOBSA-N 2 1 375.513 0.891 20 0 GCADMP C[N@@H+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109726484 1202110086 /nfs/dbraw/zinc/11/00/86/1202110086.db2.gz YHIZSJWPHHWCEM-AABGKKOBSA-N 2 1 375.513 0.891 20 0 GCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109726484 1202110090 /nfs/dbraw/zinc/11/00/90/1202110090.db2.gz YHIZSJWPHHWCEM-AABGKKOBSA-N 2 1 375.513 0.891 20 0 GCADMP C[NH+](CCc1ccccc1)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109726484 1202110094 /nfs/dbraw/zinc/11/00/94/1202110094.db2.gz YHIZSJWPHHWCEM-AABGKKOBSA-N 2 1 375.513 0.891 20 0 GCADMP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001109732896 1202114731 /nfs/dbraw/zinc/11/47/31/1202114731.db2.gz ATOLOSRFXULPOW-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCC1)[NH+]1CCCC1 ZINC001109732896 1202114732 /nfs/dbraw/zinc/11/47/32/1202114732.db2.gz ATOLOSRFXULPOW-BDXSIMOUSA-N 2 1 378.517 0.441 20 0 GCADMP C[C@H](COCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCn1cncn1)[NH+]1CCCC1 ZINC001109735408 1202115410 /nfs/dbraw/zinc/11/54/10/1202115410.db2.gz FRAHMAFFWHDQRD-BDXSIMOUSA-N 2 1 376.505 0.501 20 0 GCADMP Cc1nc(C)n(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)n1 ZINC001109848111 1202135022 /nfs/dbraw/zinc/13/50/22/1202135022.db2.gz XEAQMFGFYFGAJH-SQNIBIBYSA-N 2 1 376.505 0.339 20 0 GCADMP Cc1nc(C)n(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)n1 ZINC001109848111 1202135023 /nfs/dbraw/zinc/13/50/23/1202135023.db2.gz XEAQMFGFYFGAJH-SQNIBIBYSA-N 2 1 376.505 0.339 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868169 1202139875 /nfs/dbraw/zinc/13/98/75/1202139875.db2.gz FDQJXFYLCGDIMF-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCOCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+](CC)CC)C2 ZINC001109868169 1202139876 /nfs/dbraw/zinc/13/98/76/1202139876.db2.gz FDQJXFYLCGDIMF-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCN1CC[C@H]([N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902557 1202146452 /nfs/dbraw/zinc/14/64/52/1202146452.db2.gz PXFTVPYCVYLZMJ-UBDQQSCGSA-N 2 1 378.517 0.440 20 0 GCADMP CCN1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COC2CC[NH+](C)CC2)C3)C1=O ZINC001109902557 1202146454 /nfs/dbraw/zinc/14/64/54/1202146454.db2.gz PXFTVPYCVYLZMJ-UBDQQSCGSA-N 2 1 378.517 0.440 20 0 GCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001109928488 1202152220 /nfs/dbraw/zinc/15/22/20/1202152220.db2.gz YADATCJZJYBCMA-FZKCQIBNSA-N 2 1 381.521 0.672 20 0 GCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001109928488 1202152221 /nfs/dbraw/zinc/15/22/21/1202152221.db2.gz YADATCJZJYBCMA-FZKCQIBNSA-N 2 1 381.521 0.672 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001109928488 1202152222 /nfs/dbraw/zinc/15/22/22/1202152222.db2.gz YADATCJZJYBCMA-FZKCQIBNSA-N 2 1 381.521 0.672 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@@H](C)C(=O)NC(=O)NC(C)C ZINC001109928488 1202152223 /nfs/dbraw/zinc/15/22/23/1202152223.db2.gz YADATCJZJYBCMA-FZKCQIBNSA-N 2 1 381.521 0.672 20 0 GCADMP COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NC[C@H]1COCC[NH2+]1 ZINC001170034269 1202164730 /nfs/dbraw/zinc/16/47/30/1202164730.db2.gz ALUABNCTKOLLIJ-ZBFHGGJFSA-N 2 1 380.489 0.588 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982407 1202168500 /nfs/dbraw/zinc/16/85/00/1202168500.db2.gz BJVXVKHJSBOXPJ-YVSFHVDLSA-N 2 1 378.517 0.345 20 0 GCADMP COCCCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982407 1202168501 /nfs/dbraw/zinc/16/85/01/1202168501.db2.gz BJVXVKHJSBOXPJ-YVSFHVDLSA-N 2 1 378.517 0.345 20 0 GCADMP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005994 1202172548 /nfs/dbraw/zinc/17/25/48/1202172548.db2.gz PKYQAVAHQYFUHJ-WCVJEAGWSA-N 2 1 381.521 0.674 20 0 GCADMP CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110005994 1202172549 /nfs/dbraw/zinc/17/25/49/1202172549.db2.gz PKYQAVAHQYFUHJ-WCVJEAGWSA-N 2 1 381.521 0.674 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000787613627 1205394790 /nfs/dbraw/zinc/39/47/90/1205394790.db2.gz AUOLLPGTNADBRJ-GBESFXJTSA-N 2 1 394.560 0.839 20 0 GCADMP C[N@@H+](CCCNC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688603 1205399111 /nfs/dbraw/zinc/39/91/11/1205399111.db2.gz KAWQQFXJSAHBPC-ROUUACIJSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688603 1205399112 /nfs/dbraw/zinc/39/91/12/1205399112.db2.gz KAWQQFXJSAHBPC-ROUUACIJSA-N 2 1 380.533 0.737 20 0 GCADMP C[NH+](CCCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CCCCC1 ZINC000787688603 1205399113 /nfs/dbraw/zinc/39/91/13/1205399113.db2.gz KAWQQFXJSAHBPC-ROUUACIJSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000787910215 1205407148 /nfs/dbraw/zinc/40/71/48/1205407148.db2.gz KLYOMSARAMLPHZ-ZSYWTGECSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000787910215 1205407150 /nfs/dbraw/zinc/40/71/50/1205407150.db2.gz KLYOMSARAMLPHZ-ZSYWTGECSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000787910215 1205407153 /nfs/dbraw/zinc/40/71/53/1205407153.db2.gz KLYOMSARAMLPHZ-ZSYWTGECSA-N 2 1 394.560 0.840 20 0 GCADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000787901133 1205409228 /nfs/dbraw/zinc/40/92/28/1205409228.db2.gz AINCGAXVCIHBPX-FGTMMUONSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000787901133 1205409230 /nfs/dbraw/zinc/40/92/30/1205409230.db2.gz AINCGAXVCIHBPX-FGTMMUONSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000787901133 1205409232 /nfs/dbraw/zinc/40/92/32/1205409232.db2.gz AINCGAXVCIHBPX-FGTMMUONSA-N 2 1 380.533 0.737 20 0 GCADMP O=C(N[C@H]1CC[N@H+]2CCCC[C@@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273883 1205461712 /nfs/dbraw/zinc/46/17/12/1205461712.db2.gz OLMXRJKVYRQXJR-BZSNNMDCSA-N 2 1 378.517 0.489 20 0 GCADMP COC(=O)CC[N@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCOCC1 ZINC000790363446 1205462683 /nfs/dbraw/zinc/46/26/83/1205462683.db2.gz AVMZZNQWXPHSAH-LJQANCHMSA-N 2 1 381.473 0.905 20 0 GCADMP COC(=O)CC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCOCC1 ZINC000790363446 1205462684 /nfs/dbraw/zinc/46/26/84/1205462684.db2.gz AVMZZNQWXPHSAH-LJQANCHMSA-N 2 1 381.473 0.905 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371031 1205463659 /nfs/dbraw/zinc/46/36/59/1205463659.db2.gz OCOZAMTVGVCROK-QINHECLXSA-N 2 1 394.516 0.724 20 0 GCADMP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000790371031 1205463692 /nfs/dbraw/zinc/46/36/92/1205463692.db2.gz OCOZAMTVGVCROK-QINHECLXSA-N 2 1 394.516 0.724 20 0 GCADMP C[NH+]1CCC2(CC1)NC(=O)N(CN1CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C1)C2=O ZINC000772829448 1205496841 /nfs/dbraw/zinc/49/68/41/1205496841.db2.gz SFESYJLPUWJLHB-DOTOQJQBSA-N 2 1 375.517 0.909 20 0 GCADMP Cc1ccc([C@H](CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)[NH+](C)C)cc1 ZINC000793717049 1205503275 /nfs/dbraw/zinc/50/32/75/1205503275.db2.gz DGGVIOHSIFHRDF-OTWHNJEPSA-N 2 1 388.512 0.693 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000793720786 1205503315 /nfs/dbraw/zinc/50/33/15/1205503315.db2.gz HRJLZRHOYMQAAE-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[N@H+]1CCOC ZINC000793720786 1205503318 /nfs/dbraw/zinc/50/33/18/1205503318.db2.gz HRJLZRHOYMQAAE-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000793696655 1205504048 /nfs/dbraw/zinc/50/40/48/1205504048.db2.gz HFGHNIBOZLCKBA-KRWDZBQOSA-N 2 1 381.565 0.461 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)[NH+]1CCCCC1 ZINC000793696655 1205504049 /nfs/dbraw/zinc/50/40/49/1205504049.db2.gz HFGHNIBOZLCKBA-KRWDZBQOSA-N 2 1 381.565 0.461 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000793805179 1205506315 /nfs/dbraw/zinc/50/63/15/1205506315.db2.gz MULQGOLXYDWMEW-RHSMWYFYSA-N 2 1 384.484 0.991 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000793805179 1205506317 /nfs/dbraw/zinc/50/63/17/1205506317.db2.gz MULQGOLXYDWMEW-RHSMWYFYSA-N 2 1 384.484 0.991 20 0 GCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccco1 ZINC000793850352 1205507925 /nfs/dbraw/zinc/50/79/25/1205507925.db2.gz XEDNRTALYJOPIY-YESZJQIVSA-N 2 1 392.500 0.758 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000793909444 1205509276 /nfs/dbraw/zinc/50/92/76/1205509276.db2.gz GYEBFNJRECSVFJ-ZACQAIPSSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000793909444 1205509277 /nfs/dbraw/zinc/50/92/77/1205509277.db2.gz GYEBFNJRECSVFJ-ZACQAIPSSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000793909444 1205509278 /nfs/dbraw/zinc/50/92/78/1205509278.db2.gz GYEBFNJRECSVFJ-ZACQAIPSSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000793915353 1205509421 /nfs/dbraw/zinc/50/94/21/1205509421.db2.gz XSGIMLPBKYKAKA-RZFLPCETSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000793915353 1205509422 /nfs/dbraw/zinc/50/94/22/1205509422.db2.gz XSGIMLPBKYKAKA-RZFLPCETSA-N 2 1 380.533 0.448 20 0 GCADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000793915353 1205509423 /nfs/dbraw/zinc/50/94/23/1205509423.db2.gz XSGIMLPBKYKAKA-RZFLPCETSA-N 2 1 380.533 0.448 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000804897701 1205527923 /nfs/dbraw/zinc/52/79/23/1205527923.db2.gz VKWSAWLBWNCGGJ-ADKAHSJRSA-N 2 1 380.533 0.737 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000804897157 1205528036 /nfs/dbraw/zinc/52/80/36/1205528036.db2.gz GGJQMIIOPKPKQW-GOSISDBHSA-N 2 1 376.501 0.544 20 0 GCADMP CN(C)c1[nH+]cc(CNC(=O)C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)n1C ZINC000805567482 1205540048 /nfs/dbraw/zinc/54/00/48/1205540048.db2.gz WGFMBDQPGALYBB-UHFFFAOYSA-N 2 1 386.500 0.823 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000805636056 1205541854 /nfs/dbraw/zinc/54/18/54/1205541854.db2.gz JOAXQZDJCRMBFK-KZNAEPCWSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000805636056 1205541855 /nfs/dbraw/zinc/54/18/55/1205541855.db2.gz JOAXQZDJCRMBFK-KZNAEPCWSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000805636056 1205541856 /nfs/dbraw/zinc/54/18/56/1205541856.db2.gz JOAXQZDJCRMBFK-KZNAEPCWSA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000805636055 1205541884 /nfs/dbraw/zinc/54/18/84/1205541884.db2.gz JOAXQZDJCRMBFK-KURKYZTESA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000805636055 1205541885 /nfs/dbraw/zinc/54/18/85/1205541885.db2.gz JOAXQZDJCRMBFK-KURKYZTESA-N 2 1 394.560 0.983 20 0 GCADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000805636055 1205541886 /nfs/dbraw/zinc/54/18/86/1205541886.db2.gz JOAXQZDJCRMBFK-KURKYZTESA-N 2 1 394.560 0.983 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1CNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000806056639 1205548932 /nfs/dbraw/zinc/54/89/32/1205548932.db2.gz AWYYIQKKKMHGRO-DAWZGUTISA-N 2 1 379.549 0.262 20 0 GCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615728 1205556565 /nfs/dbraw/zinc/55/65/65/1205556565.db2.gz ZVDOCMUELOQCTG-UKBAYJJMSA-N 2 1 393.532 0.448 20 0 GCADMP CC(C)OCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cn(C)cn1 ZINC001130615728 1205556566 /nfs/dbraw/zinc/55/65/66/1205556566.db2.gz ZVDOCMUELOQCTG-UKBAYJJMSA-N 2 1 393.532 0.448 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]CC(=O)N(C)C)C2)CC[N@H+]1C ZINC001130994148 1205585109 /nfs/dbraw/zinc/58/51/09/1205585109.db2.gz JGXVSGAQHAYBHI-YLFCFFPRSA-N 2 1 390.532 0.123 20 0 GCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015241 1205587709 /nfs/dbraw/zinc/58/77/09/1205587709.db2.gz SMHNBSDQWAVVBG-YFHUEUNASA-N 2 1 379.505 0.060 20 0 GCADMP COCCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131015241 1205587711 /nfs/dbraw/zinc/58/77/11/1205587711.db2.gz SMHNBSDQWAVVBG-YFHUEUNASA-N 2 1 379.505 0.060 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000807685443 1205588233 /nfs/dbraw/zinc/58/82/33/1205588233.db2.gz PBEIHCRUQDKSJQ-AQEOSJORSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000807685443 1205588235 /nfs/dbraw/zinc/58/82/35/1205588235.db2.gz PBEIHCRUQDKSJQ-AQEOSJORSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@H+](C)CCO1 ZINC000807685448 1205588306 /nfs/dbraw/zinc/58/83/06/1205588306.db2.gz PBEIHCRUQDKSJQ-FCCDEINASA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@@H+](C)CCO1 ZINC000807685448 1205588307 /nfs/dbraw/zinc/58/83/07/1205588307.db2.gz PBEIHCRUQDKSJQ-FCCDEINASA-N 2 1 380.533 0.735 20 0 GCADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001170551361 1205607100 /nfs/dbraw/zinc/60/71/00/1205607100.db2.gz JUWZXFCPRGCWAI-IAGOWNOFSA-N 2 1 381.517 0.831 20 0 GCADMP COC(=O)[C@@H]1CC[C@@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001170551361 1205607102 /nfs/dbraw/zinc/60/71/02/1205607102.db2.gz JUWZXFCPRGCWAI-IAGOWNOFSA-N 2 1 381.517 0.831 20 0 GCADMP C[N@H+]1CC[C@@H]2CN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)C[C@@H]2C1 ZINC000812340353 1205664193 /nfs/dbraw/zinc/66/41/93/1205664193.db2.gz FVKOXVAWWJGKBO-MSOLQXFVSA-N 2 1 385.512 0.921 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+]([C@H]3CCN(C4CC4)C(=O)C3)CC2)C1 ZINC001172014846 1205711046 /nfs/dbraw/zinc/71/10/46/1205711046.db2.gz OEEMCXKHBRTNIM-SFHVURJKSA-N 2 1 392.544 0.642 20 0 GCADMP CN1[C@H]2COC[C@@H]1CC([N@H+]1CCc3onc(C(=O)NCC[NH+](C)C)c3C1)C2 ZINC001172137641 1205712880 /nfs/dbraw/zinc/71/28/80/1205712880.db2.gz XGXULXNJYXOUGG-GOOCMWNKSA-N 2 1 377.489 0.186 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176922 1205714153 /nfs/dbraw/zinc/71/41/53/1205714153.db2.gz ZHJOMAMJNFVYDE-XMTFNYHQSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176922 1205714154 /nfs/dbraw/zinc/71/41/54/1205714154.db2.gz ZHJOMAMJNFVYDE-XMTFNYHQSA-N 2 1 378.517 0.251 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCN4C(=O)CC[C@@H]4C3)CC[C@@H]2C1 ZINC001172176922 1205714155 /nfs/dbraw/zinc/71/41/55/1205714155.db2.gz ZHJOMAMJNFVYDE-XMTFNYHQSA-N 2 1 378.517 0.251 20 0 GCADMP COC(=O)[C@H]1C[C@@H]([NH+]2CCN(CC[NH3+])CC2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172272708 1205714900 /nfs/dbraw/zinc/71/49/00/1205714900.db2.gz PVQNPBLGPZYJJQ-CEXWTWQISA-N 2 1 389.496 0.874 20 0 GCADMP COc1ccc(C(=O)N2CCC([NH2+]CCC[NH+](CCO)CCO)CC2)cc1 ZINC001173398147 1205720388 /nfs/dbraw/zinc/72/03/88/1205720388.db2.gz GICPLKUIFAWYSP-UHFFFAOYSA-N 2 1 379.501 0.566 20 0 GCADMP COC(=O)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)CCN1C(=O)c1ccccc1 ZINC001173493753 1205722609 /nfs/dbraw/zinc/72/26/09/1205722609.db2.gz AEIYAAJFOXIPOB-OALUTQOASA-N 2 1 389.496 0.879 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCO[C@@H]2C[NH+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755732 1205727763 /nfs/dbraw/zinc/72/77/63/1205727763.db2.gz WBDPUFVNZGNYHJ-XMTFNYHQSA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755732 1205727764 /nfs/dbraw/zinc/72/77/64/1205727764.db2.gz WBDPUFVNZGNYHJ-XMTFNYHQSA-N 2 1 391.520 0.268 20 0 GCADMP CN(C)C(=O)C[NH+]1CCO[C@@H]2C[N@H+]([C@H]3CCC[C@@H](n4ncnn4)C3)CC[C@@H]2C1 ZINC001173755732 1205727765 /nfs/dbraw/zinc/72/77/65/1205727765.db2.gz WBDPUFVNZGNYHJ-XMTFNYHQSA-N 2 1 391.520 0.268 20 0 GCADMP CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC001178693308 1205792353 /nfs/dbraw/zinc/79/23/53/1205792353.db2.gz ZGMZNFAMUXMFRW-KRWDZBQOSA-N 2 1 379.549 0.168 20 0 GCADMP Cn1nnc2c1CCN(C(=O)[C@H]1CCCC[N@H+]1C)[C@H]2COCC[NH+]1CCCC1 ZINC001178691656 1205792380 /nfs/dbraw/zinc/79/23/80/1205792380.db2.gz GJZFIXBVWLJXKU-MSOLQXFVSA-N 2 1 390.532 0.838 20 0 GCADMP C[NH+]1CCN(CC(=O)N(c2nc(N3CCCC3)nc3c2C[NH2+]CC3)C2CC2)CC1 ZINC001178948381 1205797499 /nfs/dbraw/zinc/79/74/99/1205797499.db2.gz JJLRDZMQCFVBOO-UHFFFAOYSA-N 2 1 399.543 0.465 20 0 GCADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@@H+]3C2)CC1 ZINC001178952984 1205797636 /nfs/dbraw/zinc/79/76/36/1205797636.db2.gz XCBCRDQRSSGSDP-SJORKVTESA-N 2 1 395.548 0.291 20 0 GCADMP C[NH+]1CCN(CC(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[N@H+]3C2)CC1 ZINC001178952984 1205797637 /nfs/dbraw/zinc/79/76/37/1205797637.db2.gz XCBCRDQRSSGSDP-SJORKVTESA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)O1 ZINC001178997521 1205799006 /nfs/dbraw/zinc/79/90/06/1205799006.db2.gz WMXJALJXCWEFOQ-FTEYMNFISA-N 2 1 377.485 0.728 20 0 GCADMP CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)O1 ZINC001178997521 1205799007 /nfs/dbraw/zinc/79/90/07/1205799007.db2.gz WMXJALJXCWEFOQ-FTEYMNFISA-N 2 1 377.485 0.728 20 0 GCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)O1 ZINC001178997524 1205799228 /nfs/dbraw/zinc/79/92/28/1205799228.db2.gz WMXJALJXCWEFOQ-XSYGEPLQSA-N 2 1 377.485 0.728 20 0 GCADMP CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)O1 ZINC001178997524 1205799229 /nfs/dbraw/zinc/79/92/29/1205799229.db2.gz WMXJALJXCWEFOQ-XSYGEPLQSA-N 2 1 377.485 0.728 20 0 GCADMP CC(=O)N1CCC([NH+]2CCC(C(=O)N3CC([N@H+](C)[C@H]4CCOC4)C3)CC2)CC1 ZINC001179012510 1205799671 /nfs/dbraw/zinc/79/96/71/1205799671.db2.gz MOAGNRILRRZMOE-IBGZPJMESA-N 2 1 392.544 0.641 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NC1(CO)CC[NH+](C)CC1 ZINC001180410108 1205825036 /nfs/dbraw/zinc/82/50/36/1205825036.db2.gz PSXUIWOYYXFCCR-ZWKOTPCHSA-N 2 1 389.496 0.481 20 0 GCADMP CCOC(=O)CN(CC[NH3+])C(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)OC ZINC001180411283 1205825044 /nfs/dbraw/zinc/82/50/44/1205825044.db2.gz XUNQFGDCYAANAI-DLBZAZTESA-N 2 1 391.468 0.258 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC34CCC[NH+]3CCC4)C2)C1 ZINC001181107546 1205838422 /nfs/dbraw/zinc/83/84/22/1205838422.db2.gz ZOSHXIGVOQXFLR-HXUWFJFHSA-N 2 1 392.544 0.692 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC34CCC[NH+]3CCC4)C2)C1 ZINC001181107546 1205838423 /nfs/dbraw/zinc/83/84/23/1205838423.db2.gz ZOSHXIGVOQXFLR-HXUWFJFHSA-N 2 1 392.544 0.692 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)C34CC[NH+](CC3)CC4)C2)C1 ZINC001181549540 1205846257 /nfs/dbraw/zinc/84/62/57/1205846257.db2.gz QFAKZYXQEHXOGT-IBGZPJMESA-N 2 1 378.517 0.159 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)C34CC[NH+](CC3)CC4)C2)C1 ZINC001181549540 1205846259 /nfs/dbraw/zinc/84/62/59/1205846259.db2.gz QFAKZYXQEHXOGT-IBGZPJMESA-N 2 1 378.517 0.159 20 0 GCADMP CC(C)[N@H+]1CC[C@H](C(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)C1 ZINC001181983015 1205852725 /nfs/dbraw/zinc/85/27/25/1205852725.db2.gz MJBNOIKALYIXFN-HNNXBMFYSA-N 2 1 380.514 0.663 20 0 GCADMP Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182342189 1205865732 /nfs/dbraw/zinc/86/57/32/1205865732.db2.gz DAHJXTWDBCHMPG-KRWDZBQOSA-N 2 1 378.477 0.872 20 0 GCADMP CC(C)[N@@H+]1CC[C@H]1C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001182838353 1205881530 /nfs/dbraw/zinc/88/15/30/1205881530.db2.gz OZVDBFCGYKBNSY-ROUUACIJSA-N 2 1 390.532 0.836 20 0 GCADMP CC(C)[N@H+]1CC[C@H]1C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001182838353 1205881533 /nfs/dbraw/zinc/88/15/33/1205881533.db2.gz OZVDBFCGYKBNSY-ROUUACIJSA-N 2 1 390.532 0.836 20 0 GCADMP C[N@H+](CC(=O)n1cnc(C[NH3+])cc1=N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814949 1205900585 /nfs/dbraw/zinc/90/05/85/1205900585.db2.gz KZTSMUAEHPXUAY-AWEZNQCLSA-N 2 1 378.477 0.793 20 0 GCADMP C[N@@H+](CC(=O)n1cnc(C[NH3+])cc1=N)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183814949 1205900586 /nfs/dbraw/zinc/90/05/86/1205900586.db2.gz KZTSMUAEHPXUAY-AWEZNQCLSA-N 2 1 378.477 0.793 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)N1CC[NH+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251364 1205919290 /nfs/dbraw/zinc/91/92/90/1205919290.db2.gz NPBQANYWOZKJHB-QRQLOZEOSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251364 1205919291 /nfs/dbraw/zinc/91/92/91/1205919291.db2.gz NPBQANYWOZKJHB-QRQLOZEOSA-N 2 1 376.476 0.735 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001185251364 1205919293 /nfs/dbraw/zinc/91/92/93/1205919293.db2.gz NPBQANYWOZKJHB-QRQLOZEOSA-N 2 1 376.476 0.735 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@@H+](C)CCN2C)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252700 1205919648 /nfs/dbraw/zinc/91/96/48/1205919648.db2.gz TZHSUKJTIHQMJE-UWVAXJGDSA-N 2 1 388.516 0.275 20 0 GCADMP Cc1ccc(N(C(=O)[C@@H]2C[N@H+](C)CCN2C)[C@H]2CO[C@]3(C2)CCC[NH2+]C3)nn1 ZINC001185252700 1205919649 /nfs/dbraw/zinc/91/96/49/1205919649.db2.gz TZHSUKJTIHQMJE-UWVAXJGDSA-N 2 1 388.516 0.275 20 0 GCADMP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[N@@H+](C)CCN2C)cc1 ZINC001185254746 1205919977 /nfs/dbraw/zinc/91/99/77/1205919977.db2.gz GSTTXNJYLKPTBH-GOSISDBHSA-N 2 1 375.517 0.943 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@@H+]1CC[C@H](O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044731 1205933897 /nfs/dbraw/zinc/93/38/97/1205933897.db2.gz JMTVREMTUQMLAA-SJORKVTESA-N 2 1 398.548 0.843 20 0 GCADMP C[NH+](C)CCN(C(=O)C[N@H+]1CC[C@H](O)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001186044731 1205933898 /nfs/dbraw/zinc/93/38/98/1205933898.db2.gz JMTVREMTUQMLAA-SJORKVTESA-N 2 1 398.548 0.843 20 0 GCADMP Cc1nc(Nc2cnn(CCC[NH+](C)C)c2)cc(N2CC[NH+](CCO)CC2)n1 ZINC001186943133 1205951371 /nfs/dbraw/zinc/95/13/71/1205951371.db2.gz UPRNTNGNRXSACX-UHFFFAOYSA-N 2 1 388.520 0.791 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCCC1 ZINC000775220896 1205995385 /nfs/dbraw/zinc/99/53/85/1205995385.db2.gz CTDVBNCIFZHCPU-SJORKVTESA-N 2 1 380.533 0.737 20 0 GCADMP CC(C)[N@H+](C)Cc1nn(-c2cc(N3CCC[C@@H]3C(N)=O)ncn2)c2c1CC[NH2+]C2 ZINC001164680147 719648395 /nfs/dbraw/zinc/64/83/95/719648395.db2.gz QAMOXXYFUFWNRV-MRXNPFEDSA-N 2 1 398.515 0.602 20 0 GCADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(N3CCC[C@@H]3C(N)=O)ncn2)c2c1CC[NH2+]C2 ZINC001164680147 719648403 /nfs/dbraw/zinc/64/84/03/719648403.db2.gz QAMOXXYFUFWNRV-MRXNPFEDSA-N 2 1 398.515 0.602 20 0 GCADMP C[NH+]1CCN(c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)CC1 ZINC001164743680 720622588 /nfs/dbraw/zinc/62/25/88/720622588.db2.gz PZMVCYGWFMOIKX-SJORKVTESA-N 2 1 396.499 0.360 20 0 GCADMP C[NH+]1CCN(c2cccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164740370 720725556 /nfs/dbraw/zinc/72/55/56/720725556.db2.gz KJSJGPCVSVLVND-MSOLQXFVSA-N 2 1 395.511 0.965 20 0 GCADMP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)ncc1N1CC[NH2+]CC1 ZINC001164737770 720739380 /nfs/dbraw/zinc/73/93/80/720739380.db2.gz CQNKYZCTCRIWHV-QZTJIDSGSA-N 2 1 381.484 0.623 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164746651 720788021 /nfs/dbraw/zinc/78/80/21/720788021.db2.gz MGAPQWVKNYBJLM-DLBZAZTESA-N 2 1 396.499 0.360 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)CC1 ZINC001164746651 720788032 /nfs/dbraw/zinc/78/80/32/720788032.db2.gz MGAPQWVKNYBJLM-DLBZAZTESA-N 2 1 396.499 0.360 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164746652 720788712 /nfs/dbraw/zinc/78/87/12/720788712.db2.gz MGAPQWVKNYBJLM-IAGOWNOFSA-N 2 1 396.499 0.360 20 0 GCADMP C[NH+]1CCN(c2nccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)CC1 ZINC001164746652 720788728 /nfs/dbraw/zinc/78/87/28/720788728.db2.gz MGAPQWVKNYBJLM-IAGOWNOFSA-N 2 1 396.499 0.360 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3ccc(N4CC[NH+](C)CC4)nn3)CC[C@@H]2C1 ZINC001164851883 720836181 /nfs/dbraw/zinc/83/61/81/720836181.db2.gz IOCRJQGKYPPWEW-QZTJIDSGSA-N 2 1 390.532 0.402 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2CN(c3cncc(N4CC[NH2+]CC4)n3)CC[C@H]2C1 ZINC001164855989 720858779 /nfs/dbraw/zinc/85/87/79/720858779.db2.gz NGLJLJLKXYCJOB-DLBZAZTESA-N 2 1 376.505 0.060 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(N3CCCC3)cc[nH+]1)CC2 ZINC001164754636 720944314 /nfs/dbraw/zinc/94/43/14/720944314.db2.gz WMRKSNKCCZXWSG-UHFFFAOYSA-N 2 1 385.472 0.919 20 0 GCADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(N5CC[NH2+]CC5)nn4)CC[N@H+]3C2)c1 ZINC001164866030 721061626 /nfs/dbraw/zinc/06/16/26/721061626.db2.gz BTIRVDXVJCWRKN-RBUKOAKNSA-N 2 1 395.511 0.761 20 0 GCADMP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@H]3C2)cn1 ZINC001164762506 721223984 /nfs/dbraw/zinc/22/39/84/721223984.db2.gz CNBVPRSTNZURKX-RBUKOAKNSA-N 2 1 396.543 0.920 20 0 GCADMP Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccnc(N5CC[NH+](C)CC5)n4)C[C@H]3C2)cn1 ZINC001164762506 721223993 /nfs/dbraw/zinc/22/39/93/721223993.db2.gz CNBVPRSTNZURKX-RBUKOAKNSA-N 2 1 396.543 0.920 20 0 GCADMP C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C5C[NH2+]C5)ncn4)C3)O2)CC1 ZINC001164884298 721453151 /nfs/dbraw/zinc/45/31/51/721453151.db2.gz AOZFGKDUFGOFFL-WIYYLYMNSA-N 2 1 386.544 0.929 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2CC[NH2+]CC4)CC3)CC1 ZINC001164997052 722228960 /nfs/dbraw/zinc/22/89/60/722228960.db2.gz MYKCMQICALFOQU-UHFFFAOYSA-N 2 1 394.527 0.312 20 0 GCADMP C[NH+]1CCN(c2ncnc3c2CCN(c2ncnc4c2CC[NH2+]C4)CC3)CC1 ZINC001164996481 722231237 /nfs/dbraw/zinc/23/12/37/722231237.db2.gz IAEDICLUGJMWHB-UHFFFAOYSA-N 2 1 380.500 0.269 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001571259655 945393867 /nfs/dbraw/zinc/39/38/67/945393867.db2.gz ISPBTCGUZNXAFO-CQSZACIVSA-N 2 1 385.447 0.792 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1)C12CC[NH+](CC1)C2 ZINC001571259655 945393876 /nfs/dbraw/zinc/39/38/76/945393876.db2.gz ISPBTCGUZNXAFO-CQSZACIVSA-N 2 1 385.447 0.792 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260615 945420635 /nfs/dbraw/zinc/42/06/35/945420635.db2.gz XMPKYRAXAPOQPF-IAOMBJDPSA-N 2 1 385.447 0.504 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260615 945420639 /nfs/dbraw/zinc/42/06/39/945420639.db2.gz XMPKYRAXAPOQPF-IAOMBJDPSA-N 2 1 385.447 0.504 20 0 GCADMP C[NH+]1CC[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](Cc4cc(F)ccc4-c4nn[nH]n4)C[C@H]32)C1 ZINC001571260615 945420645 /nfs/dbraw/zinc/42/06/45/945420645.db2.gz XMPKYRAXAPOQPF-IAOMBJDPSA-N 2 1 385.447 0.504 20 0 GCADMP COc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264497 945486069 /nfs/dbraw/zinc/48/60/69/945486069.db2.gz QECVMIMIPHWCLO-CABCVRRESA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264497 945486075 /nfs/dbraw/zinc/48/60/75/945486075.db2.gz QECVMIMIPHWCLO-CABCVRRESA-N 2 1 385.472 0.518 20 0 GCADMP COc1ccc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1-c1nn[nH]n1 ZINC001571264497 945486083 /nfs/dbraw/zinc/48/60/83/945486083.db2.gz QECVMIMIPHWCLO-CABCVRRESA-N 2 1 385.472 0.518 20 0 GCADMP C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)C1 ZINC001571264725 945490827 /nfs/dbraw/zinc/49/08/27/945490827.db2.gz VCUGJNFLBXBTLP-IRXDYDNUSA-N 2 1 385.472 0.135 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571264729 945491334 /nfs/dbraw/zinc/49/13/34/945491334.db2.gz VIYVIEJEHPVMKE-IAGOWNOFSA-N 2 1 385.472 0.278 20 0 GCADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000821627018 945755396 /nfs/dbraw/zinc/75/53/96/945755396.db2.gz JMCMJMMRIGQOEC-KRWDZBQOSA-N 2 1 389.504 0.176 20 0 GCADMP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000823697001 946468466 /nfs/dbraw/zinc/46/84/66/946468466.db2.gz HYAISSCXMKYQLV-QGZVFWFLSA-N 2 1 381.440 0.824 20 0 GCADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575263830 949410098 /nfs/dbraw/zinc/41/00/98/949410098.db2.gz JZJBXQNYNVMVDY-STQMWFEESA-N 2 1 387.463 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711654 949547419 /nfs/dbraw/zinc/54/74/19/949547419.db2.gz JXEBQUXRJFDJFT-TZMCWYRMSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574711652 949547731 /nfs/dbraw/zinc/54/77/31/949547731.db2.gz JXEBQUXRJFDJFT-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872601 949552072 /nfs/dbraw/zinc/55/20/72/949552072.db2.gz KGGXCSSTXZJWEV-DZGCQCFKSA-N 2 1 382.472 0.831 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574711825 949557839 /nfs/dbraw/zinc/55/78/39/949557839.db2.gz MRENOUYMJBLSBO-QWHCGFSZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574957436 949615456 /nfs/dbraw/zinc/61/54/56/949615456.db2.gz XXWPCQAYBAQXOL-YRGRVCCFSA-N 2 1 375.452 0.940 20 0 GCADMP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714056 949617478 /nfs/dbraw/zinc/61/74/78/949617478.db2.gz ZXZLGJLSOWKVJO-JSGCOSHPSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574714057 949619661 /nfs/dbraw/zinc/61/96/61/949619661.db2.gz ZXZLGJLSOWKVJO-OCCSQVGLSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001576194235 950332570 /nfs/dbraw/zinc/33/25/70/950332570.db2.gz YAKILJGJCBAQFR-PBHICJAKSA-N 2 1 387.488 0.117 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576197396 950393878 /nfs/dbraw/zinc/39/38/78/950393878.db2.gz MVODMEDJMXZGPE-LSDHHAIUSA-N 2 1 384.488 0.676 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)C1 ZINC001576202884 950438360 /nfs/dbraw/zinc/43/83/60/950438360.db2.gz DPEKOCSPTPHYKX-RRFJBIMHSA-N 2 1 384.488 0.532 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@](C)(CNc2cc[nH+]cc2-c2nn[nH]n2)C2CC2)C1 ZINC001576205171 950496561 /nfs/dbraw/zinc/49/65/61/950496561.db2.gz VWFHYVIAKZEALZ-DJJJIMSYSA-N 2 1 384.488 0.722 20 0 GCADMP C[C@H]1CC[N@H+](CC(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576206118 950560732 /nfs/dbraw/zinc/56/07/32/950560732.db2.gz UWNBIWMYNCXQIR-ZDUSSCGKSA-N 2 1 387.463 0.896 20 0 GCADMP C[C@H]1CC[N@@H+](CC(=O)NCC2C[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576206118 950560752 /nfs/dbraw/zinc/56/07/52/950560752.db2.gz UWNBIWMYNCXQIR-ZDUSSCGKSA-N 2 1 387.463 0.896 20 0 GCADMP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576208355 950611416 /nfs/dbraw/zinc/61/14/16/950611416.db2.gz OHYQMNWNTQUHDC-OLZOCXBDSA-N 2 1 375.452 0.942 20 0 GCADMP CC(C)[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576209212 950621838 /nfs/dbraw/zinc/62/18/38/950621838.db2.gz YUIAUTPKMCRHIP-GOEBONIOSA-N 2 1 386.504 0.968 20 0 GCADMP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574771299 950909076 /nfs/dbraw/zinc/90/90/76/950909076.db2.gz AGGITOWUQUXXLP-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001574771299 950909085 /nfs/dbraw/zinc/90/90/85/950909085.db2.gz AGGITOWUQUXXLP-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001574771299 950909101 /nfs/dbraw/zinc/90/91/01/950909101.db2.gz AGGITOWUQUXXLP-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001574771299 950909120 /nfs/dbraw/zinc/90/91/20/950909120.db2.gz AGGITOWUQUXXLP-GXTWGEPZSA-N 2 1 375.452 0.894 20 0 GCADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079482 951692329 /nfs/dbraw/zinc/69/23/29/951692329.db2.gz PZADLYAMZKXDJZ-LRDDRELGSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079510 951692864 /nfs/dbraw/zinc/69/28/64/951692864.db2.gz QFASXWDKGGXUOA-BLLLJJGKSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575079510 951692870 /nfs/dbraw/zinc/69/28/70/951692870.db2.gz QFASXWDKGGXUOA-BLLLJJGKSA-N 2 1 391.451 0.178 20 0 GCADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101258 951856614 /nfs/dbraw/zinc/85/66/14/951856614.db2.gz BHSYNBJYKQXMAJ-BLLLJJGKSA-N 2 1 375.452 0.942 20 0 GCADMP C[C@H](CNC(=O)CC[NH+]1CCOCC1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114735 951958373 /nfs/dbraw/zinc/95/83/73/951958373.db2.gz RPKKSMYSUIBIDI-HNNXBMFYSA-N 2 1 387.488 0.431 20 0 GCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142818 952646810 /nfs/dbraw/zinc/64/68/10/952646810.db2.gz ZXSVJZUMIVDHCD-VQFNDLOPSA-N 2 1 378.440 0.618 20 0 GCADMP Cc1[nH+]ccn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001571142818 952646813 /nfs/dbraw/zinc/64/68/13/952646813.db2.gz ZXSVJZUMIVDHCD-VQFNDLOPSA-N 2 1 378.440 0.618 20 0 GCADMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2CN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001571212297 953086599 /nfs/dbraw/zinc/08/65/99/953086599.db2.gz KZUQHMYZLIOIBW-HDEZJCGLSA-N 2 1 382.472 0.685 20 0 GCADMP O=C(N[C@H]1C[C@@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001571219084 953122665 /nfs/dbraw/zinc/12/26/65/953122665.db2.gz UVRQSYXMSWYPHL-OEUWWYETSA-N 2 1 382.472 0.760 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)CC[N@H+]1C ZINC001571252305 953326288 /nfs/dbraw/zinc/32/62/88/953326288.db2.gz KHNIIUVKBWGCHJ-JKIFEVAISA-N 2 1 384.488 0.817 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CCNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571252525 953329868 /nfs/dbraw/zinc/32/98/68/953329868.db2.gz OLWJGPQTTUPJKB-RBSFLKMASA-N 2 1 384.488 0.674 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)CC[N@H+]1C ZINC001571252533 953330260 /nfs/dbraw/zinc/33/02/60/953330260.db2.gz OYDJWVTVLSRBDP-RBSFLKMASA-N 2 1 384.488 0.674 20 0 GCADMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252706 953331823 /nfs/dbraw/zinc/33/18/23/953331823.db2.gz URFGFTGZKGCJRJ-HUUCEWRRSA-N 2 1 384.488 0.818 20 0 GCADMP Cc1cc(NC2CC(N(C)C(=O)[C@@H]3CCCC[N@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252744 953332638 /nfs/dbraw/zinc/33/26/38/953332638.db2.gz VPLINCAGYFJCPW-KVULBXGLSA-N 2 1 384.488 0.878 20 0 GCADMP Cc1cc(N[C@@H]2CC[C@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571252859 953332881 /nfs/dbraw/zinc/33/28/81/953332881.db2.gz XIAPWDRWKWPKJH-VBQJREDUSA-N 2 1 384.488 0.783 20 0 GCADMP C[NH+]1CCN([C@H](C[NH2+]CC2(O)CCS(=O)(=O)CC2)c2cccs2)CC1 ZINC000556770751 530187441 /nfs/dbraw/zinc/18/74/41/530187441.db2.gz WGWFDQMIDTTXBS-OAHLLOKOSA-N 2 1 387.571 0.566 20 0 GCADMP CC(C)NS(=O)(=O)N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000331314575 530545164 /nfs/dbraw/zinc/54/51/64/530545164.db2.gz IQXMDIJRVTZXFG-UHFFFAOYSA-N 2 1 375.583 0.263 20 0 GCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000641803227 530786487 /nfs/dbraw/zinc/78/64/87/530786487.db2.gz BRZARJUCDLIOBP-NWANDNLSSA-N 2 1 385.555 0.979 20 0 GCADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000641803225 530786703 /nfs/dbraw/zinc/78/67/03/530786703.db2.gz BRZARJUCDLIOBP-BPLDGKMQSA-N 2 1 385.555 0.979 20 0 GCADMP C[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000419161672 530955197 /nfs/dbraw/zinc/95/51/97/530955197.db2.gz FAWAQNWKIKUGIM-LBPRGKRZSA-N 2 1 397.317 0.993 20 0 GCADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736854597 599079870 /nfs/dbraw/zinc/07/98/70/599079870.db2.gz DSLAKVTVNFDRLC-GOSISDBHSA-N 2 1 398.515 0.907 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCC(=O)Nc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736854597 599079873 /nfs/dbraw/zinc/07/98/73/599079873.db2.gz DSLAKVTVNFDRLC-GOSISDBHSA-N 2 1 398.515 0.907 20 0 GCADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2sc(N3CCOCC3)nc2Cl)CC1 ZINC000894238712 638685017 /nfs/dbraw/zinc/68/50/17/638685017.db2.gz VLYLBJGLRUPMOQ-UHFFFAOYSA-N 2 1 387.937 0.887 20 0 GCADMP C[NH+](C)CCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000727072323 638732691 /nfs/dbraw/zinc/73/26/91/638732691.db2.gz LWHLVUTWBIKZHW-AWEZNQCLSA-N 2 1 378.608 0.499 20 0 GCADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H](C)C1 ZINC000772946618 640852592 /nfs/dbraw/zinc/85/25/92/640852592.db2.gz ODCKOAUZKHRSPA-IAGOWNOFSA-N 2 1 377.551 0.375 20 0 GCADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@H](C)C1 ZINC000772946618 640852598 /nfs/dbraw/zinc/85/25/98/640852598.db2.gz ODCKOAUZKHRSPA-IAGOWNOFSA-N 2 1 377.551 0.375 20 0 GCADMP CC(C)(O)[C@H]1CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880146302 641628269 /nfs/dbraw/zinc/62/82/69/641628269.db2.gz LFUUQLMYXRSZKH-HOTGVXAUSA-N 2 1 376.563 0.587 20 0 GCADMP CC(C)(O)[C@H]1CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880146302 641628276 /nfs/dbraw/zinc/62/82/76/641628276.db2.gz LFUUQLMYXRSZKH-HOTGVXAUSA-N 2 1 376.563 0.587 20 0 GCADMP CS(C)(=O)=NS(=O)(=O)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925813694 641918814 /nfs/dbraw/zinc/91/88/14/641918814.db2.gz VQUILEUOUWQJCR-GOEBONIOSA-N 2 1 387.527 0.889 20 0 GCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)[C@@H]2C1 ZINC000893494587 1192166737 /nfs/dbraw/zinc/16/67/37/1192166737.db2.gz PMMSPNUJRFPWSY-IAGOWNOFSA-N 2 1 379.549 0.959 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000662972404 1192173921 /nfs/dbraw/zinc/17/39/21/1192173921.db2.gz VZTDVPUDFQBOOT-KNQAVFIVSA-N 2 1 384.524 0.974 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000662974137 1192174781 /nfs/dbraw/zinc/17/47/81/1192174781.db2.gz DGOYPQCGJUCJKF-VAMGGRTRSA-N 2 1 384.524 0.972 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000662974138 1192175092 /nfs/dbraw/zinc/17/50/92/1192175092.db2.gz DGOYPQCGJUCJKF-XUVXKRRUSA-N 2 1 384.524 0.972 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000662987153 1192178534 /nfs/dbraw/zinc/17/85/34/1192178534.db2.gz RCMAJUGXHHOPTA-YRXWBPOGSA-N 2 1 393.576 0.589 20 0 GCADMP [NH3+]Cc1nc(C(=O)N2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cs1 ZINC000663013169 1192184541 /nfs/dbraw/zinc/18/45/41/1192184541.db2.gz ABODBPTUPMNSMC-GFCCVEGCSA-N 2 1 375.502 0.754 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085076 1192208067 /nfs/dbraw/zinc/20/80/67/1192208067.db2.gz KWMSIJFNTZNHDR-YJBOKZPZSA-N 2 1 392.500 0.709 20 0 GCADMP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)ccc1OCC[NH+](C)C ZINC000663085076 1192208070 /nfs/dbraw/zinc/20/80/70/1192208070.db2.gz KWMSIJFNTZNHDR-YJBOKZPZSA-N 2 1 392.500 0.709 20 0 GCADMP O=S(=O)(N1CCOCC1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662252097 1192270925 /nfs/dbraw/zinc/27/09/25/1192270925.db2.gz MBQHTJMJTKASEZ-UHFFFAOYSA-N 2 1 380.514 0.027 20 0 GCADMP O=C(CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)N1CCOCC1 ZINC000662338723 1192285057 /nfs/dbraw/zinc/28/50/57/1192285057.db2.gz UXGUWSXJQWXKQL-INIZCTEOSA-N 2 1 376.505 0.248 20 0 GCADMP CC1(C)NC(=O)N(CC[N@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1=O ZINC000662339023 1192285276 /nfs/dbraw/zinc/28/52/76/1192285276.db2.gz ZMIWFLGDYHKSPE-CQSZACIVSA-N 2 1 389.504 0.329 20 0 GCADMP CN1CC[NH+](Cc2ccc(CNC(=O)c3cnnn3C3CC[NH2+]CC3)cc2)CC1 ZINC000662387273 1192287887 /nfs/dbraw/zinc/28/78/87/1192287887.db2.gz KALSDVLNTCYLFK-UHFFFAOYSA-N 2 1 397.527 0.880 20 0 GCADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000330264521 1192295143 /nfs/dbraw/zinc/29/51/43/1192295143.db2.gz YAZQAHKUUUFFOI-GUDVDZBRSA-N 2 1 392.544 0.642 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000330264521 1192295145 /nfs/dbraw/zinc/29/51/45/1192295145.db2.gz YAZQAHKUUUFFOI-GUDVDZBRSA-N 2 1 392.544 0.642 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662466733 1192300985 /nfs/dbraw/zinc/30/09/85/1192300985.db2.gz XZVULHWOOSTOTP-HOTGVXAUSA-N 2 1 383.500 0.822 20 0 GCADMP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000662678217 1192325935 /nfs/dbraw/zinc/32/59/35/1192325935.db2.gz CRKKGHMQNXKBJU-RHSMWYFYSA-N 2 1 394.447 0.789 20 0 GCADMP O=C(CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000662706578 1192329341 /nfs/dbraw/zinc/32/93/41/1192329341.db2.gz AFYFTHKIGJGHPA-GOSISDBHSA-N 2 1 398.429 0.989 20 0 GCADMP C[NH+](C)CCCC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+](C)C)on1)C2 ZINC001719840290 1192355628 /nfs/dbraw/zinc/35/56/28/1192355628.db2.gz TZGPQYWOAJTVDD-KMFMINBZSA-N 2 1 377.489 0.940 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[C@@H](C)O1 ZINC000663543169 1192381745 /nfs/dbraw/zinc/38/17/45/1192381745.db2.gz IMWCSFBVGRAAAF-HZPDHXFCSA-N 2 1 385.553 0.536 20 0 GCADMP O=C(NCC[N@@H+]1CC[C@@H](O)C1)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000637085211 1192381780 /nfs/dbraw/zinc/38/17/80/1192381780.db2.gz BSNNAOKFRZLQAY-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000637085211 1192381785 /nfs/dbraw/zinc/38/17/85/1192381785.db2.gz BSNNAOKFRZLQAY-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP O=C(NCC[NH+]1CC[C@@H](O)C1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000637085211 1192381792 /nfs/dbraw/zinc/38/17/92/1192381792.db2.gz BSNNAOKFRZLQAY-MOPGFXCFSA-N 2 1 376.501 0.643 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)C[C@H](C)O1 ZINC000663543168 1192382082 /nfs/dbraw/zinc/38/20/82/1192382082.db2.gz IMWCSFBVGRAAAF-HOTGVXAUSA-N 2 1 385.553 0.536 20 0 GCADMP C[N@@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663585036 1192405009 /nfs/dbraw/zinc/40/50/09/1192405009.db2.gz OLTWFADWZLPGQD-GOSISDBHSA-N 2 1 395.529 0.886 20 0 GCADMP C[N@H+]1CCCN(S(=O)(=O)c2cccc(NC(=O)N[C@]3(C)CC[NH2+]C3)c2)CC1 ZINC000663585036 1192405013 /nfs/dbraw/zinc/40/50/13/1192405013.db2.gz OLTWFADWZLPGQD-GOSISDBHSA-N 2 1 395.529 0.886 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663664463 1192465759 /nfs/dbraw/zinc/46/57/59/1192465759.db2.gz NZLBCSYYOZKOKV-SFHVURJKSA-N 2 1 395.548 0.218 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663664463 1192465765 /nfs/dbraw/zinc/46/57/65/1192465765.db2.gz NZLBCSYYOZKOKV-SFHVURJKSA-N 2 1 395.548 0.218 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000981770452 1192473125 /nfs/dbraw/zinc/47/31/25/1192473125.db2.gz ZJHFHQZYDMCQQD-XMTFNYHQSA-N 2 1 392.544 0.735 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2CC[C@H](CNC(=O)C34CCC[NH+]3CCC4)C2)O1 ZINC000981770452 1192473135 /nfs/dbraw/zinc/47/31/35/1192473135.db2.gz ZJHFHQZYDMCQQD-XMTFNYHQSA-N 2 1 392.544 0.735 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463790 1192486842 /nfs/dbraw/zinc/48/68/42/1192486842.db2.gz AMQWYBLDBJPWBP-SVFBPWRDSA-N 2 1 382.593 0.947 20 0 GCADMP CC(C)[NH+]1CCC(N2CCN(C[C@@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000433463790 1192486844 /nfs/dbraw/zinc/48/68/44/1192486844.db2.gz AMQWYBLDBJPWBP-SVFBPWRDSA-N 2 1 382.593 0.947 20 0 GCADMP C[C@@H]1C[N@@H+](CCN(C)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000434187046 1192499810 /nfs/dbraw/zinc/49/98/10/1192499810.db2.gz OWADZQBRSSPHTP-CALCHBBNSA-N 2 1 397.564 0.680 20 0 GCADMP C[C@@H]1C[N@H+](CCN(C)C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000434187046 1192499814 /nfs/dbraw/zinc/49/98/14/1192499814.db2.gz OWADZQBRSSPHTP-CALCHBBNSA-N 2 1 397.564 0.680 20 0 GCADMP NC(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(Cc2cccs2)CC1 ZINC000637376683 1192519735 /nfs/dbraw/zinc/51/97/35/1192519735.db2.gz UIIYNYCWZJFLFR-INIZCTEOSA-N 2 1 379.530 0.915 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)ccc1F ZINC000432534307 1192539014 /nfs/dbraw/zinc/53/90/14/1192539014.db2.gz DLNNWICGQHVEBZ-XJKSGUPXSA-N 2 1 380.420 0.148 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSc1nnnn1C1CC1 ZINC000512332374 1192611089 /nfs/dbraw/zinc/61/10/89/1192611089.db2.gz UZGNFIDWYCOYAX-OAHLLOKOSA-N 2 1 381.550 0.975 20 0 GCADMP CCOCC[NH+]1CCN(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000418614835 1192617363 /nfs/dbraw/zinc/61/73/63/1192617363.db2.gz LANIFNLUROKMLF-CQSZACIVSA-N 2 1 381.443 0.186 20 0 GCADMP COCC1(CNC(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618931 1192619549 /nfs/dbraw/zinc/61/95/49/1192619549.db2.gz BAWMAFRSFYGKET-RBUKOAKNSA-N 2 1 390.528 0.937 20 0 GCADMP COCC1(CNC(=O)NC[C@@H]2C[C@H](O)C[N@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000418618929 1192619713 /nfs/dbraw/zinc/61/97/13/1192619713.db2.gz BAWMAFRSFYGKET-OALUTQOASA-N 2 1 390.528 0.937 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418637487 1192623168 /nfs/dbraw/zinc/62/31/68/1192623168.db2.gz JRUHEMAXTKNLKE-UHFFFAOYSA-N 2 1 397.564 0.588 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418637487 1192623174 /nfs/dbraw/zinc/62/31/74/1192623174.db2.gz JRUHEMAXTKNLKE-UHFFFAOYSA-N 2 1 397.564 0.588 20 0 GCADMP COC[C@]1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CCC[NH2+]1 ZINC000418657597 1192625114 /nfs/dbraw/zinc/62/51/14/1192625114.db2.gz RIEBKKCUQXSRIH-IRFCIJBXSA-N 2 1 390.528 0.937 20 0 GCADMP C[C@H]1CN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)CC[N@H+]1CC(C)(C)O ZINC000418669472 1192628923 /nfs/dbraw/zinc/62/89/23/1192628923.db2.gz PUBJJFUDDWFPKJ-LESCRADOSA-N 2 1 395.548 0.120 20 0 GCADMP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418760243 1192640906 /nfs/dbraw/zinc/64/09/06/1192640906.db2.gz JWWAQSPSVOHEEH-GUDVDZBRSA-N 2 1 375.517 0.072 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418814197 1192653012 /nfs/dbraw/zinc/65/30/12/1192653012.db2.gz ZSARNQKEMWWUBV-UHFFFAOYSA-N 2 1 395.548 0.084 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418829406 1192658850 /nfs/dbraw/zinc/65/88/50/1192658850.db2.gz ITMPZRLNOPFGAH-RCCFBDPRSA-N 2 1 392.544 0.642 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C)[NH+](C)C ZINC000418831501 1192659262 /nfs/dbraw/zinc/65/92/62/1192659262.db2.gz GKXFSTJKDQDFDB-KBMXLJTQSA-N 2 1 392.500 0.643 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+](C)C ZINC000418833852 1192660232 /nfs/dbraw/zinc/66/02/32/1192660232.db2.gz IPVUOWRXBQKEMN-CUSZFKRNSA-N 2 1 388.512 0.918 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418833151 1192660257 /nfs/dbraw/zinc/66/02/57/1192660257.db2.gz KTMDYRJRECAVRK-BZUAXINKSA-N 2 1 378.473 0.497 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000418834621 1192660828 /nfs/dbraw/zinc/66/08/28/1192660828.db2.gz OWQPKLMSJWTPCG-SJORKVTESA-N 2 1 380.533 0.866 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CCCC1 ZINC000418836887 1192661476 /nfs/dbraw/zinc/66/14/76/1192661476.db2.gz RVBILBVERSLVSH-QGZVFWFLSA-N 2 1 380.533 0.771 20 0 GCADMP CCc1nc(C[NH+]2CCC(CNC(=O)C(=O)N[C@@H](C)CC[NH3+])CC2)cs1 ZINC000418853354 1192667082 /nfs/dbraw/zinc/66/70/82/1192667082.db2.gz JLNSSAOALVZMSP-ZDUSSCGKSA-N 2 1 381.546 0.887 20 0 GCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000418857162 1192668805 /nfs/dbraw/zinc/66/88/05/1192668805.db2.gz YMQUVAOYMKFIAP-WMLDXEAASA-N 2 1 396.919 0.944 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000418856960 1192668994 /nfs/dbraw/zinc/66/89/94/1192668994.db2.gz XYJJCLVSMONQDE-WBVHZDCISA-N 2 1 376.501 0.920 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942749 1192696553 /nfs/dbraw/zinc/69/65/53/1192696553.db2.gz AVENVOVWZQVJRG-DZGCQCFKSA-N 2 1 378.473 0.200 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])C2)cc(OC)c1 ZINC000418942749 1192696554 /nfs/dbraw/zinc/69/65/54/1192696554.db2.gz AVENVOVWZQVJRG-DZGCQCFKSA-N 2 1 378.473 0.200 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)Cc1ccccc1 ZINC000418945193 1192697189 /nfs/dbraw/zinc/69/71/89/1192697189.db2.gz PCQAFBUYNOWFQY-SFHVURJKSA-N 2 1 399.499 0.149 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943461 1192697265 /nfs/dbraw/zinc/69/72/65/1192697265.db2.gz BXEHMJHKYPQLBH-MRXNPFEDSA-N 2 1 392.500 0.462 20 0 GCADMP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418943461 1192697267 /nfs/dbraw/zinc/69/72/67/1192697267.db2.gz BXEHMJHKYPQLBH-MRXNPFEDSA-N 2 1 392.500 0.462 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc(OC)c1 ZINC000418957955 1192702056 /nfs/dbraw/zinc/70/20/56/1192702056.db2.gz FKTGIXBUMRTFCN-INIZCTEOSA-N 2 1 390.484 0.216 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCC[NH2+]CC3)C2)cc(OC)c1 ZINC000418957955 1192702061 /nfs/dbraw/zinc/70/20/61/1192702061.db2.gz FKTGIXBUMRTFCN-INIZCTEOSA-N 2 1 390.484 0.216 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960311 1192705567 /nfs/dbraw/zinc/70/55/67/1192705567.db2.gz INBONXWSAFHXBL-GOEBONIOSA-N 2 1 392.500 0.366 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2cc(OC)cc(OC)c2)C1 ZINC000418960311 1192705568 /nfs/dbraw/zinc/70/55/68/1192705568.db2.gz INBONXWSAFHXBL-GOEBONIOSA-N 2 1 392.500 0.366 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000418970563 1192707331 /nfs/dbraw/zinc/70/73/31/1192707331.db2.gz WSFBBTMQOXTIDG-JZGRTCEGSA-N 2 1 388.512 0.856 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc(OC)c1 ZINC000418970550 1192707639 /nfs/dbraw/zinc/70/76/39/1192707639.db2.gz WRVZAFSJAVKXTK-INIZCTEOSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@H+]2CC[C@H](NC(=O)C(=O)N3CCC([NH3+])CC3)C2)cc(OC)c1 ZINC000418970550 1192707641 /nfs/dbraw/zinc/70/76/41/1192707641.db2.gz WRVZAFSJAVKXTK-INIZCTEOSA-N 2 1 390.484 0.344 20 0 GCADMP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968047 1192705718 /nfs/dbraw/zinc/70/57/18/1192705718.db2.gz TWXXTJAAAHNZLK-CRAIPNDOSA-N 2 1 390.484 0.248 20 0 GCADMP COc1cc(C[N@H+]2CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)C2)cc(OC)c1 ZINC000418968047 1192705720 /nfs/dbraw/zinc/70/57/20/1192705720.db2.gz TWXXTJAAAHNZLK-CRAIPNDOSA-N 2 1 390.484 0.248 20 0 GCADMP CO[C@H]1CCN(C(=O)C(=O)NCCC[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419010967 1192716987 /nfs/dbraw/zinc/71/69/87/1192716987.db2.gz ZJAAZQDYWWVIEV-ROUUACIJSA-N 2 1 376.501 0.589 20 0 GCADMP C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)cc2)CC1 ZINC000237081565 1192729457 /nfs/dbraw/zinc/72/94/57/1192729457.db2.gz NNQWPPSKZZDKHT-UHFFFAOYSA-N 2 1 397.483 0.843 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)nc(C)[nH+]1 ZINC000419033475 1192731761 /nfs/dbraw/zinc/73/17/61/1192731761.db2.gz CKPVVUAWVLHPAX-CXAGYDPISA-N 2 1 388.516 0.764 20 0 GCADMP CCOCCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H]2[NH2+]C(C)(C)O[C@H]2C)[C@@H](C)C1 ZINC000419044185 1192738314 /nfs/dbraw/zinc/73/83/14/1192738314.db2.gz SOJFLIADKWCUIQ-QAETUUGQSA-N 2 1 398.548 0.469 20 0 GCADMP CCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000419043537 1192741477 /nfs/dbraw/zinc/74/14/77/1192741477.db2.gz RMRDZLKHUISKRG-KZNAEPCWSA-N 2 1 382.549 0.840 20 0 GCADMP CCCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000419043538 1192741574 /nfs/dbraw/zinc/74/15/74/1192741574.db2.gz RMRDZLKHUISKRG-OKZBNKHCSA-N 2 1 382.549 0.840 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)CC2)nc(C)[nH+]1 ZINC000419045585 1192742066 /nfs/dbraw/zinc/74/20/66/1192742066.db2.gz WOVQPRNEVCOKMY-XJKSGUPXSA-N 2 1 388.516 0.622 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419050602 1192749267 /nfs/dbraw/zinc/74/92/67/1192749267.db2.gz ABKOAAMXICLCIT-CEXWTWQISA-N 2 1 388.512 0.508 20 0 GCADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419061872 1192754957 /nfs/dbraw/zinc/75/49/57/1192754957.db2.gz VKTUNRIZWMKFAR-QZTJIDSGSA-N 2 1 388.512 0.637 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)[C@H](C)C[NH2+]1 ZINC000419067154 1192762722 /nfs/dbraw/zinc/76/27/22/1192762722.db2.gz FWVCCCAMQDLWAZ-ZACQAIPSSA-N 2 1 388.512 0.732 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)[C@H](C)C[NH2+]1 ZINC000419067154 1192762725 /nfs/dbraw/zinc/76/27/25/1192762725.db2.gz FWVCCCAMQDLWAZ-ZACQAIPSSA-N 2 1 388.512 0.732 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000419079998 1192774589 /nfs/dbraw/zinc/77/45/89/1192774589.db2.gz WDNJQNDOACQJLO-UHFFFAOYSA-N 2 1 395.935 0.694 20 0 GCADMP C[C@@H]1CN(CCN(C)C(=O)C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000410631833 1192774859 /nfs/dbraw/zinc/77/48/59/1192774859.db2.gz OHFOVTKDEVQEAK-ZIFCJYIRSA-N 2 1 394.560 0.744 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079078 1192776429 /nfs/dbraw/zinc/77/64/29/1192776429.db2.gz UJGSJRJBHVDMLR-HRAATJIYSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079078 1192776433 /nfs/dbraw/zinc/77/64/33/1192776433.db2.gz UJGSJRJBHVDMLR-HRAATJIYSA-N 2 1 388.512 0.721 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079084 1192776692 /nfs/dbraw/zinc/77/66/92/1192776692.db2.gz UJGSJRJBHVDMLR-KKSFZXQISA-N 2 1 388.512 0.721 20 0 GCADMP C[C@H]1C[N@@H+](Cc2cccc(CNC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)c2)CCO1 ZINC000419079084 1192776698 /nfs/dbraw/zinc/77/66/98/1192776698.db2.gz UJGSJRJBHVDMLR-KKSFZXQISA-N 2 1 388.512 0.721 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419089473 1192780769 /nfs/dbraw/zinc/78/07/69/1192780769.db2.gz SWZOBVNIQPCMMU-HZPDHXFCSA-N 2 1 382.549 0.839 20 0 GCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100304 1192785983 /nfs/dbraw/zinc/78/59/83/1192785983.db2.gz PSSYUZBMNQLSCT-HUUCEWRRSA-N 2 1 384.402 0.956 20 0 GCADMP [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000419100304 1192785987 /nfs/dbraw/zinc/78/59/87/1192785987.db2.gz PSSYUZBMNQLSCT-HUUCEWRRSA-N 2 1 384.402 0.956 20 0 GCADMP CCC(CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCOCC1 ZINC000419121016 1192794216 /nfs/dbraw/zinc/79/42/16/1192794216.db2.gz RDEKRKCAFJPOBH-NXHRZFHOSA-N 2 1 382.549 0.825 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419121696 1192794850 /nfs/dbraw/zinc/79/48/50/1192794850.db2.gz SHMMMDPVSWVUPE-SJLPKXTDSA-N 2 1 382.549 0.746 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCN(C)CC1 ZINC000419127669 1192797778 /nfs/dbraw/zinc/79/77/78/1192797778.db2.gz RWDDQICCXOGQLZ-MSOLQXFVSA-N 2 1 381.565 0.398 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C[N@@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000419114721 1192801153 /nfs/dbraw/zinc/80/11/53/1192801153.db2.gz SIGUHFKXZVTEDG-CGTJXYLNSA-N 2 1 376.501 0.588 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000419118561 1192801683 /nfs/dbraw/zinc/80/16/83/1192801683.db2.gz NZMUIQNXBMTCNX-YLJYHZDGSA-N 2 1 382.549 0.746 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCOCC1 ZINC000419118858 1192803358 /nfs/dbraw/zinc/80/33/58/1192803358.db2.gz OEVSFRPBPQODCE-QZTJIDSGSA-N 2 1 382.549 0.873 20 0 GCADMP C[C@@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132080 1192806252 /nfs/dbraw/zinc/80/62/52/1192806252.db2.gz AUTIEKPNBYHNJJ-NQIIRXRSSA-N 2 1 388.512 0.591 20 0 GCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419132078 1192806402 /nfs/dbraw/zinc/80/64/02/1192806402.db2.gz AUTIEKPNBYHNJJ-GHTZIAJQSA-N 2 1 388.512 0.591 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419150666 1192810395 /nfs/dbraw/zinc/81/03/95/1192810395.db2.gz MTWAZRBOLBYXST-OAGGEKHMSA-N 2 1 376.526 0.754 20 0 GCADMP O=C1[C@@H]([NH2+]CCCCN2CC[NH+](CCO)CC2)CCN1c1ccc(F)cc1 ZINC000419141038 1192812622 /nfs/dbraw/zinc/81/26/22/1192812622.db2.gz KGJUTQHOTFYLIP-IBGZPJMESA-N 2 1 378.492 0.911 20 0 GCADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419156846 1192817062 /nfs/dbraw/zinc/81/70/62/1192817062.db2.gz VUQAUIDHFLXZGT-UXLLHSPISA-N 2 1 376.526 0.897 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000419155675 1192815931 /nfs/dbraw/zinc/81/59/31/1192815931.db2.gz UFNXGCXUKBPQMQ-QIIPPGSGSA-N 2 1 392.450 0.879 20 0 GCADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419156845 1192816969 /nfs/dbraw/zinc/81/69/69/1192816969.db2.gz VUQAUIDHFLXZGT-INMHGKMJSA-N 2 1 376.526 0.897 20 0 GCADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419163551 1192820789 /nfs/dbraw/zinc/82/07/89/1192820789.db2.gz LOYOQKAMEKYVFG-MOPGFXCFSA-N 2 1 390.528 0.754 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1(C)C ZINC000419165068 1192822129 /nfs/dbraw/zinc/82/21/29/1192822129.db2.gz AVIDMCDHTTUWAB-UHFFFAOYSA-N 2 1 389.544 0.506 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H](C)[NH2+]1 ZINC000419166087 1192822603 /nfs/dbraw/zinc/82/26/03/1192822603.db2.gz OFOPWQVMZFHZKP-SCTDSRPQSA-N 2 1 388.512 0.603 20 0 GCADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000419166578 1192822717 /nfs/dbraw/zinc/82/27/17/1192822717.db2.gz HMINNAYVKIXZKO-IRXDYDNUSA-N 2 1 395.548 0.071 20 0 GCADMP C[NH2+]C[C@H]1CCN(C(=O)C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000419167290 1192823742 /nfs/dbraw/zinc/82/37/42/1192823742.db2.gz QKJRVEMHRKLNBB-RTBURBONSA-N 2 1 388.512 0.462 20 0 GCADMP COc1cc(C[NH+](C)[C@]2(CO)CCOC2)cc(C[N@@H+](C)[C@]2(CO)CCOC2)c1 ZINC000432868764 1192831172 /nfs/dbraw/zinc/83/11/72/1192831172.db2.gz XOLGZXKXDTYWKF-SFTDATJTSA-N 2 1 394.512 0.862 20 0 GCADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000419178167 1192828668 /nfs/dbraw/zinc/82/86/68/1192828668.db2.gz SWVHVQPFSFZRRL-OALUTQOASA-N 2 1 399.495 0.968 20 0 GCADMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000410697834 1192840271 /nfs/dbraw/zinc/84/02/71/1192840271.db2.gz MACKPSIAXDCWSR-LJQANCHMSA-N 2 1 394.560 0.746 20 0 GCADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000410697834 1192840274 /nfs/dbraw/zinc/84/02/74/1192840274.db2.gz MACKPSIAXDCWSR-LJQANCHMSA-N 2 1 394.560 0.746 20 0 GCADMP CC(C)OCCN1CCN(C(=O)C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000410719670 1192849035 /nfs/dbraw/zinc/84/90/35/1192849035.db2.gz ZKWMCPCYEIHMSL-GOSISDBHSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@@H](CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000419203916 1192850217 /nfs/dbraw/zinc/85/02/17/1192850217.db2.gz OLGSCFGXWTZMEG-WMZOPIPTSA-N 2 1 376.501 0.589 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893742961 1192847442 /nfs/dbraw/zinc/84/74/42/1192847442.db2.gz NPJHTLDQKMTBGZ-MANSERQUSA-N 2 1 380.533 0.605 20 0 GCADMP CC[NH+]1CCN(c2cc(C(N)=O)nc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@@H](C)C1 ZINC000893825234 1192863849 /nfs/dbraw/zinc/86/38/49/1192863849.db2.gz CUTLZNVEKVCWEQ-LSDHHAIUSA-N 2 1 375.521 0.636 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000419209342 1192887591 /nfs/dbraw/zinc/88/75/91/1192887591.db2.gz PEDCIJPYQYVQGX-CEXWTWQISA-N 2 1 388.512 0.732 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000419209347 1192888632 /nfs/dbraw/zinc/88/86/32/1192888632.db2.gz PEDCIJPYQYVQGX-GUDVDZBRSA-N 2 1 388.512 0.732 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000419209917 1192894576 /nfs/dbraw/zinc/89/45/76/1192894576.db2.gz XDFIIDAWNIZZBJ-YTQUADARSA-N 2 1 390.528 0.978 20 0 GCADMP CC[C@@H](C)[NH+]1CCN(C(=O)C(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)CC1 ZINC000410848618 1192909994 /nfs/dbraw/zinc/90/99/94/1192909994.db2.gz ZMGYXPVUVYLNLK-MSOLQXFVSA-N 2 1 382.549 0.888 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000410934768 1192916740 /nfs/dbraw/zinc/91/67/40/1192916740.db2.gz CANYKZFLECQEAJ-KRWDZBQOSA-N 2 1 396.576 0.870 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000410934768 1192916744 /nfs/dbraw/zinc/91/67/44/1192916744.db2.gz CANYKZFLECQEAJ-KRWDZBQOSA-N 2 1 396.576 0.870 20 0 GCADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(=O)N(CC[NH3+])CCO)C1 ZINC000419217749 1192919227 /nfs/dbraw/zinc/91/92/27/1192919227.db2.gz QVPFFZBAGQDEFW-INIZCTEOSA-N 2 1 376.501 0.314 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H](C[NH+]4CCOCC4)C3)CC[C@H]21 ZINC000410952947 1192919326 /nfs/dbraw/zinc/91/93/26/1192919326.db2.gz JUZUDCZHURWZNI-IPMKNSEASA-N 2 1 392.544 0.500 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000428743146 1192922656 /nfs/dbraw/zinc/92/26/56/1192922656.db2.gz VVXXSXACVAXZEG-WBVHZDCISA-N 2 1 381.521 0.221 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000428743146 1192922657 /nfs/dbraw/zinc/92/26/57/1192922657.db2.gz VVXXSXACVAXZEG-WBVHZDCISA-N 2 1 381.521 0.221 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000428743146 1192922658 /nfs/dbraw/zinc/92/26/58/1192922658.db2.gz VVXXSXACVAXZEG-WBVHZDCISA-N 2 1 381.521 0.221 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000274621046 1184124132 /nfs/dbraw/zinc/12/41/32/1184124132.db2.gz FVWYRCDRDGMKSN-MRXNPFEDSA-N 2 1 382.505 0.920 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)CC2)CC1 ZINC000654815127 1184153124 /nfs/dbraw/zinc/15/31/24/1184153124.db2.gz LLBKBCQQUCULAD-QGZVFWFLSA-N 2 1 386.562 0.462 20 0 GCADMP Cc1nn(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(=O)n1C ZINC000654866754 1184170829 /nfs/dbraw/zinc/17/08/29/1184170829.db2.gz YHDVAVAOUNQYMX-UHFFFAOYSA-N 2 1 392.548 0.545 20 0 GCADMP CN1C(=O)NC2(CC[NH+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)CC2)C1=O ZINC000274680226 1184182316 /nfs/dbraw/zinc/18/23/16/1184182316.db2.gz WOJDKLREQDULAQ-INIZCTEOSA-N 2 1 387.484 0.422 20 0 GCADMP CC[N@@H+](CCO)CCNC(=O)NCCC[NH+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182582 /nfs/dbraw/zinc/18/25/82/1184182582.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182587 /nfs/dbraw/zinc/18/25/87/1184182587.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182592 /nfs/dbraw/zinc/18/25/92/1184182592.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182622 /nfs/dbraw/zinc/18/26/22/1184182622.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 2 1 391.560 0.979 20 0 GCADMP CC[NH+](CCO)CCNC(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000274680769 1184182628 /nfs/dbraw/zinc/18/26/28/1184182628.db2.gz RHCDMVHVCWBFEG-HXUWFJFHSA-N 2 1 391.560 0.979 20 0 GCADMP CN1C(=O)NC2(CC[NH+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)CC2)C1=O ZINC000274680233 1184182827 /nfs/dbraw/zinc/18/28/27/1184182827.db2.gz WOJDKLREQDULAQ-MRXNPFEDSA-N 2 1 387.484 0.422 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000579813522 1184241977 /nfs/dbraw/zinc/24/19/77/1184241977.db2.gz XUQFJOJUEFHBKF-SFHVURJKSA-N 2 1 395.592 0.757 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000520857157 1184274153 /nfs/dbraw/zinc/27/41/53/1184274153.db2.gz JWSHJPKRKCQQJL-UHFFFAOYSA-N 2 1 381.565 0.319 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000520857157 1184274158 /nfs/dbraw/zinc/27/41/58/1184274158.db2.gz JWSHJPKRKCQQJL-UHFFFAOYSA-N 2 1 381.565 0.319 20 0 GCADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000065188930 1184275989 /nfs/dbraw/zinc/27/59/89/1184275989.db2.gz ZSTRGIHNAGGQCR-JKSUJKDBSA-N 2 1 393.532 0.977 20 0 GCADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000065188930 1184275998 /nfs/dbraw/zinc/27/59/98/1184275998.db2.gz ZSTRGIHNAGGQCR-JKSUJKDBSA-N 2 1 393.532 0.977 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000471181806 1184364566 /nfs/dbraw/zinc/36/45/66/1184364566.db2.gz HXRIANAFEMSLBC-MRXNPFEDSA-N 2 1 383.537 0.027 20 0 GCADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1[NH+]1CCOCC1 ZINC000246070524 1184465793 /nfs/dbraw/zinc/46/57/93/1184465793.db2.gz CLGUCIYHTOAJOR-ZHALLVOQSA-N 2 1 380.533 0.849 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250405 1184576825 /nfs/dbraw/zinc/57/68/25/1184576825.db2.gz DHGMNYAAYHTDNL-FQEVSTJZSA-N 3 1 377.577 0.830 20 0 GCADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000610250405 1184576831 /nfs/dbraw/zinc/57/68/31/1184576831.db2.gz DHGMNYAAYHTDNL-FQEVSTJZSA-N 3 1 377.577 0.830 20 0 GCADMP c1ccc([C@@]23C[NH2+]C[C@@H]2CN(c2nc4c(c(N5CCOCC5)n2)C[NH2+]C4)C3)cc1 ZINC001167207483 1184635472 /nfs/dbraw/zinc/63/54/72/1184635472.db2.gz BJISRMTZKFSUPZ-VGSWGCGISA-N 2 1 392.507 0.894 20 0 GCADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001707870225 1184636621 /nfs/dbraw/zinc/63/66/21/1184636621.db2.gz CHXAEHXNFHNFLS-QXAKKESOSA-N 2 1 392.548 0.590 20 0 GCADMP Cc1nnc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1C[C@H]1CCC[N@H+]1CCCO ZINC001707870225 1184636623 /nfs/dbraw/zinc/63/66/23/1184636623.db2.gz CHXAEHXNFHNFLS-QXAKKESOSA-N 2 1 392.548 0.590 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275554023 1184709465 /nfs/dbraw/zinc/70/94/65/1184709465.db2.gz GOWSHZUKKSVKON-UHFFFAOYSA-N 2 1 389.544 0.871 20 0 GCADMP C[N@H+]1CC[C@H]2OCCN(CC(=O)NCC3([NH+]4CCOCC4)CCCCC3)[C@@H]2C1 ZINC000332767661 1184745764 /nfs/dbraw/zinc/74/57/64/1184745764.db2.gz GUJSRPFGPANXNF-RTBURBONSA-N 2 1 394.560 0.543 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)C1 ZINC000332831873 1184746910 /nfs/dbraw/zinc/74/69/10/1184746910.db2.gz FKHLMKHDGZABPD-UKBAYJJMSA-N 2 1 382.549 0.851 20 0 GCADMP CC1(C)CCC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000683561991 1184777552 /nfs/dbraw/zinc/77/75/52/1184777552.db2.gz GGYGANVTSADFKV-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CCC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000683561991 1184777557 /nfs/dbraw/zinc/77/75/57/1184777557.db2.gz GGYGANVTSADFKV-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP CC1(C)CCC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000683561991 1184777562 /nfs/dbraw/zinc/77/75/62/1184777562.db2.gz GGYGANVTSADFKV-GOSISDBHSA-N 2 1 381.565 0.814 20 0 GCADMP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000579954446 1184823143 /nfs/dbraw/zinc/82/31/43/1184823143.db2.gz YQBGOLXCERZMRM-GOSISDBHSA-N 2 1 391.560 0.073 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642743974 1184853573 /nfs/dbraw/zinc/85/35/73/1184853573.db2.gz LZGCZRJBUOJNOX-ZWKOTPCHSA-N 2 1 387.528 0.572 20 0 GCADMP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC[N@H+]1CCCOCC1 ZINC000275688358 1184929870 /nfs/dbraw/zinc/92/98/70/1184929870.db2.gz VPLPLCGQNNRLNX-UHFFFAOYSA-N 3 1 390.532 0.615 20 0 GCADMP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000656027586 1184963006 /nfs/dbraw/zinc/96/30/06/1184963006.db2.gz DNOAJUHTZFRYGQ-NCXUSEDFSA-N 2 1 392.544 0.864 20 0 GCADMP Cc1cnc(CCNC(=O)C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c(C)c1 ZINC000656065969 1184997805 /nfs/dbraw/zinc/99/78/05/1184997805.db2.gz UNEUSASADFPQTH-UHFFFAOYSA-N 2 1 389.544 0.842 20 0 GCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000580184555 1185109921 /nfs/dbraw/zinc/10/99/21/1185109921.db2.gz HHDIHEAOYGUJBA-FUMNGEBKSA-N 2 1 382.508 0.787 20 0 GCADMP O=C(C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000580184556 1185110168 /nfs/dbraw/zinc/11/01/68/1185110168.db2.gz HHDIHEAOYGUJBA-IYWMVGAKSA-N 2 1 382.508 0.787 20 0 GCADMP C[NH2+][C@H](C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cnn(C)c1 ZINC000580189080 1185112891 /nfs/dbraw/zinc/11/28/91/1185112891.db2.gz GKORWCIGDYBKCT-KRWDZBQOSA-N 2 1 378.521 0.424 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCC[N@@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000580458434 1185236933 /nfs/dbraw/zinc/23/69/33/1185236933.db2.gz PIQYWDKUYRQVKM-SFHVURJKSA-N 2 1 389.544 0.234 20 0 GCADMP C[C@H]1C[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000580477456 1185246215 /nfs/dbraw/zinc/24/62/15/1185246215.db2.gz OVWHTZRMRRNNPO-PKOBYXMFSA-N 2 1 390.528 0.850 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)NC[C@H]3C[NH2+]CCN3C)cc2)C[C@H](C)O1 ZINC000580531741 1185262712 /nfs/dbraw/zinc/26/27/12/1185262712.db2.gz KFKQTMRBHWCJDW-FUHIMQAGSA-N 2 1 389.544 0.999 20 0 GCADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000580569625 1185277817 /nfs/dbraw/zinc/27/78/17/1185277817.db2.gz YINMLKOFYPLYIM-MRXNPFEDSA-N 2 1 376.505 0.021 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000557302239 1185287534 /nfs/dbraw/zinc/28/75/34/1185287534.db2.gz PQAGGXFXRCVSSF-UHFFFAOYSA-N 2 1 382.549 0.840 20 0 GCADMP C[N@H+](CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000580705181 1185308833 /nfs/dbraw/zinc/30/88/33/1185308833.db2.gz MXKCIKFLUCGGBB-MRXNPFEDSA-N 2 1 393.557 0.363 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000580705181 1185308837 /nfs/dbraw/zinc/30/88/37/1185308837.db2.gz MXKCIKFLUCGGBB-MRXNPFEDSA-N 2 1 393.557 0.363 20 0 GCADMP COCC[NH2+]CCCNC(=O)C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000275943425 1185329070 /nfs/dbraw/zinc/32/90/70/1185329070.db2.gz XXYBMLDWIRYJAJ-UHFFFAOYSA-N 2 1 391.516 0.509 20 0 GCADMP C[NH+](C)CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656293607 1185352476 /nfs/dbraw/zinc/35/24/76/1185352476.db2.gz KZVOOJZMDNCZDA-MSOLQXFVSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000656293607 1185352485 /nfs/dbraw/zinc/35/24/85/1185352485.db2.gz KZVOOJZMDNCZDA-MSOLQXFVSA-N 2 1 379.549 0.262 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000656293607 1185352489 /nfs/dbraw/zinc/35/24/89/1185352489.db2.gz KZVOOJZMDNCZDA-MSOLQXFVSA-N 2 1 379.549 0.262 20 0 GCADMP COCC(COC)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000413402793 1185358870 /nfs/dbraw/zinc/35/88/70/1185358870.db2.gz VWSGCZURXNAMFE-RTBURBONSA-N 2 1 398.548 0.353 20 0 GCADMP CC[NH+]1CCC(NC(=O)CN2CCC[N@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000076193525 1185365734 /nfs/dbraw/zinc/36/57/34/1185365734.db2.gz VIKKZPPXJKSJNZ-UHFFFAOYSA-N 2 1 379.549 0.217 20 0 GCADMP CC[NH+]1CCC(NC(=O)CN2CCC[N@@H+](CC(=O)N3CCCC3)CC2)CC1 ZINC000076193525 1185365742 /nfs/dbraw/zinc/36/57/42/1185365742.db2.gz VIKKZPPXJKSJNZ-UHFFFAOYSA-N 2 1 379.549 0.217 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401185 /nfs/dbraw/zinc/40/11/85/1185401185.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401189 /nfs/dbraw/zinc/40/11/89/1185401189.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401194 /nfs/dbraw/zinc/40/11/94/1185401194.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401199 /nfs/dbraw/zinc/40/11/99/1185401199.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 2 1 391.560 0.404 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)C(=O)N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000656315953 1185401203 /nfs/dbraw/zinc/40/12/03/1185401203.db2.gz NRIJLPWRGCTUAC-WDSOQIARSA-N 2 1 391.560 0.404 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CC1(C)C ZINC000656316964 1185403109 /nfs/dbraw/zinc/40/31/09/1185403109.db2.gz AXFXQWSEDYIQCL-IRXDYDNUSA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1(C)C ZINC000656316964 1185403113 /nfs/dbraw/zinc/40/31/13/1185403113.db2.gz AXFXQWSEDYIQCL-IRXDYDNUSA-N 2 1 379.549 0.262 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1(C)C ZINC000656316964 1185403116 /nfs/dbraw/zinc/40/31/16/1185403116.db2.gz AXFXQWSEDYIQCL-IRXDYDNUSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CCCO1 ZINC000656326133 1185418517 /nfs/dbraw/zinc/41/85/17/1185418517.db2.gz IQZXCUVCNHDUOV-FGTMMUONSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCCO1 ZINC000656326133 1185418521 /nfs/dbraw/zinc/41/85/21/1185418521.db2.gz IQZXCUVCNHDUOV-FGTMMUONSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000656326136 1185419142 /nfs/dbraw/zinc/41/91/42/1185419142.db2.gz IQZXCUVCNHDUOV-SQNIBIBYSA-N 2 1 380.533 0.737 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCCO1 ZINC000656326136 1185419145 /nfs/dbraw/zinc/41/91/45/1185419145.db2.gz IQZXCUVCNHDUOV-SQNIBIBYSA-N 2 1 380.533 0.737 20 0 GCADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000656360880 1185465500 /nfs/dbraw/zinc/46/55/00/1185465500.db2.gz WZCGCPBTOXYTIC-MOPGFXCFSA-N 2 1 392.544 0.690 20 0 GCADMP CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(=O)n(C)c1=O ZINC000581011549 1185469016 /nfs/dbraw/zinc/46/90/16/1185469016.db2.gz GQKRKBWSSRZPKT-OAHLLOKOSA-N 2 1 391.516 0.289 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000581025963 1185470785 /nfs/dbraw/zinc/47/07/85/1185470785.db2.gz NTOLIZSUJFDUGJ-IBGZPJMESA-N 2 1 387.528 0.302 20 0 GCADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000581086542 1185491556 /nfs/dbraw/zinc/49/15/56/1185491556.db2.gz GVXNECHEBOWJDC-KRWDZBQOSA-N 3 1 383.581 0.565 20 0 GCADMP CNC(=O)C[NH+]1CCC(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000276029401 1185502818 /nfs/dbraw/zinc/50/28/18/1185502818.db2.gz DEYWRDGOCQXHAL-UHFFFAOYSA-N 2 1 375.517 0.800 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000419421369 1185506326 /nfs/dbraw/zinc/50/63/26/1185506326.db2.gz OXPJIKIXFKCJBH-GOSISDBHSA-N 2 1 375.517 0.159 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000419421369 1185506331 /nfs/dbraw/zinc/50/63/31/1185506331.db2.gz OXPJIKIXFKCJBH-GOSISDBHSA-N 2 1 375.517 0.159 20 0 GCADMP C[NH2+]CCN(C)C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000419421369 1185506334 /nfs/dbraw/zinc/50/63/34/1185506334.db2.gz OXPJIKIXFKCJBH-GOSISDBHSA-N 2 1 375.517 0.159 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000581299916 1185574307 /nfs/dbraw/zinc/57/43/07/1185574307.db2.gz QUVXVNSTIUJASE-IRXDYDNUSA-N 2 1 376.505 0.270 20 0 GCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346806 1185618037 /nfs/dbraw/zinc/61/80/37/1185618037.db2.gz KBTOJQLBGQZFGC-BRSBDYLESA-N 2 1 382.549 0.648 20 0 GCADMP CCN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001104346806 1185618042 /nfs/dbraw/zinc/61/80/42/1185618042.db2.gz KBTOJQLBGQZFGC-BRSBDYLESA-N 2 1 382.549 0.648 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104346952 1185620053 /nfs/dbraw/zinc/62/00/53/1185620053.db2.gz MQCNYNBKXWLFCB-YWTNHNAXSA-N 2 1 377.533 0.756 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1CC[NH2+]CCc1ccnn1C ZINC001104346952 1185620062 /nfs/dbraw/zinc/62/00/62/1185620062.db2.gz MQCNYNBKXWLFCB-YWTNHNAXSA-N 2 1 377.533 0.756 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576447 1185631339 /nfs/dbraw/zinc/63/13/39/1185631339.db2.gz XILQKNPOWWWHJF-RZLSGREXSA-N 2 1 382.530 0.959 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000430576447 1185631346 /nfs/dbraw/zinc/63/13/46/1185631346.db2.gz XILQKNPOWWWHJF-RZLSGREXSA-N 2 1 382.530 0.959 20 0 GCADMP C[NH+](C)CCOCCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000471648977 1185647325 /nfs/dbraw/zinc/64/73/25/1185647325.db2.gz WXRITBBXQBWAAV-MOPGFXCFSA-N 2 1 378.517 0.747 20 0 GCADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000891391374 1185678102 /nfs/dbraw/zinc/67/81/02/1185678102.db2.gz DIRUWNCSBBOGLY-RDJZCZTQSA-N 2 1 389.500 0.979 20 0 GCADMP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430602396 1185689844 /nfs/dbraw/zinc/68/98/44/1185689844.db2.gz HFGJHTYLQHPXFB-MRXNPFEDSA-N 2 1 394.491 0.840 20 0 GCADMP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1F ZINC000430606005 1185700259 /nfs/dbraw/zinc/70/02/59/1185700259.db2.gz VEVDTSRTINSEKG-GDBMZVCRSA-N 2 1 394.491 0.968 20 0 GCADMP O=C([C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1)N1CC[NH2+]CC1 ZINC000430608747 1185737932 /nfs/dbraw/zinc/73/79/32/1185737932.db2.gz FZDAFOJWUGUQDF-AWEZNQCLSA-N 2 1 389.887 0.992 20 0 GCADMP CCOCc1ccccc1CNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609196 1185752419 /nfs/dbraw/zinc/75/24/19/1185752419.db2.gz HICWRZVLBXDUQD-KRWDZBQOSA-N 2 1 376.501 0.626 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000430609148 1185754885 /nfs/dbraw/zinc/75/48/85/1185754885.db2.gz GYNFSPGSTNUTDH-AWEZNQCLSA-N 2 1 382.892 0.622 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611928 1185757611 /nfs/dbraw/zinc/75/76/11/1185757611.db2.gz QDFVJIOMOQEZON-CVEARBPZSA-N 2 1 376.505 0.935 20 0 GCADMP CC(C)n1nccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611928 1185757615 /nfs/dbraw/zinc/75/76/15/1185757615.db2.gz QDFVJIOMOQEZON-CVEARBPZSA-N 2 1 376.505 0.935 20 0 GCADMP COc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430612948 1185764086 /nfs/dbraw/zinc/76/40/86/1185764086.db2.gz TXLCYKWEAPPYSN-WMZOPIPTSA-N 2 1 388.512 0.844 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430612405 1185765048 /nfs/dbraw/zinc/76/50/48/1185765048.db2.gz REUVRTDWNQWTGQ-MRXNPFEDSA-N 2 1 392.500 0.449 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)O1 ZINC001022018166 1185773022 /nfs/dbraw/zinc/77/30/22/1185773022.db2.gz XVPPKFQOSKAPER-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[NH+](C)C4CCC4)C[C@H]32)O1 ZINC001022018166 1185773026 /nfs/dbraw/zinc/77/30/26/1185773026.db2.gz XVPPKFQOSKAPER-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@H+](C)C4CCC4)C[C@H]32)O1 ZINC001022018166 1185773030 /nfs/dbraw/zinc/77/30/30/1185773030.db2.gz XVPPKFQOSKAPER-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CN(C(=O)C[N@@H+](C)C4CCC4)C[C@H]32)O1 ZINC001022018166 1185773033 /nfs/dbraw/zinc/77/30/33/1185773033.db2.gz XVPPKFQOSKAPER-CYGHRXIMSA-N 2 1 378.517 0.249 20 0 GCADMP O=C([C@H]1CCC[N@@H+](CCNS(=O)(=O)c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621734 1185797838 /nfs/dbraw/zinc/79/78/38/1185797838.db2.gz DCWKYAUARBKTMO-INIZCTEOSA-N 2 1 380.514 0.109 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)NCCOc1cccc(F)c1 ZINC000430622412 1185803462 /nfs/dbraw/zinc/80/34/62/1185803462.db2.gz FVOQUIXTSWAGRY-INIZCTEOSA-N 2 1 392.475 0.465 20 0 GCADMP CCOc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430625014 1185806575 /nfs/dbraw/zinc/80/65/75/1185806575.db2.gz JWNFBVMWZHLCIG-QGZVFWFLSA-N 2 1 376.501 0.831 20 0 GCADMP COc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430626477 1185811327 /nfs/dbraw/zinc/81/13/27/1185811327.db2.gz LCVOWXOZJOXAIM-AEFFLSMTSA-N 2 1 388.512 0.844 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCCc1ccc(F)cc1 ZINC000430629303 1185817954 /nfs/dbraw/zinc/81/79/54/1185817954.db2.gz WGFLOUZQFVDEQN-QGZVFWFLSA-N 2 1 376.476 0.628 20 0 GCADMP COc1ccccc1CN(C)C(=O)C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430633095 1185821795 /nfs/dbraw/zinc/82/17/95/1185821795.db2.gz BIJQPNNURFBKQW-SFHVURJKSA-N 2 1 388.512 0.797 20 0 GCADMP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430634366 1185825223 /nfs/dbraw/zinc/82/52/23/1185825223.db2.gz DIXOOZMZCHFKQE-HNNXBMFYSA-N 2 1 375.473 0.114 20 0 GCADMP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430634366 1185825229 /nfs/dbraw/zinc/82/52/29/1185825229.db2.gz DIXOOZMZCHFKQE-HNNXBMFYSA-N 2 1 375.473 0.114 20 0 GCADMP O=C(C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)NCc1ccc2c(c1)OCO2 ZINC000430636480 1185834722 /nfs/dbraw/zinc/83/47/22/1185834722.db2.gz JHQLDCQUGNGUAL-MRXNPFEDSA-N 2 1 388.468 0.175 20 0 GCADMP Cc1cccc(OCCCNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430637661 1185837976 /nfs/dbraw/zinc/83/79/76/1185837976.db2.gz DHEMNTQWWMIKSG-KRWDZBQOSA-N 2 1 376.501 0.667 20 0 GCADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1)c1ccccc1 ZINC000625809428 1185839149 /nfs/dbraw/zinc/83/91/49/1185839149.db2.gz KJPCKCYLZUZBMN-SFHVURJKSA-N 2 1 399.499 0.433 20 0 GCADMP COc1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430638725 1185841525 /nfs/dbraw/zinc/84/15/25/1185841525.db2.gz DCXCGQNMFRTSLW-SFHVURJKSA-N 2 1 388.512 0.797 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000430639896 1185843057 /nfs/dbraw/zinc/84/30/57/1185843057.db2.gz GPRAPAJPQXYANQ-QGZVFWFLSA-N 2 1 384.484 0.275 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641132 1185851679 /nfs/dbraw/zinc/85/16/79/1185851679.db2.gz SJECBNUCJOZRJN-HOTGVXAUSA-N 2 1 376.505 0.508 20 0 GCADMP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430641132 1185851681 /nfs/dbraw/zinc/85/16/81/1185851681.db2.gz SJECBNUCJOZRJN-HOTGVXAUSA-N 2 1 376.505 0.508 20 0 GCADMP COc1ccccc1N1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000430642392 1185854609 /nfs/dbraw/zinc/85/46/09/1185854609.db2.gz KECOPALFPDDIKA-AEFFLSMTSA-N 2 1 386.496 0.944 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430645972 1185858762 /nfs/dbraw/zinc/85/87/62/1185858762.db2.gz VOPIYGRLFTXYTL-AWEZNQCLSA-N 2 1 384.502 0.351 20 0 GCADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)N3CCCC3)o2)C1 ZINC000430645972 1185858766 /nfs/dbraw/zinc/85/87/66/1185858766.db2.gz VOPIYGRLFTXYTL-AWEZNQCLSA-N 2 1 384.502 0.351 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)N1CCc2sccc2C1 ZINC000430648174 1185865431 /nfs/dbraw/zinc/86/54/31/1185865431.db2.gz HERFAAAWPRVPQW-INIZCTEOSA-N 2 1 376.526 0.777 20 0 GCADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871291 /nfs/dbraw/zinc/87/12/91/1185871291.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871298 /nfs/dbraw/zinc/87/12/98/1185871298.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)N(CCO)C[C@@H]2C)[C@@H](C)CN1CCO ZINC000581734419 1185871304 /nfs/dbraw/zinc/87/13/04/1185871304.db2.gz KSRVESPIMXGLKG-XSDIEEQYSA-N 2 1 384.609 0.931 20 0 GCADMP COCCC1(NC(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)CC[NH2+]CC1 ZINC000891481747 1185887082 /nfs/dbraw/zinc/88/70/82/1185887082.db2.gz GKKFNBXSYABJPM-MRXNPFEDSA-N 2 1 383.537 0.387 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891483486 1185887200 /nfs/dbraw/zinc/88/72/00/1185887200.db2.gz QJMXKGGCZLWFDW-KGLIPLIRSA-N 2 1 375.464 0.473 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891484811 1185887692 /nfs/dbraw/zinc/88/76/92/1185887692.db2.gz YDLXDBQEJHTVLN-IRXDYDNUSA-N 2 1 395.548 0.387 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558981 1185918578 /nfs/dbraw/zinc/91/85/78/1185918578.db2.gz CKJRYCSOHYJYTF-KCQAQPDRSA-N 2 1 377.455 0.934 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)C2)CC1 ZINC000891558981 1185918579 /nfs/dbraw/zinc/91/85/79/1185918579.db2.gz CKJRYCSOHYJYTF-KCQAQPDRSA-N 2 1 377.455 0.934 20 0 GCADMP [NH3+][C@@H](CCNC(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)Cc1ccccc1 ZINC000891567866 1185923501 /nfs/dbraw/zinc/92/35/01/1185923501.db2.gz XKGLNZFTMWIUON-VQTJNVASSA-N 2 1 389.544 0.652 20 0 GCADMP COc1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000430671301 1185944395 /nfs/dbraw/zinc/94/43/95/1185944395.db2.gz XKVCMLKPTSXIKY-HNNXBMFYSA-N 2 1 378.473 0.107 20 0 GCADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1 ZINC000891670073 1185963999 /nfs/dbraw/zinc/96/39/99/1185963999.db2.gz NISFWHYVANVISW-VQHPVUNQSA-N 2 1 379.505 0.541 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419898360 1185976428 /nfs/dbraw/zinc/97/64/28/1185976428.db2.gz PLLRYSFYENKMLU-XMTFNYHQSA-N 2 1 379.549 0.390 20 0 GCADMP COC(=O)[C@@H](NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C(C)C ZINC000581972281 1186016124 /nfs/dbraw/zinc/01/61/24/1186016124.db2.gz FGLFDQKZZAUXJX-SFHVURJKSA-N 2 1 382.549 0.650 20 0 GCADMP C[C@@H](C(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@H]([NH3+])c1ccccc1 ZINC000430862384 1186041446 /nfs/dbraw/zinc/04/14/46/1186041446.db2.gz DPDHCPLKLNZMBN-BEFAXECRSA-N 2 1 384.484 0.932 20 0 GCADMP C[C@@H](CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000430865976 1186042994 /nfs/dbraw/zinc/04/29/94/1186042994.db2.gz PMVNXCJHKPZDQC-JKSUJKDBSA-N 2 1 376.505 0.621 20 0 GCADMP C[C@@H](CC(=O)Nc1cnn(CC(=O)N2CC[NH+](C)CC2)c1)C1CC[NH2+]CC1 ZINC000430867057 1186043935 /nfs/dbraw/zinc/04/39/35/1186043935.db2.gz ISENTEJAUODDHL-HNNXBMFYSA-N 2 1 376.505 0.621 20 0 GCADMP C[NH+]1CCN(C(=O)Cn2cc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000430866921 1186044200 /nfs/dbraw/zinc/04/42/00/1186044200.db2.gz QXCXNLRUEKUKBJ-IRXDYDNUSA-N 2 1 376.505 0.893 20 0 GCADMP C[C@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933733059 1186048474 /nfs/dbraw/zinc/04/84/74/1186048474.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733059 1186048479 /nfs/dbraw/zinc/04/84/79/1186048479.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933733059 1186048482 /nfs/dbraw/zinc/04/84/82/1186048482.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@H](CNC(=O)CN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733059 1186048487 /nfs/dbraw/zinc/04/84/87/1186048487.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@H](CNC(=O)CN1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)[NH+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733059 1186048493 /nfs/dbraw/zinc/04/84/93/1186048493.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733059 1186048497 /nfs/dbraw/zinc/04/84/97/1186048497.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 1 377.577 0.258 20 0 GCADMP C[C@H](CNC(=O)CN1C[C@@H]2C[NH+](C)C[C@]2(C)C1)[N@H+]1C[C@@H]2CN(C)C[C@]2(C)C1 ZINC000933733059 1186048499 /nfs/dbraw/zinc/04/84/99/1186048499.db2.gz OJNHLNUNRSZUSD-MGSPEMMDSA-N 2 1 377.577 0.258 20 0 GCADMP C[N@@H+]1C[C@H]2CCN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000891823475 1186063394 /nfs/dbraw/zinc/06/33/94/1186063394.db2.gz ABAPGPFQELYSNF-MOPGFXCFSA-N 2 1 385.512 0.920 20 0 GCADMP C[N@H+]1C[C@H]2CCN(C(=O)NCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000891823475 1186063400 /nfs/dbraw/zinc/06/34/00/1186063400.db2.gz ABAPGPFQELYSNF-MOPGFXCFSA-N 2 1 385.512 0.920 20 0 GCADMP COc1ccccc1[C@@H](N)C(=O)N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 ZINC000431018811 1186104520 /nfs/dbraw/zinc/10/45/20/1186104520.db2.gz YCDNTBYFAKIVEI-FXAWDEMLSA-N 2 1 390.528 0.948 20 0 GCADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000891865447 1186107090 /nfs/dbraw/zinc/10/70/90/1186107090.db2.gz PGTRIXDWIGWRNF-FZKCQIBNSA-N 2 1 379.505 0.683 20 0 GCADMP O=C(NCC[NH+]1CCC(O)CC1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000891923882 1186162400 /nfs/dbraw/zinc/16/24/00/1186162400.db2.gz QOXGAOUZAUNZPJ-UHFFFAOYSA-N 2 1 375.517 0.565 20 0 GCADMP Cc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@]1(O)CC[NH+](C)C1 ZINC001707913366 1186269424 /nfs/dbraw/zinc/26/94/24/1186269424.db2.gz ZNZFNHQMAVPJJF-BEFAXECRSA-N 2 1 378.521 0.343 20 0 GCADMP Cc1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001707913366 1186269431 /nfs/dbraw/zinc/26/94/31/1186269431.db2.gz ZNZFNHQMAVPJJF-BEFAXECRSA-N 2 1 378.521 0.343 20 0 GCADMP Cc1nnc(N2CC[NH+](C3CCOCC3)C[C@H]2C)n1C[C@]1(O)CC[N@@H+](C)C1 ZINC001707913366 1186269437 /nfs/dbraw/zinc/26/94/37/1186269437.db2.gz ZNZFNHQMAVPJJF-BEFAXECRSA-N 2 1 378.521 0.343 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000582016527 1186348661 /nfs/dbraw/zinc/34/86/61/1186348661.db2.gz BZLUNLVBCWXDAN-UHFFFAOYSA-N 2 1 395.592 0.852 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000582016527 1186348668 /nfs/dbraw/zinc/34/86/68/1186348668.db2.gz BZLUNLVBCWXDAN-UHFFFAOYSA-N 3 1 395.592 0.852 20 0 GCADMP CC(C)N(CC[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000157422028 1186360996 /nfs/dbraw/zinc/36/09/96/1186360996.db2.gz DRTBSMIHLGSCBO-UHFFFAOYSA-N 2 1 377.537 0.970 20 0 GCADMP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC1CCC([NH+]2CCNCC2)CC1 ZINC000892132746 1186363675 /nfs/dbraw/zinc/36/36/75/1186363675.db2.gz ULJCLAKOPLJKID-ABHNRTSZSA-N 2 1 379.549 0.661 20 0 GCADMP CC(C)[C@H](C(=O)N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000431330363 1186366487 /nfs/dbraw/zinc/36/64/87/1186366487.db2.gz VVLBZOITLTXGDO-GOSISDBHSA-N 2 1 382.549 0.650 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000582017264 1186372783 /nfs/dbraw/zinc/37/27/83/1186372783.db2.gz ISYKSDBHISFYKB-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000582017264 1186372789 /nfs/dbraw/zinc/37/27/89/1186372789.db2.gz ISYKSDBHISFYKB-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NCCCCN2CC[NH+](C)CC2)C1 ZINC000582017264 1186372795 /nfs/dbraw/zinc/37/27/95/1186372795.db2.gz ISYKSDBHISFYKB-GOSISDBHSA-N 2 1 395.592 0.757 20 0 GCADMP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000892156990 1186380445 /nfs/dbraw/zinc/38/04/45/1186380445.db2.gz UGXPMUFRRVYQIE-LSDHHAIUSA-N 2 1 375.464 0.079 20 0 GCADMP C[N@H+]1CCN(CC[NH2+]C[C@H](O)Cn2c(=O)onc2-c2ccccc2)CC1(C)C ZINC000582176591 1186452738 /nfs/dbraw/zinc/45/27/38/1186452738.db2.gz BKRGNQGRMJFZIZ-KRWDZBQOSA-N 2 1 389.500 0.480 20 0 GCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC[N@@H+](C)CCO)c(C)c2)CC1 ZINC000892221072 1186464353 /nfs/dbraw/zinc/46/43/53/1186464353.db2.gz MGAQWNPKNWVGDI-UHFFFAOYSA-N 2 1 391.516 0.116 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000582236523 1186469242 /nfs/dbraw/zinc/46/92/42/1186469242.db2.gz ZNWRDVRNCPXMRK-UHFFFAOYSA-N 2 1 395.569 0.853 20 0 GCADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC1 ZINC000582252536 1186478411 /nfs/dbraw/zinc/47/84/11/1186478411.db2.gz KFBVXPMNEPSPKQ-MSOLQXFVSA-N 2 1 385.512 0.995 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000582263770 1186479370 /nfs/dbraw/zinc/47/93/70/1186479370.db2.gz IPPJFSZVZNZQNV-RYQLBKOJSA-N 2 1 380.533 0.281 20 0 GCADMP O=C(N[C@H]1CC[NH2+]C1)C(=O)NC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000582312573 1186493358 /nfs/dbraw/zinc/49/33/58/1186493358.db2.gz COSKEQFOZCIBSZ-KRWDZBQOSA-N 2 1 397.479 0.900 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000125128888 1186538925 /nfs/dbraw/zinc/53/89/25/1186538925.db2.gz AMZNFQUDULHWHG-INIZCTEOSA-N 2 1 388.472 0.930 20 0 GCADMP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000582547256 1186562435 /nfs/dbraw/zinc/56/24/35/1186562435.db2.gz UVCOIDVNWMJZES-QGZVFWFLSA-N 2 1 379.549 0.073 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NCCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000125414675 1186587696 /nfs/dbraw/zinc/58/76/96/1186587696.db2.gz XAQPRMLRGRCGIE-UHFFFAOYSA-N 2 1 398.511 0.948 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642905572 1186594504 /nfs/dbraw/zinc/59/45/04/1186594504.db2.gz PJBSPAQNPAAWLL-SFHVURJKSA-N 2 1 387.528 0.525 20 0 GCADMP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000582670423 1186605303 /nfs/dbraw/zinc/60/53/03/1186605303.db2.gz YBQGOQGOQIANEH-FXAWDEMLSA-N 2 1 389.519 0.842 20 0 GCADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN2C(=O)N[C@]3(CCC[NH2+]C3)C2=O)CC1 ZINC000582723919 1186626075 /nfs/dbraw/zinc/62/60/75/1186626075.db2.gz SCFFTNGHUURLIV-NRFANRHFSA-N 2 1 399.495 0.313 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076458224 1186636003 /nfs/dbraw/zinc/63/60/03/1186636003.db2.gz RGIDUGGETVAAIU-MHORFTMASA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076458224 1186636008 /nfs/dbraw/zinc/63/60/08/1186636008.db2.gz RGIDUGGETVAAIU-MHORFTMASA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076458224 1186636012 /nfs/dbraw/zinc/63/60/12/1186636012.db2.gz RGIDUGGETVAAIU-MHORFTMASA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000076458224 1186636015 /nfs/dbraw/zinc/63/60/15/1186636015.db2.gz RGIDUGGETVAAIU-MHORFTMASA-N 2 1 382.549 0.824 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000152598906 1186666751 /nfs/dbraw/zinc/66/67/51/1186666751.db2.gz DIACXPGTBSYKHF-YRXWBPOGSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000152598906 1186666754 /nfs/dbraw/zinc/66/67/54/1186666754.db2.gz DIACXPGTBSYKHF-YRXWBPOGSA-N 2 1 394.560 0.885 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238003646 1186751213 /nfs/dbraw/zinc/75/12/13/1186751213.db2.gz KTKYREVJBLJOAT-UHFFFAOYSA-N 2 1 376.505 0.968 20 0 GCADMP O=C(C[C@@H]1CSCC[NH2+]1)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000238050573 1186754844 /nfs/dbraw/zinc/75/48/44/1186754844.db2.gz ZEXOIJDZUWBAEC-QGZVFWFLSA-N 2 1 376.526 0.542 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@H+]1C ZINC000583041576 1186755294 /nfs/dbraw/zinc/75/52/94/1186755294.db2.gz IWVIZRNQFNASQU-HKUYNNGSSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000583107571 1186771436 /nfs/dbraw/zinc/77/14/36/1186771436.db2.gz YTCOADXWYDSBGB-LJQANCHMSA-N 2 1 390.576 0.934 20 0 GCADMP C[C@H](CNC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)C[NH+]1CCN(C)CC1 ZINC000561285706 1186790494 /nfs/dbraw/zinc/79/04/94/1186790494.db2.gz ZLYWJWLFQWENPR-MSOLQXFVSA-N 2 1 381.565 0.319 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(C[C@@H]4CCCO4)CC3)CC[C@H]21 ZINC000657741354 1186793650 /nfs/dbraw/zinc/79/36/50/1186793650.db2.gz JRNWDAVLYSYRDQ-FGTMMUONSA-N 2 1 378.517 0.252 20 0 GCADMP CCc1ncc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000124588391 1186798153 /nfs/dbraw/zinc/79/81/53/1186798153.db2.gz JEZNGWKHOBFMII-MRXNPFEDSA-N 2 1 376.505 0.852 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccn(C)c1=O ZINC000124622871 1186799590 /nfs/dbraw/zinc/79/95/90/1186799590.db2.gz WRSLOBAYEFKYJS-OAHLLOKOSA-N 2 1 377.489 0.198 20 0 GCADMP CCc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n(C)n1 ZINC000124658356 1186800198 /nfs/dbraw/zinc/80/01/98/1186800198.db2.gz ADMWFJOZXGECRJ-MRXNPFEDSA-N 2 1 378.521 0.796 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000583252546 1186809159 /nfs/dbraw/zinc/80/91/59/1186809159.db2.gz PPLFZJLUKNQMBN-IAGOWNOFSA-N 2 1 379.509 0.440 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC000583391582 1186843507 /nfs/dbraw/zinc/84/35/07/1186843507.db2.gz ZGSKEPZMRZFSPK-MRXNPFEDSA-N 2 1 386.562 0.333 20 0 GCADMP CC(C)Nc1nc(NCCO)nc(N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000413527821 1186879013 /nfs/dbraw/zinc/87/90/13/1186879013.db2.gz BXDNCSJFNVGOQC-INIZCTEOSA-N 2 1 385.516 0.651 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000583554943 1186883971 /nfs/dbraw/zinc/88/39/71/1186883971.db2.gz APUFFVGFCCFBPW-NZSAHSFTSA-N 2 1 388.512 0.603 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000583554943 1186883974 /nfs/dbraw/zinc/88/39/74/1186883974.db2.gz APUFFVGFCCFBPW-NZSAHSFTSA-N 2 1 388.512 0.603 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CCCO1 ZINC000278315918 1186885084 /nfs/dbraw/zinc/88/50/84/1186885084.db2.gz IJPKXMXUCCBXCS-OAHLLOKOSA-N 2 1 386.456 0.823 20 0 GCADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158422 1186891116 /nfs/dbraw/zinc/89/11/16/1186891116.db2.gz UQKNNICZTZXOTC-QFBILLFUSA-N 2 1 398.573 0.634 20 0 GCADMP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000545158422 1186891120 /nfs/dbraw/zinc/89/11/20/1186891120.db2.gz UQKNNICZTZXOTC-QFBILLFUSA-N 2 1 398.573 0.634 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[NH+](C)CC2)CC1=O ZINC000888990831 1186894318 /nfs/dbraw/zinc/89/43/18/1186894318.db2.gz FXXIRGZUCMPJRO-ROUUACIJSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[N@H+](C)CC2)CC1=O ZINC000888990831 1186894326 /nfs/dbraw/zinc/89/43/26/1186894326.db2.gz FXXIRGZUCMPJRO-ROUUACIJSA-N 2 1 379.549 0.025 20 0 GCADMP CC[NH+]1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(C)CC[N@@H+](C)CC2)CC1=O ZINC000888990831 1186894332 /nfs/dbraw/zinc/89/43/32/1186894332.db2.gz FXXIRGZUCMPJRO-ROUUACIJSA-N 2 1 379.549 0.025 20 0 GCADMP O=C(NCc1ccccc1C[NH+]1CC[C@H](O)C1)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458662823 1186930374 /nfs/dbraw/zinc/93/03/74/1186930374.db2.gz UTRRYTWTJICZHQ-PMACEKPBSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH+]1CCCO ZINC000458662823 1186930377 /nfs/dbraw/zinc/93/03/77/1186930377.db2.gz UTRRYTWTJICZHQ-PMACEKPBSA-N 2 1 390.528 0.899 20 0 GCADMP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH+]1CCCO ZINC000458662823 1186930378 /nfs/dbraw/zinc/93/03/78/1186930378.db2.gz UTRRYTWTJICZHQ-PMACEKPBSA-N 2 1 390.528 0.899 20 0 GCADMP COCCO[C@@H]1C[C@@H](CO)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400125 1186930900 /nfs/dbraw/zinc/93/09/00/1186930900.db2.gz WHSCMBFPBMYCFB-MISYRCLQSA-N 2 1 393.528 0.751 20 0 GCADMP COCCO[C@@H]1C[C@@H](CO)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000278400125 1186930905 /nfs/dbraw/zinc/93/09/05/1186930905.db2.gz WHSCMBFPBMYCFB-MISYRCLQSA-N 2 1 393.528 0.751 20 0 GCADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000583764195 1186934673 /nfs/dbraw/zinc/93/46/73/1186934673.db2.gz AFHXHMKXHVOMFC-SLFFLAALSA-N 2 1 384.524 0.924 20 0 GCADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C1 ZINC000583764195 1186934675 /nfs/dbraw/zinc/93/46/75/1186934675.db2.gz AFHXHMKXHVOMFC-SLFFLAALSA-N 2 1 384.524 0.924 20 0 GCADMP C[NH+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)C1 ZINC000583764195 1186934678 /nfs/dbraw/zinc/93/46/78/1186934678.db2.gz AFHXHMKXHVOMFC-SLFFLAALSA-N 2 1 384.524 0.924 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000329494625 1186951398 /nfs/dbraw/zinc/95/13/98/1186951398.db2.gz UPTMISXGKBXFLM-GOSISDBHSA-N 2 1 380.533 0.500 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)CCCO1 ZINC000583986646 1186973849 /nfs/dbraw/zinc/97/38/49/1186973849.db2.gz CSSGVARTISZZCC-QGZVFWFLSA-N 2 1 380.533 0.690 20 0 GCADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000584011129 1186980614 /nfs/dbraw/zinc/98/06/14/1186980614.db2.gz ZYXHPJMVRVEIMK-KRWDZBQOSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)C[C@H](C)[N@@H+]1CCO ZINC000458778751 1186986009 /nfs/dbraw/zinc/98/60/09/1186986009.db2.gz PJXMKVJQPRKYJR-IYBDPMFKSA-N 2 1 379.505 0.619 20 0 GCADMP C[C@@H](O)C[NH+]1CCN(c2cnc(N3CC[N@H+](C[C@H](C)O)C[C@H]3C)cn2)[C@@H](C)C1 ZINC000685273059 1187008561 /nfs/dbraw/zinc/00/85/61/1187008561.db2.gz FKUHFMQIWONCJQ-FZDBZEDMSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H](O)C[N@H+]1CCN(c2cnc(N3CC[NH+](C[C@H](C)O)C[C@H]3C)cn2)[C@@H](C)C1 ZINC000685273059 1187008567 /nfs/dbraw/zinc/00/85/67/1187008567.db2.gz FKUHFMQIWONCJQ-FZDBZEDMSA-N 2 1 392.548 0.259 20 0 GCADMP C[C@@H](O)C[N@@H+]1CCN(c2cnc(N3CC[NH+](C[C@H](C)O)C[C@H]3C)cn2)[C@@H](C)C1 ZINC000685273059 1187008572 /nfs/dbraw/zinc/00/85/72/1187008572.db2.gz FKUHFMQIWONCJQ-FZDBZEDMSA-N 2 1 392.548 0.259 20 0 GCADMP CC1(C)CC[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)[NH2+]C1 ZINC000892374155 1187017433 /nfs/dbraw/zinc/01/74/33/1187017433.db2.gz AWHGNKZNHXYVID-ZWKOTPCHSA-N 2 1 381.565 0.860 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276385 1187017598 /nfs/dbraw/zinc/01/75/98/1187017598.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000685276385 1187017601 /nfs/dbraw/zinc/01/76/01/1187017601.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@H+]1C1CC1 ZINC000685276385 1187017607 /nfs/dbraw/zinc/01/76/07/1187017607.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276385 1187017610 /nfs/dbraw/zinc/01/76/10/1187017610.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C[NH+]1C1CC1 ZINC000685276385 1187017614 /nfs/dbraw/zinc/01/76/14/1187017614.db2.gz OABCXHMBRWRYND-JTDSTZFVSA-N 2 1 391.560 0.355 20 0 GCADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)CC1 ZINC000584277682 1187024509 /nfs/dbraw/zinc/02/45/09/1187024509.db2.gz BSIIMFFJFSSJHP-CADBVGFASA-N 2 1 391.560 0.166 20 0 GCADMP C[C@H]1C[NH+](C(C)(C)CNC(=O)C(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000584339830 1187033175 /nfs/dbraw/zinc/03/31/75/1187033175.db2.gz YNCKOZPCFPVOBS-HOTGVXAUSA-N 2 1 382.549 0.981 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000584416220 1187055939 /nfs/dbraw/zinc/05/59/39/1187055939.db2.gz RZCSZWNXYLJNLJ-UHFFFAOYSA-N 2 1 375.473 0.713 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000685310521 1187069702 /nfs/dbraw/zinc/06/97/02/1187069702.db2.gz YXWVDLCPVLEBOB-MAUKXSAKSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1nc2ccccn2c1=O ZINC000600982781 1187074451 /nfs/dbraw/zinc/07/44/51/1187074451.db2.gz GFDGSLURMVTJIV-KRWDZBQOSA-N 2 1 388.516 0.761 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000140356612 1187078170 /nfs/dbraw/zinc/07/81/70/1187078170.db2.gz URRSTFCRGHPLTD-UHFFFAOYSA-N 2 1 383.537 0.387 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000685336886 1187101956 /nfs/dbraw/zinc/10/19/56/1187101956.db2.gz SLXROWCVKSWOAO-FHWLQOOXSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@H](NC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685336886 1187101960 /nfs/dbraw/zinc/10/19/60/1187101960.db2.gz SLXROWCVKSWOAO-FHWLQOOXSA-N 2 1 394.560 0.792 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1C[N@H+](C)CCO1 ZINC000685342485 1187108218 /nfs/dbraw/zinc/10/82/18/1187108218.db2.gz YWNCWSRDCGSIAW-HOCLYGCPSA-N 2 1 382.530 0.474 20 0 GCADMP C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccs1)[C@@H]1C[N@@H+](C)CCO1 ZINC000685342485 1187108219 /nfs/dbraw/zinc/10/82/19/1187108219.db2.gz YWNCWSRDCGSIAW-HOCLYGCPSA-N 2 1 382.530 0.474 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246880636 1187152144 /nfs/dbraw/zinc/15/21/44/1187152144.db2.gz DIACXPGTBSYKHF-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246880636 1187152147 /nfs/dbraw/zinc/15/21/47/1187152147.db2.gz DIACXPGTBSYKHF-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246880636 1187152151 /nfs/dbraw/zinc/15/21/51/1187152151.db2.gz DIACXPGTBSYKHF-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246880636 1187152155 /nfs/dbraw/zinc/15/21/55/1187152155.db2.gz DIACXPGTBSYKHF-HCXYKTFWSA-N 2 1 394.560 0.885 20 0 GCADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000431618335 1187199012 /nfs/dbraw/zinc/19/90/12/1187199012.db2.gz PQNDEPOTHZUHPI-UHFFFAOYSA-N 2 1 399.605 0.961 20 0 GCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001023970694 1187202662 /nfs/dbraw/zinc/20/26/62/1187202662.db2.gz UNIAHIJTLTXIRE-KLHDSHLOSA-N 2 1 377.489 0.035 20 0 GCADMP CC(C)c1[nH+]ccn1CC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001023970694 1187202664 /nfs/dbraw/zinc/20/26/64/1187202664.db2.gz UNIAHIJTLTXIRE-KLHDSHLOSA-N 2 1 377.489 0.035 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]2O)CC[N@H+]1C ZINC001023977747 1187208144 /nfs/dbraw/zinc/20/81/44/1187208144.db2.gz MQNXDTPGVITLHX-YLFCFFPRSA-N 2 1 378.517 0.033 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]2O)CC[N@H+]1C ZINC001023978797 1187208958 /nfs/dbraw/zinc/20/89/58/1187208958.db2.gz IWACSRYILYUZSC-YLFCFFPRSA-N 2 1 380.533 0.279 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(C(=O)c3occc3C[NH+](C)C)C[C@H]2O)CC[N@H+]1C ZINC001023979333 1187211368 /nfs/dbraw/zinc/21/13/68/1187211368.db2.gz VADMWBCGRNMUNQ-YLFCFFPRSA-N 2 1 392.500 0.373 20 0 GCADMP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000658084563 1187242674 /nfs/dbraw/zinc/24/26/74/1187242674.db2.gz DHSXUYSEHYTGNK-GOSISDBHSA-N 2 1 381.565 0.271 20 0 GCADMP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000612046031 1187245445 /nfs/dbraw/zinc/24/54/45/1187245445.db2.gz XWSGDMCAKPYCHY-KURKYZTESA-N 2 1 378.517 0.489 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000658180357 1187253095 /nfs/dbraw/zinc/25/30/95/1187253095.db2.gz XBZLFRUNDFKGTP-ROUUACIJSA-N 2 1 379.549 0.168 20 0 GCADMP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000658180358 1187253372 /nfs/dbraw/zinc/25/33/72/1187253372.db2.gz XBZLFRUNDFKGTP-ZWKOTPCHSA-N 2 1 379.549 0.168 20 0 GCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000658400743 1187284886 /nfs/dbraw/zinc/28/48/86/1187284886.db2.gz FQASAYYOTNTSPL-UHFFFAOYSA-N 2 1 382.549 0.482 20 0 GCADMP CC[NH+](CC)CC1CCN(C(=O)C(=O)N2CC[N@@H+](CCO)C(C)(C)C2)CC1 ZINC000658400743 1187284888 /nfs/dbraw/zinc/28/48/88/1187284888.db2.gz FQASAYYOTNTSPL-UHFFFAOYSA-N 2 1 382.549 0.482 20 0 GCADMP C[NH+](C)CCn1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)n1 ZINC000658649836 1187398750 /nfs/dbraw/zinc/39/87/50/1187398750.db2.gz RSGBJSGKQNPRGO-OAHLLOKOSA-N 2 1 376.505 0.906 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000612221986 1187410753 /nfs/dbraw/zinc/41/07/53/1187410753.db2.gz XVRUUOXOOXOLBJ-LJQANCHMSA-N 2 1 387.528 0.962 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3CC[NH+](Cc4ccncc4)CC3)[C@H]2C1 ZINC000612223819 1187412019 /nfs/dbraw/zinc/41/20/19/1187412019.db2.gz LORFNMLXTNSOLB-PMACEKPBSA-N 2 1 399.539 0.962 20 0 GCADMP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000612225749 1187412423 /nfs/dbraw/zinc/41/24/23/1187412423.db2.gz CHZAMEWAVDRIBP-UHFFFAOYSA-N 2 1 399.539 0.964 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375800511 1187421932 /nfs/dbraw/zinc/42/19/32/1187421932.db2.gz BGJDDYXIXRAPNN-IAGOWNOFSA-N 2 1 382.505 0.520 20 0 GCADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000375800511 1187421936 /nfs/dbraw/zinc/42/19/36/1187421936.db2.gz BGJDDYXIXRAPNN-IAGOWNOFSA-N 2 1 382.505 0.520 20 0 GCADMP CCC[N@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000658776622 1187456074 /nfs/dbraw/zinc/45/60/74/1187456074.db2.gz BYCKNRFZCSHDCP-LJQANCHMSA-N 2 1 387.528 0.973 20 0 GCADMP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000612445250 1187492532 /nfs/dbraw/zinc/49/25/32/1187492532.db2.gz WVDIMHVDEVVTHM-KRWDZBQOSA-N 3 1 381.565 0.461 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000612445401 1187492988 /nfs/dbraw/zinc/49/29/88/1187492988.db2.gz ZPOFFUSSLHXBCC-KRWDZBQOSA-N 2 1 392.544 0.833 20 0 GCADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000612445401 1187492992 /nfs/dbraw/zinc/49/29/92/1187492992.db2.gz ZPOFFUSSLHXBCC-KRWDZBQOSA-N 2 1 392.544 0.833 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000612481886 1187502752 /nfs/dbraw/zinc/50/27/52/1187502752.db2.gz GMUDIBNJYNOMMN-IAGOWNOFSA-N 2 1 382.549 0.527 20 0 GCADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)[C@H](C)C1 ZINC000612481886 1187502753 /nfs/dbraw/zinc/50/27/53/1187502753.db2.gz GMUDIBNJYNOMMN-IAGOWNOFSA-N 2 1 382.549 0.527 20 0 GCADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000612484490 1187505670 /nfs/dbraw/zinc/50/56/70/1187505670.db2.gz AZUDJXDVESHMPN-OKZBNKHCSA-N 2 1 382.549 0.839 20 0 GCADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000570058182 1187510942 /nfs/dbraw/zinc/51/09/42/1187510942.db2.gz PUBQBEJGBLJRCM-KRWDZBQOSA-N 3 1 379.549 0.119 20 0 GCADMP CCC[N@H+]1CC[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000612546586 1187522893 /nfs/dbraw/zinc/52/28/93/1187522893.db2.gz UGJZFRHHKQZDAC-FGTMMUONSA-N 2 1 379.549 0.071 20 0 GCADMP C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)CC[C@H]21 ZINC000612595560 1187534638 /nfs/dbraw/zinc/53/46/38/1187534638.db2.gz IVLUNMHEPCZXRS-BPQIPLTHSA-N 2 1 378.517 0.299 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000612595263 1187535421 /nfs/dbraw/zinc/53/54/21/1187535421.db2.gz FRBMXDXDXPOAIF-ROUUACIJSA-N 2 1 380.533 0.689 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000612597000 1187536603 /nfs/dbraw/zinc/53/66/03/1187536603.db2.gz ZKTFAFSTBAEORW-IEBWSBKVSA-N 2 1 392.544 0.546 20 0 GCADMP C[N@@H+](CCCO)C1CCN(C(=O)C(=O)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000612776055 1187579093 /nfs/dbraw/zinc/57/90/93/1187579093.db2.gz FXRCJFMRUIYFCC-UHFFFAOYSA-N 2 1 394.560 0.530 20 0 GCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000612776048 1187579339 /nfs/dbraw/zinc/57/93/39/1187579339.db2.gz FSYWOZIZAXAKMR-UHFFFAOYSA-N 2 1 392.544 0.548 20 0 GCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000612776673 1187582226 /nfs/dbraw/zinc/58/22/26/1187582226.db2.gz NKRZXCHSZLWPLQ-LJQANCHMSA-N 2 1 392.544 0.405 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000612778017 1187584818 /nfs/dbraw/zinc/58/48/18/1187584818.db2.gz UYWYELOUWOVDMW-UHFFFAOYSA-N 2 1 393.576 0.321 20 0 GCADMP C[N@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612876648 1187610003 /nfs/dbraw/zinc/61/00/03/1187610003.db2.gz MNEPPKKHGWZNLO-JKSUJKDBSA-N 2 1 375.521 0.803 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000612880793 1187611015 /nfs/dbraw/zinc/61/10/15/1187611015.db2.gz JYQBCUQAULKCFT-JKSUJKDBSA-N 2 1 387.532 0.945 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000613080438 1187659716 /nfs/dbraw/zinc/65/97/16/1187659716.db2.gz PXOMWYGYOKIZTK-KURKYZTESA-N 2 1 388.516 0.745 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000613080438 1187659723 /nfs/dbraw/zinc/65/97/23/1187659723.db2.gz PXOMWYGYOKIZTK-KURKYZTESA-N 2 1 388.516 0.745 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000613080438 1187659725 /nfs/dbraw/zinc/65/97/25/1187659725.db2.gz PXOMWYGYOKIZTK-KURKYZTESA-N 2 1 388.516 0.745 20 0 GCADMP C(C1CC1)n1c([C@@H]2C[N@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+]2CCOC[C@H]2C1 ZINC000613080438 1187659728 /nfs/dbraw/zinc/65/97/28/1187659728.db2.gz PXOMWYGYOKIZTK-KURKYZTESA-N 2 1 388.516 0.745 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)C[C@H](C)O1 ZINC000431778802 1187705956 /nfs/dbraw/zinc/70/59/56/1187705956.db2.gz NMOZKICVERHVMC-HDICACEKSA-N 2 1 397.564 0.777 20 0 GCADMP COCC[NH+](CCOC)C1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000376343974 1187779211 /nfs/dbraw/zinc/77/92/11/1187779211.db2.gz MOEXQEFSAJWDPP-RTBURBONSA-N 2 1 398.548 0.618 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000332818864 1187784339 /nfs/dbraw/zinc/78/43/39/1187784339.db2.gz WPAZZQXWGUWIPI-KSZLIROESA-N 2 1 378.517 0.443 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000332818864 1187784343 /nfs/dbraw/zinc/78/43/43/1187784343.db2.gz WPAZZQXWGUWIPI-KSZLIROESA-N 2 1 378.517 0.443 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cn1 ZINC000658962325 1187820579 /nfs/dbraw/zinc/82/05/79/1187820579.db2.gz IPSYSCRWPGELML-SFHVURJKSA-N 2 1 384.484 0.774 20 0 GCADMP C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2)cn1 ZINC000658962325 1187820584 /nfs/dbraw/zinc/82/05/84/1187820584.db2.gz IPSYSCRWPGELML-SFHVURJKSA-N 2 1 384.484 0.774 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)n1 ZINC000658986864 1187832035 /nfs/dbraw/zinc/83/20/35/1187832035.db2.gz IMLDKKLGNQJSDS-UHFFFAOYSA-N 2 1 386.456 0.837 20 0 GCADMP C[C@@H]1C[NH+](CC2CCN(C(=O)C(=O)N3CC[N@H+]4CCC[C@@H]4C3)CC2)C[C@H](C)O1 ZINC000658993226 1187834124 /nfs/dbraw/zinc/83/41/24/1187834124.db2.gz IXRAWMYAAIFPMH-ZIFCJYIRSA-N 2 1 392.544 0.641 20 0 GCADMP O=C(Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659096931 1187877700 /nfs/dbraw/zinc/87/77/00/1187877700.db2.gz FPTGZDRLKPCAMX-DLBZAZTESA-N 2 1 382.468 0.747 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000659113757 1187890009 /nfs/dbraw/zinc/89/00/09/1187890009.db2.gz YBFPDSYVJBTNOH-HNNXBMFYSA-N 2 1 387.484 0.636 20 0 GCADMP CCCN(C(=O)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000647568663 1187895131 /nfs/dbraw/zinc/89/51/31/1187895131.db2.gz QVWPMBVUWXFLIK-QZTJIDSGSA-N 2 1 380.533 0.500 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000659159710 1187904017 /nfs/dbraw/zinc/90/40/17/1187904017.db2.gz YKIWWFADXHOCBW-KRWDZBQOSA-N 2 1 380.533 0.500 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345081 1187945402 /nfs/dbraw/zinc/94/54/02/1187945402.db2.gz YNZPOWLQCRQITN-MOPGFXCFSA-N 2 1 393.576 0.556 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345081 1187945403 /nfs/dbraw/zinc/94/54/03/1187945403.db2.gz YNZPOWLQCRQITN-MOPGFXCFSA-N 2 1 393.576 0.556 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000659345057 1187945454 /nfs/dbraw/zinc/94/54/54/1187945454.db2.gz VRMHIKUHLRQYKK-PKOBYXMFSA-N 2 1 393.576 0.602 20 0 GCADMP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000659345057 1187945456 /nfs/dbraw/zinc/94/54/56/1187945456.db2.gz VRMHIKUHLRQYKK-PKOBYXMFSA-N 2 1 393.576 0.602 20 0 GCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659344805 1187946624 /nfs/dbraw/zinc/94/66/24/1187946624.db2.gz KWRFYSGPJMOSHS-SFHVURJKSA-N 2 1 379.549 0.168 20 0 GCADMP CN(CC[NH+]1CCCC1)C(=O)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000659344805 1187946628 /nfs/dbraw/zinc/94/66/28/1187946628.db2.gz KWRFYSGPJMOSHS-SFHVURJKSA-N 2 1 379.549 0.168 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000659376368 1187950813 /nfs/dbraw/zinc/95/08/13/1187950813.db2.gz BDVOKWXKEKHEKY-LJQANCHMSA-N 2 1 390.528 0.756 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000659376367 1187950899 /nfs/dbraw/zinc/95/08/99/1187950899.db2.gz BDVOKWXKEKHEKY-IBGZPJMESA-N 2 1 390.528 0.756 20 0 GCADMP C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)[NH+]1CCN(c2ccccc2)CC1 ZINC000659434015 1187957328 /nfs/dbraw/zinc/95/73/28/1187957328.db2.gz FCIBYINLISZUJU-HNNXBMFYSA-N 2 1 399.499 0.651 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000659452273 1187961228 /nfs/dbraw/zinc/96/12/28/1187961228.db2.gz OKLJIHXZUZXQDE-KRWDZBQOSA-N 2 1 379.549 0.960 20 0 GCADMP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000659513459 1187967457 /nfs/dbraw/zinc/96/74/57/1187967457.db2.gz YDFVFQDSZZUXQU-KBAYOESNSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1CCN(C(=O)C(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)[C@H](C[NH3+])C1 ZINC000659676523 1187994602 /nfs/dbraw/zinc/99/46/02/1187994602.db2.gz HCWFHYKTAOWRJF-MNEFBYGVSA-N 2 1 388.512 0.455 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCCO1 ZINC000659676839 1187995167 /nfs/dbraw/zinc/99/51/67/1187995167.db2.gz JQSGNDNLWYHXSG-HKUYNNGSSA-N 2 1 394.560 0.842 20 0 GCADMP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)n1 ZINC000659688614 1187997370 /nfs/dbraw/zinc/99/73/70/1187997370.db2.gz CRDMPZFQUPTUJO-OAHLLOKOSA-N 2 1 390.488 0.170 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659689553 1187998116 /nfs/dbraw/zinc/99/81/16/1187998116.db2.gz CRDXCKOZGQZZBW-HRCADAONSA-N 2 1 376.501 0.636 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659698404 1187999488 /nfs/dbraw/zinc/99/94/88/1187999488.db2.gz NAPKCJRQDUCQAC-WMZOPIPTSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000659698404 1187999491 /nfs/dbraw/zinc/99/94/91/1187999491.db2.gz NAPKCJRQDUCQAC-WMZOPIPTSA-N 2 1 375.517 0.206 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000659698404 1187999494 /nfs/dbraw/zinc/99/94/94/1187999494.db2.gz NAPKCJRQDUCQAC-WMZOPIPTSA-N 2 1 375.517 0.206 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659697478 1188001833 /nfs/dbraw/zinc/00/18/33/1188001833.db2.gz HYIRICDEAUDUIT-GOSISDBHSA-N 2 1 389.544 0.677 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000659697478 1188001850 /nfs/dbraw/zinc/00/18/50/1188001850.db2.gz HYIRICDEAUDUIT-GOSISDBHSA-N 2 1 389.544 0.677 20 0 GCADMP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000659697478 1188001855 /nfs/dbraw/zinc/00/18/55/1188001855.db2.gz HYIRICDEAUDUIT-GOSISDBHSA-N 2 1 389.544 0.677 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659697204 1188001952 /nfs/dbraw/zinc/00/19/52/1188001952.db2.gz QYMJVWDMZRHWOL-BPQIPLTHSA-N 2 1 376.501 0.506 20 0 GCADMP CC[C@H](NC(=O)C(=O)N[C@H](C)C[NH2+]C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659697204 1188001955 /nfs/dbraw/zinc/00/19/55/1188001955.db2.gz QYMJVWDMZRHWOL-BPQIPLTHSA-N 2 1 376.501 0.506 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000659698809 1188004363 /nfs/dbraw/zinc/00/43/63/1188004363.db2.gz MXZNZXLUOAHHHS-NVXWUHKLSA-N 2 1 376.501 0.588 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000659698809 1188004367 /nfs/dbraw/zinc/00/43/67/1188004367.db2.gz MXZNZXLUOAHHHS-NVXWUHKLSA-N 2 1 376.501 0.588 20 0 GCADMP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[NH+]1CCN(c2ccccc2)CC1 ZINC000659699094 1188004426 /nfs/dbraw/zinc/00/44/26/1188004426.db2.gz LDZJYEGXIZBLMH-KRWDZBQOSA-N 2 1 387.528 0.701 20 0 GCADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@H]2O)CC1 ZINC001025436240 1188008328 /nfs/dbraw/zinc/00/83/28/1188008328.db2.gz FWDCPSVUVDMDNR-VDHUWJSZSA-N 2 1 380.533 0.135 20 0 GCADMP C[NH2+]C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000659756343 1188021082 /nfs/dbraw/zinc/02/10/82/1188021082.db2.gz QVCDRZNVLLODJM-RYQLBKOJSA-N 2 1 381.565 0.506 20 0 GCADMP COCC[NH+]1CCC(NC(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000376695745 1188021645 /nfs/dbraw/zinc/02/16/45/1188021645.db2.gz UQCKXKPMYWMJLT-KRWDZBQOSA-N 2 1 381.521 0.045 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415373052 1188066122 /nfs/dbraw/zinc/06/61/22/1188066122.db2.gz WGGXZPPROVDRIP-UHFFFAOYSA-N 2 1 387.484 0.638 20 0 GCADMP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415379872 1188068494 /nfs/dbraw/zinc/06/84/94/1188068494.db2.gz OVTKMQLPRSUHGJ-SFHVURJKSA-N 2 1 399.495 0.780 20 0 GCADMP [NH3+]C[C@@H](NC(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1)C1CC1 ZINC000415453369 1188083967 /nfs/dbraw/zinc/08/39/67/1188083967.db2.gz NCZWWFOPNJYLCB-GOSISDBHSA-N 2 1 399.495 0.766 20 0 GCADMP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(ccn2CC[NH+]2CCOCC2)c1 ZINC000415471945 1188088249 /nfs/dbraw/zinc/08/82/49/1188088249.db2.gz STJGNNDNFBIWME-GOSISDBHSA-N 2 1 399.495 0.862 20 0 GCADMP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000893011706 1188099908 /nfs/dbraw/zinc/09/99/08/1188099908.db2.gz MDNYKOLEISAPDG-IPMKNSEASA-N 2 1 380.533 0.870 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[NH+]4CCO)C2)CC1 ZINC000893021057 1188102733 /nfs/dbraw/zinc/10/27/33/1188102733.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021057 1188102735 /nfs/dbraw/zinc/10/27/35/1188102735.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021057 1188102737 /nfs/dbraw/zinc/10/27/37/1188102737.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4CCO)C2)CC1 ZINC000893021057 1188102739 /nfs/dbraw/zinc/10/27/39/1188102739.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCC[N@H+]4CCO)C2)CC1 ZINC000893021057 1188102740 /nfs/dbraw/zinc/10/27/40/1188102740.db2.gz CTVIKRDLCZKVHG-WDSOQIARSA-N 3 1 379.549 0.396 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000415583887 1188111302 /nfs/dbraw/zinc/11/13/02/1188111302.db2.gz RUXNUBGAJHUVAZ-XKQJLSEDSA-N 2 1 387.484 0.711 20 0 GCADMP CC[NH+]1CCN(c2ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c(C)c2)CC1 ZINC000415614068 1188125535 /nfs/dbraw/zinc/12/55/35/1188125535.db2.gz NZMMPICZAFAQHT-UHFFFAOYSA-N 2 1 383.443 0.786 20 0 GCADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])c1 ZINC000415619255 1188127839 /nfs/dbraw/zinc/12/78/39/1188127839.db2.gz YIQGLIRPLMRVIN-UHFFFAOYSA-N 2 1 385.415 0.616 20 0 GCADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2C1 ZINC000415720766 1188151196 /nfs/dbraw/zinc/15/11/96/1188151196.db2.gz FNNYVFRIQILSDR-QGZVFWFLSA-N 2 1 385.512 0.857 20 0 GCADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)c2C1 ZINC000415720766 1188151199 /nfs/dbraw/zinc/15/11/99/1188151199.db2.gz FNNYVFRIQILSDR-QGZVFWFLSA-N 2 1 385.512 0.857 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415767305 1188160296 /nfs/dbraw/zinc/16/02/96/1188160296.db2.gz MMMMQDXPJSLAPN-PKOBYXMFSA-N 2 1 386.496 0.710 20 0 GCADMP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415767050 1188160307 /nfs/dbraw/zinc/16/03/07/1188160307.db2.gz MMMMQDXPJSLAPN-MJGOQNOKSA-N 2 1 386.496 0.710 20 0 GCADMP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000472948078 1189451920 /nfs/dbraw/zinc/45/19/20/1189451920.db2.gz GNCNMXTVEVPYTB-KRWDZBQOSA-N 2 1 383.537 0.339 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893238610 1189508698 /nfs/dbraw/zinc/50/86/98/1189508698.db2.gz OADWDJSHXCYOQL-QYZOEREBSA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000893238610 1189508702 /nfs/dbraw/zinc/50/87/02/1189508702.db2.gz OADWDJSHXCYOQL-QYZOEREBSA-N 2 1 381.565 0.501 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000893238610 1189508703 /nfs/dbraw/zinc/50/87/03/1189508703.db2.gz OADWDJSHXCYOQL-QYZOEREBSA-N 2 1 381.565 0.501 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000378510889 1189523712 /nfs/dbraw/zinc/52/37/12/1189523712.db2.gz JEJBYCIGPVCVOG-QZTJIDSGSA-N 2 1 398.548 0.966 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000378528068 1189527777 /nfs/dbraw/zinc/52/77/77/1189527777.db2.gz HACIQNHBTSOGND-IAGOWNOFSA-N 2 1 397.545 0.632 20 0 GCADMP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000378528068 1189527780 /nfs/dbraw/zinc/52/77/80/1189527780.db2.gz HACIQNHBTSOGND-IAGOWNOFSA-N 2 1 397.545 0.632 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000378526455 1189528017 /nfs/dbraw/zinc/52/80/17/1189528017.db2.gz NTQJNIGINCEYLT-IPMKNSEASA-N 2 1 379.549 0.519 20 0 GCADMP COCCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000511571528 1189559233 /nfs/dbraw/zinc/55/92/33/1189559233.db2.gz HCQAYJJWTXTCDH-PKOBYXMFSA-N 2 1 390.528 0.660 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000511577745 1189575006 /nfs/dbraw/zinc/57/50/06/1189575006.db2.gz SBTRNYDONYDNLX-WMZOPIPTSA-N 2 1 376.501 0.318 20 0 GCADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951922 1189586492 /nfs/dbraw/zinc/58/64/92/1189586492.db2.gz VAIXVNIXVMHMJP-YJBOKZPZSA-N 2 1 377.533 0.665 20 0 GCADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000363951922 1189586497 /nfs/dbraw/zinc/58/64/97/1189586497.db2.gz VAIXVNIXVMHMJP-YJBOKZPZSA-N 2 1 377.533 0.665 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[NH+](C)C ZINC000416854721 1189589308 /nfs/dbraw/zinc/58/93/08/1189589308.db2.gz VGGGBNCIKRACPQ-RDJZCZTQSA-N 2 1 391.516 0.794 20 0 GCADMP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000416878606 1189590528 /nfs/dbraw/zinc/59/05/28/1189590528.db2.gz XSIFAKACAPZSPZ-LSDHHAIUSA-N 2 1 395.470 0.479 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000660113737 1189593267 /nfs/dbraw/zinc/59/32/67/1189593267.db2.gz FOVBORCLYCJPQP-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000660113737 1189593272 /nfs/dbraw/zinc/59/32/72/1189593272.db2.gz FOVBORCLYCJPQP-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000660113737 1189593278 /nfs/dbraw/zinc/59/32/78/1189593278.db2.gz FOVBORCLYCJPQP-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000660113737 1189593283 /nfs/dbraw/zinc/59/32/83/1189593283.db2.gz FOVBORCLYCJPQP-MSOLQXFVSA-N 2 1 379.549 0.023 20 0 GCADMP [NH3+]C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)C1CCCC1 ZINC000416941396 1189596289 /nfs/dbraw/zinc/59/62/89/1189596289.db2.gz BZDIVUXKDDCJCL-KRWDZBQOSA-N 2 1 375.521 0.805 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[NH+]1CCOCC1 ZINC000416947566 1189600179 /nfs/dbraw/zinc/60/01/79/1189600179.db2.gz GXPWOHTVJNRQGS-RTBURBONSA-N 2 1 381.565 0.813 20 0 GCADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCC[NH+]3CCN(c4ncccn4)CC3)C[C@@H]21 ZINC000416960467 1189600650 /nfs/dbraw/zinc/60/06/50/1189600650.db2.gz WGXXARTUHAKWKO-FGTMMUONSA-N 2 1 387.532 0.758 20 0 GCADMP C[C@H](NC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000416958663 1189602202 /nfs/dbraw/zinc/60/22/02/1189602202.db2.gz UGHFKIRRGKRPDY-IRXDYDNUSA-N 2 1 375.521 0.676 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)NCCN3CC[NH2+]CC3)cc2)CC1 ZINC000416999618 1189606573 /nfs/dbraw/zinc/60/65/73/1189606573.db2.gz XSSISLLOUMKTCW-UHFFFAOYSA-N 2 1 388.560 0.529 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000417016176 1189607966 /nfs/dbraw/zinc/60/79/66/1189607966.db2.gz HYYKJPFFACNUJF-IBGZPJMESA-N 2 1 375.517 0.482 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014813 1189608066 /nfs/dbraw/zinc/60/80/66/1189608066.db2.gz FYHUKMSCIUXZKW-MOPGFXCFSA-N 2 1 375.517 0.653 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014813 1189608068 /nfs/dbraw/zinc/60/80/68/1189608068.db2.gz FYHUKMSCIUXZKW-MOPGFXCFSA-N 2 1 375.517 0.653 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)NC[C@H]2C[NH2+]CCO2)[C@H](c2ccccc2)C1 ZINC000417014813 1189608072 /nfs/dbraw/zinc/60/80/72/1189608072.db2.gz FYHUKMSCIUXZKW-MOPGFXCFSA-N 2 1 375.517 0.653 20 0 GCADMP Cc1ccc(NCCCNC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)[nH+]c1 ZINC000417069337 1189613493 /nfs/dbraw/zinc/61/34/93/1189613493.db2.gz TWQISVCMUJUTBD-AWEZNQCLSA-N 2 1 388.438 1.327 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660160540 1189625348 /nfs/dbraw/zinc/62/53/48/1189625348.db2.gz MNRWVHWWXDNMPW-OKZBNKHCSA-N 2 1 379.549 0.166 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[C@@H]1C ZINC000660160540 1189625352 /nfs/dbraw/zinc/62/53/52/1189625352.db2.gz MNRWVHWWXDNMPW-OKZBNKHCSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)C[C@@H]1C ZINC000660160540 1189625355 /nfs/dbraw/zinc/62/53/55/1189625355.db2.gz MNRWVHWWXDNMPW-OKZBNKHCSA-N 2 1 379.549 0.166 20 0 GCADMP CC[NH+]1C[C@H](C)N(C(=O)C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C[C@@H]1C ZINC000660160540 1189625358 /nfs/dbraw/zinc/62/53/58/1189625358.db2.gz MNRWVHWWXDNMPW-OKZBNKHCSA-N 2 1 379.549 0.166 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000364036719 1189625435 /nfs/dbraw/zinc/62/54/35/1189625435.db2.gz LZWHRSZNNSPYCE-UZLBHIALSA-N 2 1 393.532 0.581 20 0 GCADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000417157291 1189625609 /nfs/dbraw/zinc/62/56/09/1189625609.db2.gz CXQGCKUAPSHWNF-SFHVURJKSA-N 2 1 389.500 0.899 20 0 GCADMP C[NH2+][C@H]1CCN(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000417168037 1189627161 /nfs/dbraw/zinc/62/71/61/1189627161.db2.gz YRZRPTCASWQAIY-SFHVURJKSA-N 2 1 389.500 0.851 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000417179536 1189629550 /nfs/dbraw/zinc/62/95/50/1189629550.db2.gz NGPRNXDSOHABIZ-UHFFFAOYSA-N 2 1 375.517 0.613 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3sccc3C2)C1 ZINC000417224779 1189632535 /nfs/dbraw/zinc/63/25/35/1189632535.db2.gz WGCKMPXPEBRHGL-OAHLLOKOSA-N 2 1 379.530 0.603 20 0 GCADMP [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)NCC[N@H+]2CCc3sccc3C2)C1 ZINC000417224779 1189632538 /nfs/dbraw/zinc/63/25/38/1189632538.db2.gz WGCKMPXPEBRHGL-OAHLLOKOSA-N 2 1 379.530 0.603 20 0 GCADMP C[C@H](CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000417307901 1189643869 /nfs/dbraw/zinc/64/38/69/1189643869.db2.gz CEOQJZONKFQDPM-VQIMIIECSA-N 2 1 387.528 0.930 20 0 GCADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC(C(=O)NCCC[NH+]3CCOCC3)CC2)C1 ZINC000575989606 1189661893 /nfs/dbraw/zinc/66/18/93/1189661893.db2.gz SAIUEIZBOHMZLQ-ZWKOTPCHSA-N 2 1 380.533 0.581 20 0 GCADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000582108068 1189676871 /nfs/dbraw/zinc/67/68/71/1189676871.db2.gz JORPBOHXXZFQBI-ROUUACIJSA-N 2 1 378.517 0.254 20 0 GCADMP O=C(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000582108069 1189677129 /nfs/dbraw/zinc/67/71/29/1189677129.db2.gz JORPBOHXXZFQBI-ZWKOTPCHSA-N 2 1 378.517 0.254 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000584808546 1189677220 /nfs/dbraw/zinc/67/72/20/1189677220.db2.gz VPHVXIWJYKICBA-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000584808546 1189677225 /nfs/dbraw/zinc/67/72/25/1189677225.db2.gz VPHVXIWJYKICBA-HNNXBMFYSA-N 2 1 380.533 0.281 20 0 GCADMP CC[NH+](CC)CC(=O)N1CCN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000364165362 1189687295 /nfs/dbraw/zinc/68/72/95/1189687295.db2.gz PYSKJTPJTUHALT-DLBZAZTESA-N 2 1 381.521 0.045 20 0 GCADMP COCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000417757712 1189702433 /nfs/dbraw/zinc/70/24/33/1189702433.db2.gz ULCRBJVAYWVEPG-IAGOWNOFSA-N 2 1 383.537 0.245 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000418079223 1189720125 /nfs/dbraw/zinc/72/01/25/1189720125.db2.gz QACNDDAAGBNICJ-GOSISDBHSA-N 2 1 377.558 0.808 20 0 GCADMP O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000418079223 1189720130 /nfs/dbraw/zinc/72/01/30/1189720130.db2.gz QACNDDAAGBNICJ-GOSISDBHSA-N 2 1 377.558 0.808 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000660342762 1189721526 /nfs/dbraw/zinc/72/15/26/1189721526.db2.gz UGZOFGKWGRITAT-IEBWSBKVSA-N 2 1 392.544 0.785 20 0 GCADMP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115037 1189723838 /nfs/dbraw/zinc/72/38/38/1189723838.db2.gz NELJSFIBAZPTIQ-SJORKVTESA-N 2 1 381.521 0.093 20 0 GCADMP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)CCCO1 ZINC000418115037 1189723842 /nfs/dbraw/zinc/72/38/42/1189723842.db2.gz NELJSFIBAZPTIQ-SJORKVTESA-N 2 1 381.521 0.093 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)CCCO1 ZINC000418119213 1189725220 /nfs/dbraw/zinc/72/52/20/1189725220.db2.gz UOPDWRVDUAYLMC-ROUUACIJSA-N 2 1 395.548 0.341 20 0 GCADMP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCCC[N@H+]3CCCO[C@@H](C)C3)C2)CC1 ZINC000364332749 1189751155 /nfs/dbraw/zinc/75/11/55/1189751155.db2.gz QKRRLHFFFVKMQF-RBUKOAKNSA-N 2 1 381.565 0.909 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500430799 1189850778 /nfs/dbraw/zinc/85/07/78/1189850778.db2.gz YWORJZCBURZUDC-IXDOHACOSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000500430799 1189850784 /nfs/dbraw/zinc/85/07/84/1189850784.db2.gz YWORJZCBURZUDC-IXDOHACOSA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567037 1189863764 /nfs/dbraw/zinc/86/37/64/1189863764.db2.gz UIPBCYRWPLVSAN-MJGOQNOKSA-N 2 1 375.517 0.563 20 0 GCADMP C[C@H](CNC(=O)NCC[N@H+]1CC[C@H](O)C1)[NH+]1CCN(c2ccccc2)CC1 ZINC000636567037 1189863771 /nfs/dbraw/zinc/86/37/71/1189863771.db2.gz UIPBCYRWPLVSAN-MJGOQNOKSA-N 2 1 375.517 0.563 20 0 GCADMP CN(C)CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652125541 1189902694 /nfs/dbraw/zinc/90/26/94/1189902694.db2.gz XUANIMWEWOGYKI-JENIJYKNSA-N 2 1 381.565 0.940 20 0 GCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[N@H+](C)C[C@@H](C)O4)C[C@H]32)CC1 ZINC000974906212 1189907595 /nfs/dbraw/zinc/90/75/95/1189907595.db2.gz KIFJSIQUYABAJJ-NCXUSEDFSA-N 2 1 392.544 0.497 20 0 GCADMP CC1CC[NH+](CC(=O)N2C[C@H]3CCN(C(=O)[C@H]4C[N@@H+](C)C[C@@H](C)O4)C[C@H]32)CC1 ZINC000974906212 1189907600 /nfs/dbraw/zinc/90/76/00/1189907600.db2.gz KIFJSIQUYABAJJ-NCXUSEDFSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]3CN(C(=O)COC4CC[NH+](C)CC4)[C@@H]3C2)CC[N@H+]1C ZINC000974926030 1189909990 /nfs/dbraw/zinc/90/99/90/1189909990.db2.gz MNOMEBBQLWQYMA-PSBWJHGTSA-N 2 1 392.544 0.497 20 0 GCADMP C[C@H]1CN(Cc2cccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)c2)CCO1 ZINC000636646123 1189921042 /nfs/dbraw/zinc/92/10/42/1189921042.db2.gz QWGPTYXXQWLQSB-LPHOPBHVSA-N 2 1 376.501 0.773 20 0 GCADMP C[C@H]1C[N@H+](Cc2cccc(CNC(=O)NCC[NH+]3CC[C@H](O)C3)c2)CCO1 ZINC000636646123 1189921044 /nfs/dbraw/zinc/92/10/44/1189921044.db2.gz QWGPTYXXQWLQSB-LPHOPBHVSA-N 2 1 376.501 0.773 20 0 GCADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)c2)CCO1 ZINC000636646123 1189921049 /nfs/dbraw/zinc/92/10/49/1189921049.db2.gz QWGPTYXXQWLQSB-LPHOPBHVSA-N 2 1 376.501 0.773 20 0 GCADMP C[C@H]1C[NH+](Cc2cccc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)c2)CCO1 ZINC000636646123 1189921051 /nfs/dbraw/zinc/92/10/51/1189921051.db2.gz QWGPTYXXQWLQSB-LPHOPBHVSA-N 2 1 376.501 0.773 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711771 1189939558 /nfs/dbraw/zinc/93/95/58/1189939558.db2.gz GSBJRGUYBFWSQZ-PKOBYXMFSA-N 2 1 379.549 0.707 20 0 GCADMP C[NH+]1CCC(N2CC[C@H](NC(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C2)CC1 ZINC000660711771 1189939560 /nfs/dbraw/zinc/93/95/60/1189939560.db2.gz GSBJRGUYBFWSQZ-PKOBYXMFSA-N 2 1 379.549 0.707 20 0 GCADMP Cn1ncc2c1ncnc2N1CCN(C(=O)CN(C2CC2)C2(CO)CCC2)CC1 ZINC000660773010 1189948666 /nfs/dbraw/zinc/94/86/66/1189948666.db2.gz PVWWPOJUDCKVOS-UHFFFAOYSA-N 2 1 399.499 0.391 20 0 GCADMP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000660861445 1189958525 /nfs/dbraw/zinc/95/85/25/1189958525.db2.gz DWMTWNHLYXWNMO-FQEVSTJZSA-N 2 1 393.576 0.814 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900233 1189964007 /nfs/dbraw/zinc/96/40/07/1189964007.db2.gz KRLYUKOEVHYLNK-FXAWDEMLSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900233 1189964008 /nfs/dbraw/zinc/96/40/08/1189964008.db2.gz KRLYUKOEVHYLNK-FXAWDEMLSA-N 2 1 378.517 0.111 20 0 GCADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)C1 ZINC000660900233 1189964011 /nfs/dbraw/zinc/96/40/11/1189964011.db2.gz KRLYUKOEVHYLNK-FXAWDEMLSA-N 2 1 378.517 0.111 20 0 GCADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000661232742 1190020215 /nfs/dbraw/zinc/02/02/15/1190020215.db2.gz OLPXUCSTMOUVDE-QYZOEREBSA-N 2 1 391.560 0.310 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000661232742 1190020220 /nfs/dbraw/zinc/02/02/20/1190020220.db2.gz OLPXUCSTMOUVDE-QYZOEREBSA-N 2 1 391.560 0.310 20 0 GCADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000661232742 1190020226 /nfs/dbraw/zinc/02/02/26/1190020226.db2.gz OLPXUCSTMOUVDE-QYZOEREBSA-N 2 1 391.560 0.310 20 0 GCADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000662817248 1190040036 /nfs/dbraw/zinc/04/00/36/1190040036.db2.gz SNSZAEKBFMWKIN-ULQDDVLXSA-N 2 1 393.438 0.711 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@@H+]1C ZINC000976757872 1190060684 /nfs/dbraw/zinc/06/06/84/1190060684.db2.gz WPJZZEHMSCCRMJ-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC[N@H+]1C ZINC000976757872 1190060687 /nfs/dbraw/zinc/06/06/87/1190060687.db2.gz WPJZZEHMSCCRMJ-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC[NH+]1C ZINC000976757872 1190060692 /nfs/dbraw/zinc/06/06/92/1190060692.db2.gz WPJZZEHMSCCRMJ-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC[NH+]1C ZINC000976757872 1190060694 /nfs/dbraw/zinc/06/06/94/1190060694.db2.gz WPJZZEHMSCCRMJ-AXFXYBNUSA-N 2 1 378.517 0.009 20 0 GCADMP C[C@H]([C@H](C)NC(=O)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)N1CCOCC1 ZINC000246544972 1193723400 /nfs/dbraw/zinc/72/34/00/1193723400.db2.gz XTDBVOUKVUCYNT-SQGPQFPESA-N 2 1 390.528 0.814 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246736857 1193726681 /nfs/dbraw/zinc/72/66/81/1193726681.db2.gz YATUFVOWIJXLLT-QZTJIDSGSA-N 2 1 389.548 0.970 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000246736857 1193726685 /nfs/dbraw/zinc/72/66/85/1193726685.db2.gz YATUFVOWIJXLLT-QZTJIDSGSA-N 2 1 389.548 0.970 20 0 GCADMP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC2CC[NH+](CCO)CC2)CCC[N@H+]1C ZINC000500876192 1193735107 /nfs/dbraw/zinc/73/51/07/1193735107.db2.gz MQYCZBFZSTTZNC-PKOBYXMFSA-N 2 1 392.548 0.807 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@@H+]1CCc2sccc2C1 ZINC000419228080 1193735269 /nfs/dbraw/zinc/73/52/69/1193735269.db2.gz GHWOGLDUYSDNAS-DZGCQCFKSA-N 2 1 380.514 0.187 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2sccc2C1 ZINC000419228080 1193735274 /nfs/dbraw/zinc/73/52/74/1193735274.db2.gz GHWOGLDUYSDNAS-DZGCQCFKSA-N 2 1 380.514 0.187 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000419232341 1193742198 /nfs/dbraw/zinc/74/21/98/1193742198.db2.gz UMIJONYREROOOS-RTBURBONSA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419232341 1193742203 /nfs/dbraw/zinc/74/22/03/1193742203.db2.gz UMIJONYREROOOS-RTBURBONSA-N 2 1 385.512 0.935 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000419232341 1193742206 /nfs/dbraw/zinc/74/22/06/1193742206.db2.gz UMIJONYREROOOS-RTBURBONSA-N 2 1 385.512 0.935 20 0 GCADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419233973 1193745221 /nfs/dbraw/zinc/74/52/21/1193745221.db2.gz XAHLQPOYMJKDOM-PKOBYXMFSA-N 2 1 387.528 0.035 20 0 GCADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419264418 1193774037 /nfs/dbraw/zinc/77/40/37/1193774037.db2.gz BCYMQWISVUFNIB-IBGZPJMESA-N 2 1 390.528 0.967 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266840 1193775889 /nfs/dbraw/zinc/77/58/89/1193775889.db2.gz HZBFWPCXDHTWDT-LPHOPBHVSA-N 2 1 388.512 0.863 20 0 GCADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419266839 1193775960 /nfs/dbraw/zinc/77/59/60/1193775960.db2.gz HZBFWPCXDHTWDT-APWZRJJASA-N 2 1 388.512 0.863 20 0 GCADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000419269405 1193777534 /nfs/dbraw/zinc/77/75/34/1193777534.db2.gz OKSRLUPLFHRXFT-OALUTQOASA-N 2 1 388.512 0.769 20 0 GCADMP CC[NH+]1CCN(C(=O)[C@@H](C)N2CCC([NH+](CCOC)CCOC)CC2)CC1 ZINC000512812011 1193778053 /nfs/dbraw/zinc/77/80/53/1193778053.db2.gz OGEZTFRPEOCPBB-GOSISDBHSA-N 2 1 384.565 0.598 20 0 GCADMP C[C@H]1CCN(C(=O)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)C[C@H]1C[NH3+] ZINC000419275543 1193779715 /nfs/dbraw/zinc/77/97/15/1193779715.db2.gz YWZNGKSGQYNNQQ-QFBILLFUSA-N 2 1 388.512 0.578 20 0 GCADMP [NH3+]C[C@H](NC(=O)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1)C1CCCC1 ZINC000419273239 1193780066 /nfs/dbraw/zinc/78/00/66/1193780066.db2.gz WQVIWYPUCHSTRK-IBGZPJMESA-N 2 1 388.512 0.769 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000512836710 1193786109 /nfs/dbraw/zinc/78/61/09/1193786109.db2.gz BGTMKJRPJIMPER-LJQANCHMSA-N 2 1 381.565 0.646 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000664063315 1193799781 /nfs/dbraw/zinc/79/97/81/1193799781.db2.gz PQVVAOIOMZTKEP-GOSISDBHSA-N 2 1 395.548 0.435 20 0 GCADMP CCCNC(=O)CN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433286781 1193802450 /nfs/dbraw/zinc/80/24/50/1193802450.db2.gz JMTQUGYUYXBJRZ-QGZVFWFLSA-N 2 1 397.564 0.777 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433286781 1193802455 /nfs/dbraw/zinc/80/24/55/1193802455.db2.gz JMTQUGYUYXBJRZ-QGZVFWFLSA-N 2 1 397.564 0.777 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000433286781 1193802457 /nfs/dbraw/zinc/80/24/57/1193802457.db2.gz JMTQUGYUYXBJRZ-QGZVFWFLSA-N 2 1 397.564 0.777 20 0 GCADMP CCCNC(=O)CN1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433286780 1193802646 /nfs/dbraw/zinc/80/26/46/1193802646.db2.gz JMTQUGYUYXBJRZ-KRWDZBQOSA-N 2 1 397.564 0.777 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433286780 1193802650 /nfs/dbraw/zinc/80/26/50/1193802650.db2.gz JMTQUGYUYXBJRZ-KRWDZBQOSA-N 2 1 397.564 0.777 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433286780 1193802653 /nfs/dbraw/zinc/80/26/53/1193802653.db2.gz JMTQUGYUYXBJRZ-KRWDZBQOSA-N 2 1 397.564 0.777 20 0 GCADMP CCN1CC[NH+](Cc2ccc(CNC(=O)C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000419326414 1193820028 /nfs/dbraw/zinc/82/00/28/1193820028.db2.gz CDWYFNSGHGPJMA-UHFFFAOYSA-N 2 1 387.528 0.438 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000419340437 1193836146 /nfs/dbraw/zinc/83/61/46/1193836146.db2.gz NHONFTXRIOCTGW-LJQANCHMSA-N 2 1 387.528 0.261 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419346795 1193841373 /nfs/dbraw/zinc/84/13/73/1193841373.db2.gz VWWYIQGSTIPRMW-BGYRXZFFSA-N 2 1 399.539 0.118 20 0 GCADMP CC[NH2+]CCNC(=O)C(=O)NCc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000419347368 1193842497 /nfs/dbraw/zinc/84/24/97/1193842497.db2.gz WMYFRLDKATUJKE-UHFFFAOYSA-N 2 1 375.517 0.166 20 0 GCADMP Cc1nc(C[NH+]2CCC(CNC(=O)N3C[C@H](O)[C@@H]([NH+](C)C)C3)CC2)oc1C ZINC000664087081 1193846607 /nfs/dbraw/zinc/84/66/07/1193846607.db2.gz GRYBHUFEYSQUHV-IRXDYDNUSA-N 2 1 379.505 0.820 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419350241 1193846810 /nfs/dbraw/zinc/84/68/10/1193846810.db2.gz WHLDVVDXRMFABO-MRXNPFEDSA-N 2 1 395.548 0.119 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857267 /nfs/dbraw/zinc/85/72/67/1193857267.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857270 /nfs/dbraw/zinc/85/72/70/1193857270.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857273 /nfs/dbraw/zinc/85/72/73/1193857273.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCC([N@@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857278 /nfs/dbraw/zinc/85/72/78/1193857278.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCC([N@H+]4CC[C@H](O)C4)CC3)C2)CC1 ZINC000664131505 1193857282 /nfs/dbraw/zinc/85/72/82/1193857282.db2.gz ZSGGPXJPIMEEQX-APWZRJJASA-N 3 1 379.549 0.396 20 0 GCADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)N3CCC([NH+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857430 /nfs/dbraw/zinc/85/74/30/1193857430.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857432 /nfs/dbraw/zinc/85/74/32/1193857432.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 2 1 379.549 0.396 20 0 GCADMP CN1CCC([NH+]2CC[C@@H](NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857436 /nfs/dbraw/zinc/85/74/36/1193857436.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCC([N@@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857439 /nfs/dbraw/zinc/85/74/39/1193857439.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 2 1 379.549 0.396 20 0 GCADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)N3CCC([N@H+]4CC[C@@H](O)C4)CC3)C2)CC1 ZINC000664131508 1193857442 /nfs/dbraw/zinc/85/74/42/1193857442.db2.gz ZSGGPXJPIMEEQX-VQIMIIECSA-N 3 1 379.549 0.396 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000652702877 1193861379 /nfs/dbraw/zinc/86/13/79/1193861379.db2.gz GDYVGWMXTBULJJ-RCCFBDPRSA-N 2 1 390.528 0.849 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000652702877 1193861392 /nfs/dbraw/zinc/86/13/92/1193861392.db2.gz GDYVGWMXTBULJJ-RCCFBDPRSA-N 2 1 390.528 0.849 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000419387736 1193897666 /nfs/dbraw/zinc/89/76/66/1193897666.db2.gz CYIVZXNIKCCBCI-SJORKVTESA-N 2 1 376.526 0.574 20 0 GCADMP [NH3+][C@@H](CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000419387736 1193897675 /nfs/dbraw/zinc/89/76/75/1193897675.db2.gz CYIVZXNIKCCBCI-SJORKVTESA-N 2 1 376.526 0.574 20 0 GCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419389460 1193900373 /nfs/dbraw/zinc/90/03/73/1193900373.db2.gz FIJUUWUUHINTCV-YLJYHZDGSA-N 2 1 390.553 0.918 20 0 GCADMP C[C@]1(C[NH3+])CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419389460 1193900375 /nfs/dbraw/zinc/90/03/75/1193900375.db2.gz FIJUUWUUHINTCV-YLJYHZDGSA-N 2 1 390.553 0.918 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419390164 1193901043 /nfs/dbraw/zinc/90/10/43/1193901043.db2.gz GCENFXVNYUQRCT-QZTJIDSGSA-N 2 1 390.553 0.979 20 0 GCADMP O=C(NCC[C@H]1CCC[NH2+]1)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419390164 1193901044 /nfs/dbraw/zinc/90/10/44/1193901044.db2.gz GCENFXVNYUQRCT-QZTJIDSGSA-N 2 1 390.553 0.979 20 0 GCADMP CC[NH+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000549924070 1193901519 /nfs/dbraw/zinc/90/15/19/1193901519.db2.gz REAWEWXYDWGHII-GOSISDBHSA-N 2 1 389.544 0.771 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000419391476 1193904940 /nfs/dbraw/zinc/90/49/40/1193904940.db2.gz HLKGNAOYGNZMCJ-DOTOQJQBSA-N 2 1 378.542 0.692 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000419391476 1193904941 /nfs/dbraw/zinc/90/49/41/1193904941.db2.gz HLKGNAOYGNZMCJ-DOTOQJQBSA-N 2 1 378.542 0.692 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000419393724 1193919290 /nfs/dbraw/zinc/91/92/90/1193919290.db2.gz NSYLADJBRXRQTK-UHFFFAOYSA-N 2 1 376.501 0.292 20 0 GCADMP CC1(C)NC(=O)N(CCC[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1=O ZINC000513219085 1193923076 /nfs/dbraw/zinc/92/30/76/1193923076.db2.gz NONGGUNBSFCLKC-LSDHHAIUSA-N 2 1 379.505 0.287 20 0 GCADMP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000549936410 1193949127 /nfs/dbraw/zinc/94/91/27/1193949127.db2.gz BLLKMEZCVBDGBF-SFHVURJKSA-N 2 1 393.576 0.653 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CC(C)(C)C[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000513464529 1193953726 /nfs/dbraw/zinc/95/37/26/1193953726.db2.gz ZJAUZHVUBIXYLL-MRXNPFEDSA-N 2 1 384.565 0.896 20 0 GCADMP O=C(NC[C@@H]1CCC[N@H+]([C@@H]2CCN(C3CCOCC3)C2=O)C1)[C@H]1CCC[NH2+]1 ZINC000261797155 1193963340 /nfs/dbraw/zinc/96/33/40/1193963340.db2.gz IOOJMLYIERQZDN-CGTJXYLNSA-N 2 1 378.517 0.347 20 0 GCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419399981 1194019426 /nfs/dbraw/zinc/01/94/26/1194019426.db2.gz KYTIUIPSFGCKNC-IRXDYDNUSA-N 2 1 376.526 0.527 20 0 GCADMP [NH3+]C[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419399981 1194019428 /nfs/dbraw/zinc/01/94/28/1194019428.db2.gz KYTIUIPSFGCKNC-IRXDYDNUSA-N 2 1 376.526 0.527 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000419400635 1194019457 /nfs/dbraw/zinc/01/94/57/1194019457.db2.gz MWRVQDXVOWUDAK-RYQLBKOJSA-N 2 1 390.553 0.916 20 0 GCADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000419400635 1194019461 /nfs/dbraw/zinc/01/94/61/1194019461.db2.gz MWRVQDXVOWUDAK-RYQLBKOJSA-N 2 1 390.553 0.916 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000419401762 1194020468 /nfs/dbraw/zinc/02/04/68/1194020468.db2.gz PLAQGSHSKGCHRO-MRXNPFEDSA-N 2 1 376.526 0.718 20 0 GCADMP [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)CCC1 ZINC000419401762 1194020471 /nfs/dbraw/zinc/02/04/71/1194020471.db2.gz PLAQGSHSKGCHRO-MRXNPFEDSA-N 2 1 376.526 0.718 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CCN1 ZINC000419404528 1194020668 /nfs/dbraw/zinc/02/06/68/1194020668.db2.gz TXMQTSLOBPGRDR-RDJZCZTQSA-N 2 1 376.526 0.541 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419404253 1194020801 /nfs/dbraw/zinc/02/08/01/1194020801.db2.gz SQVAWRNCRHCLQI-FGTMMUONSA-N 2 1 388.537 0.398 20 0 GCADMP O=C(NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419404253 1194020805 /nfs/dbraw/zinc/02/08/05/1194020805.db2.gz SQVAWRNCRHCLQI-FGTMMUONSA-N 2 1 388.537 0.398 20 0 GCADMP C[N@@H+](CCCNC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)C1CCCCC1 ZINC000419402993 1194021004 /nfs/dbraw/zinc/02/10/04/1194021004.db2.gz CVXKWCUBWYNBQC-INIZCTEOSA-N 2 1 395.548 0.071 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CCN1 ZINC000419404529 1194021073 /nfs/dbraw/zinc/02/10/73/1194021073.db2.gz TXMQTSLOBPGRDR-WBVHZDCISA-N 2 1 376.526 0.541 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419406437 1194021948 /nfs/dbraw/zinc/02/19/48/1194021948.db2.gz WVMXMQQQLLOYCZ-QXAKKESOSA-N 2 1 388.512 0.508 20 0 GCADMP C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000419419316 1194022490 /nfs/dbraw/zinc/02/24/90/1194022490.db2.gz JEDDCUAGGPIJJD-QAPCUYQASA-N 2 1 388.512 0.780 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419419644 1194022974 /nfs/dbraw/zinc/02/29/74/1194022974.db2.gz SDRAOHSVLHXIAY-QRVBRYPASA-N 2 1 388.512 0.650 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419419644 1194022979 /nfs/dbraw/zinc/02/29/79/1194022979.db2.gz SDRAOHSVLHXIAY-QRVBRYPASA-N 2 1 388.512 0.650 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000419421714 1194023753 /nfs/dbraw/zinc/02/37/53/1194023753.db2.gz PJTMKAMWJNYCTH-IEBWSBKVSA-N 2 1 387.528 0.116 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000419420458 1194023843 /nfs/dbraw/zinc/02/38/43/1194023843.db2.gz NAPOKKONPBTGPU-MJGOQNOKSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000419420458 1194023848 /nfs/dbraw/zinc/02/38/48/1194023848.db2.gz NAPOKKONPBTGPU-MJGOQNOKSA-N 2 1 389.544 0.453 20 0 GCADMP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000419420458 1194023853 /nfs/dbraw/zinc/02/38/53/1194023853.db2.gz NAPOKKONPBTGPU-MJGOQNOKSA-N 2 1 389.544 0.453 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419423601 1194025347 /nfs/dbraw/zinc/02/53/47/1194025347.db2.gz YRFGZYFTBFQXCQ-QRVBRYPASA-N 2 1 388.512 0.732 20 0 GCADMP CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419423601 1194025352 /nfs/dbraw/zinc/02/53/52/1194025352.db2.gz YRFGZYFTBFQXCQ-QRVBRYPASA-N 2 1 388.512 0.732 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000419424340 1194025433 /nfs/dbraw/zinc/02/54/33/1194025433.db2.gz TVWDEGMZTKHXMV-QGZVFWFLSA-N 2 1 375.517 0.022 20 0 GCADMP O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)C(=O)NC1CC[NH2+]CC1 ZINC000419427561 1194026553 /nfs/dbraw/zinc/02/65/53/1194026553.db2.gz ZGHVFECCHPNJFF-UHFFFAOYSA-N 2 1 387.528 0.179 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427549 1194026768 /nfs/dbraw/zinc/02/67/68/1194026768.db2.gz ZFDBBASXXXRLMP-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427549 1194026772 /nfs/dbraw/zinc/02/67/72/1194026772.db2.gz ZFDBBASXXXRLMP-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000419427549 1194026775 /nfs/dbraw/zinc/02/67/75/1194026775.db2.gz ZFDBBASXXXRLMP-OALUTQOASA-N 2 1 387.528 0.350 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000419409571 1194028558 /nfs/dbraw/zinc/02/85/58/1194028558.db2.gz FIHHJDFJJPHHHM-CEXWTWQISA-N 2 1 388.512 0.603 20 0 GCADMP CC[C@H](NC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000419409571 1194028563 /nfs/dbraw/zinc/02/85/63/1194028563.db2.gz FIHHJDFJJPHHHM-CEXWTWQISA-N 2 1 388.512 0.603 20 0 GCADMP CN1CC[N@@H+](CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000419413368 1194030577 /nfs/dbraw/zinc/03/05/77/1194030577.db2.gz FIPMRUPULATVGN-SFHVURJKSA-N 2 1 387.528 0.479 20 0 GCADMP C[N@@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000419413368 1194030580 /nfs/dbraw/zinc/03/05/80/1194030580.db2.gz FIPMRUPULATVGN-SFHVURJKSA-N 2 1 387.528 0.479 20 0 GCADMP C[N@H+]1CCN(CCCNC(=O)C(=O)NCC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000419413368 1194030584 /nfs/dbraw/zinc/03/05/84/1194030584.db2.gz FIPMRUPULATVGN-SFHVURJKSA-N 2 1 387.528 0.479 20 0 GCADMP CC[C@H](CNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419416484 1194032178 /nfs/dbraw/zinc/03/21/78/1194032178.db2.gz WHXYENXPKAVCAA-MOPGFXCFSA-N 2 1 388.512 0.516 20 0 GCADMP CC[C@@H](CNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000419416488 1194032513 /nfs/dbraw/zinc/03/25/13/1194032513.db2.gz WHXYENXPKAVCAA-RBUKOAKNSA-N 2 1 388.512 0.516 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419456173 1194033316 /nfs/dbraw/zinc/03/33/16/1194033316.db2.gz YZIWFAVYSXJIGE-ZWKOTPCHSA-N 2 1 387.528 0.572 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000419445757 1194035902 /nfs/dbraw/zinc/03/59/02/1194035902.db2.gz FDNDIJIIQHOUSJ-QZTJIDSGSA-N 2 1 387.528 0.429 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419447564 1194036121 /nfs/dbraw/zinc/03/61/21/1194036121.db2.gz HQNGDJCUHMMQRO-SFHVURJKSA-N 2 1 399.539 0.739 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000419447563 1194036211 /nfs/dbraw/zinc/03/62/11/1194036211.db2.gz HQNGDJCUHMMQRO-GOSISDBHSA-N 2 1 399.539 0.739 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419451848 1194037068 /nfs/dbraw/zinc/03/70/68/1194037068.db2.gz NZVGOGIDJNMAFE-QYZOEREBSA-N 2 1 399.539 0.381 20 0 GCADMP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419453450 1194037634 /nfs/dbraw/zinc/03/76/34/1194037634.db2.gz RISJUVJOXRYMEC-QGZVFWFLSA-N 2 1 389.544 0.757 20 0 GCADMP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000419453173 1194037683 /nfs/dbraw/zinc/03/76/83/1194037683.db2.gz QZALKEAWURIDJT-KRWDZBQOSA-N 2 1 387.528 0.511 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000419454719 1194038400 /nfs/dbraw/zinc/03/84/00/1194038400.db2.gz UWDHWRAOKZQSTE-QGZVFWFLSA-N 2 1 375.517 0.429 20 0 GCADMP C[C@@H]1C[C@@H](CCNC(=O)C(=O)N(CC[NH3+])CCO)C[N@H+]1Cc1ccccc1 ZINC000419481297 1194041500 /nfs/dbraw/zinc/04/15/00/1194041500.db2.gz WQLXWJHMIACIQG-SJLPKXTDSA-N 2 1 376.501 0.183 20 0 GCADMP C[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[NH+]1CCN(c2ccccc2)CC1 ZINC000419505966 1194047157 /nfs/dbraw/zinc/04/71/57/1194047157.db2.gz MJCDEPXXORVOHF-RCCFBDPRSA-N 2 1 387.528 0.509 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000419507173 1194047409 /nfs/dbraw/zinc/04/74/09/1194047409.db2.gz OCUIHRBXHGWOPX-JQHSSLGASA-N 2 1 388.512 0.854 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419535500 1194054808 /nfs/dbraw/zinc/05/48/08/1194054808.db2.gz LFKBIBDJIVNROP-QRQLOZEOSA-N 2 1 390.528 0.926 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419535504 1194054904 /nfs/dbraw/zinc/05/49/04/1194054904.db2.gz LFKBIBDJIVNROP-WDSOQIARSA-N 2 1 390.528 0.926 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419536403 1194054989 /nfs/dbraw/zinc/05/49/89/1194054989.db2.gz MFCZXYKGWWDNPB-QZTJIDSGSA-N 2 1 376.501 0.762 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000419535498 1194055125 /nfs/dbraw/zinc/05/51/25/1194055125.db2.gz LFKBIBDJIVNROP-NEWSRXKRSA-N 2 1 390.528 0.926 20 0 GCADMP COCC[N@@H+](C)CC[C@@H](NC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000419539405 1194055843 /nfs/dbraw/zinc/05/58/43/1194055843.db2.gz POUQUNLSEOHBTN-GOSISDBHSA-N 2 1 376.501 0.634 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000419549842 1194057271 /nfs/dbraw/zinc/05/72/71/1194057271.db2.gz VWJOVUORZOIQPY-NEWSRXKRSA-N 2 1 390.528 0.926 20 0 GCADMP COCC[N@@H+](C)CC[C@H](NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419549317 1194057445 /nfs/dbraw/zinc/05/74/45/1194057445.db2.gz VLFCHEUAGNZLCW-WMZOPIPTSA-N 2 1 376.501 0.633 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000419596028 1194068095 /nfs/dbraw/zinc/06/80/95/1194068095.db2.gz XKMWBJGADKRYNQ-SQNIBIBYSA-N 2 1 380.533 0.722 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@H+]1Cc1ccccc1 ZINC000419666312 1194078750 /nfs/dbraw/zinc/07/87/50/1194078750.db2.gz VZMZPFUTMXPHNG-NZSAHSFTSA-N 2 1 388.512 0.650 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000419679057 1194080930 /nfs/dbraw/zinc/08/09/30/1194080930.db2.gz PCHSIWFGWQRMBU-DLBZAZTESA-N 2 1 380.464 0.163 20 0 GCADMP C[C@H](C[NH3+])NC(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419689065 1194085060 /nfs/dbraw/zinc/08/50/60/1194085060.db2.gz IEGRNVOSQJFQDE-QGZVFWFLSA-N 2 1 375.517 0.164 20 0 GCADMP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000419693541 1194085994 /nfs/dbraw/zinc/08/59/94/1194085994.db2.gz NLUIETLWOJIKIB-SFHVURJKSA-N 2 1 389.544 0.506 20 0 GCADMP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000419699274 1194087638 /nfs/dbraw/zinc/08/76/38/1194087638.db2.gz VZZKVGGHJDXEEX-UHOSZYNNSA-N 2 1 392.544 0.864 20 0 GCADMP COCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000419721542 1194092921 /nfs/dbraw/zinc/09/29/21/1194092921.db2.gz KNBWUUUUYQGNFG-UHFFFAOYSA-N 2 1 398.454 0.398 20 0 GCADMP [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)C1 ZINC000419725202 1194093523 /nfs/dbraw/zinc/09/35/23/1194093523.db2.gz RHQVBVOLGAFYCX-AWEZNQCLSA-N 2 1 380.439 0.995 20 0 GCADMP C[N@@H+](CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccc(F)cc1 ZINC000419754688 1194097919 /nfs/dbraw/zinc/09/79/19/1194097919.db2.gz BQQDPEZMUBWCTE-JQHSSLGASA-N 2 1 376.476 0.960 20 0 GCADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419801656 1194106387 /nfs/dbraw/zinc/10/63/87/1194106387.db2.gz BJEINSNFRLCFJO-HOTGVXAUSA-N 2 1 378.473 0.418 20 0 GCADMP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])C[C@@H](C)O1 ZINC000419805939 1194107382 /nfs/dbraw/zinc/10/73/82/1194107382.db2.gz FDSYPTFPTQRKGF-GPMSIDNRSA-N 2 1 388.512 0.862 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000419826162 1194111162 /nfs/dbraw/zinc/11/11/62/1194111162.db2.gz QOSKWCCKCFVOFP-CALCHBBNSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)C(=O)N2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000419826162 1194111164 /nfs/dbraw/zinc/11/11/64/1194111164.db2.gz QOSKWCCKCFVOFP-CALCHBBNSA-N 2 1 388.512 0.734 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419810542 1194112391 /nfs/dbraw/zinc/11/23/91/1194112391.db2.gz XHDKIUQOMUOJON-BBWFWOEESA-N 2 1 380.533 0.864 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419810542 1194112395 /nfs/dbraw/zinc/11/23/95/1194112395.db2.gz XHDKIUQOMUOJON-BBWFWOEESA-N 2 1 380.533 0.864 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000419810422 1194112472 /nfs/dbraw/zinc/11/24/72/1194112472.db2.gz HCDYAUSFWZMEAJ-BZUAXINKSA-N 2 1 376.501 0.718 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419810546 1194112515 /nfs/dbraw/zinc/11/25/15/1194112515.db2.gz XHDKIUQOMUOJON-IXDOHACOSA-N 2 1 380.533 0.864 20 0 GCADMP C[C@@H]1C[N@H+](C[C@H]2CCCN2C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000419810546 1194112517 /nfs/dbraw/zinc/11/25/17/1194112517.db2.gz XHDKIUQOMUOJON-IXDOHACOSA-N 2 1 380.533 0.864 20 0 GCADMP C[NH2+]CCCNC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419848189 1194113804 /nfs/dbraw/zinc/11/38/04/1194113804.db2.gz UCLPRFMNSFPILT-QZTJIDSGSA-N 3 1 381.565 0.508 20 0 GCADMP C[C@H](C[NH3+])CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419827926 1194115420 /nfs/dbraw/zinc/11/54/20/1194115420.db2.gz RTASNQZKNMREKU-PMPSAXMXSA-N 2 1 376.501 0.623 20 0 GCADMP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000419850364 1194115559 /nfs/dbraw/zinc/11/55/59/1194115559.db2.gz FXLBGBJTNNPMGJ-PKOBYXMFSA-N 2 1 387.528 0.177 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000419830899 1194115814 /nfs/dbraw/zinc/11/58/14/1194115814.db2.gz UKXSFYZEDVNWGV-ULQDDVLXSA-N 2 1 390.528 0.884 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000419832059 1194116691 /nfs/dbraw/zinc/11/66/91/1194116691.db2.gz RLOOQSUFNPRZRX-GOSISDBHSA-N 2 1 389.544 0.364 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419839903 1194118920 /nfs/dbraw/zinc/11/89/20/1194118920.db2.gz YVUITUOTHQFIIP-AEFFLSMTSA-N 2 1 375.517 0.192 20 0 GCADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419841769 1194119291 /nfs/dbraw/zinc/11/92/91/1194119291.db2.gz AHJPAEWNKDIPCC-UHFFFAOYSA-N 2 1 381.565 0.368 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000419852718 1194120848 /nfs/dbraw/zinc/12/08/48/1194120848.db2.gz LXDWOOGTLHPUKA-IBGZPJMESA-N 2 1 387.528 0.179 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419857379 1194122922 /nfs/dbraw/zinc/12/29/22/1194122922.db2.gz KCXCIMXSCALPDR-KSZLIROESA-N 2 1 379.549 0.119 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000419860697 1194124226 /nfs/dbraw/zinc/12/42/26/1194124226.db2.gz CJRCZTVYWQLWQA-GOSISDBHSA-N 2 1 379.549 0.311 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419864342 1194125155 /nfs/dbraw/zinc/12/51/55/1194125155.db2.gz INLALJXHALHOOC-CALCHBBNSA-N 2 1 381.565 0.271 20 0 GCADMP O=C(NCCCN1CC[NH2+]CC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000419863097 1194125226 /nfs/dbraw/zinc/12/52/26/1194125226.db2.gz HKXIAORFTMWNLG-QGZVFWFLSA-N 2 1 391.516 0.334 20 0 GCADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419863721 1194125544 /nfs/dbraw/zinc/12/55/44/1194125544.db2.gz IBMZJWFQSBOCQH-MJGOQNOKSA-N 2 1 387.528 0.350 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000419851751 1194129464 /nfs/dbraw/zinc/12/94/64/1194129464.db2.gz JLTWAZYJFXVECT-IYBDPMFKSA-N 2 1 380.533 0.593 20 0 GCADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NCCCN2CC[NH2+]CC2)C1 ZINC000419880142 1194131454 /nfs/dbraw/zinc/13/14/54/1194131454.db2.gz ZXCMBILPQLJIRJ-HDICACEKSA-N 2 1 381.565 0.272 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419882850 1194131875 /nfs/dbraw/zinc/13/18/75/1194131875.db2.gz VPMPNCWJOGKWPX-UHFFFAOYSA-N 2 1 387.528 0.653 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000419908071 1194141010 /nfs/dbraw/zinc/14/10/10/1194141010.db2.gz HRVXWXDMVVZADV-IAGOWNOFSA-N 2 1 398.548 0.219 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000419908072 1194141098 /nfs/dbraw/zinc/14/10/98/1194141098.db2.gz HRVXWXDMVVZADV-IRXDYDNUSA-N 2 1 398.548 0.219 20 0 GCADMP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000419948846 1194143304 /nfs/dbraw/zinc/14/33/04/1194143304.db2.gz GMJZXDOAQMIXDQ-SOLBZPMBSA-N 2 1 382.549 0.824 20 0 GCADMP CCC[NH2+]CCNC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419936469 1194145057 /nfs/dbraw/zinc/14/50/57/1194145057.db2.gz UIPLPGWVTKALOS-HXUWFJFHSA-N 2 1 376.501 0.198 20 0 GCADMP C[NH2+]C[C@H](C)CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419942557 1194146519 /nfs/dbraw/zinc/14/65/19/1194146519.db2.gz GCFRTUGJMKJBHD-JXFKEZNVSA-N 2 1 376.501 0.054 20 0 GCADMP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000419984675 1194147271 /nfs/dbraw/zinc/14/72/71/1194147271.db2.gz YBGSUBNKMQKNRX-SFHVURJKSA-N 2 1 389.544 0.757 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419960519 1194147900 /nfs/dbraw/zinc/14/79/00/1194147900.db2.gz WGAFXBDYQDYCJI-WMZOPIPTSA-N 2 1 375.517 0.866 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419969379 1194149478 /nfs/dbraw/zinc/14/94/78/1194149478.db2.gz SBLVJEPKKWVOOL-SFHVURJKSA-N 2 1 381.565 0.495 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419969379 1194149482 /nfs/dbraw/zinc/14/94/82/1194149482.db2.gz SBLVJEPKKWVOOL-SFHVURJKSA-N 2 1 381.565 0.495 20 0 GCADMP O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000419979997 1194151462 /nfs/dbraw/zinc/15/14/62/1194151462.db2.gz QIDMIDFHWRENRT-INIZCTEOSA-N 2 1 378.542 0.941 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000419980133 1194151465 /nfs/dbraw/zinc/15/14/65/1194151465.db2.gz QLVAZZUQWQGOGE-BDXSIMOUSA-N 2 1 380.533 0.593 20 0 GCADMP C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419988597 1194153226 /nfs/dbraw/zinc/15/32/26/1194153226.db2.gz ZTPHAQNYNJUQJD-MSOLQXFVSA-N 2 1 379.549 0.121 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000419992821 1194154046 /nfs/dbraw/zinc/15/40/46/1194154046.db2.gz IBPRQDONTQMKKE-XLIONFOSSA-N 2 1 376.501 0.181 20 0 GCADMP C[C@H](CC[NH3+])NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000419996068 1194154577 /nfs/dbraw/zinc/15/45/77/1194154577.db2.gz MYAGYUYLVRQAEV-NJAFHUGGSA-N 2 1 381.565 0.636 20 0 GCADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000420000278 1194155723 /nfs/dbraw/zinc/15/57/23/1194155723.db2.gz SXJZYJBZRHNPOZ-LVCYWYKZSA-N 2 1 388.512 0.325 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894246953 1194156261 /nfs/dbraw/zinc/15/62/61/1194156261.db2.gz BAWORIQHFRNXER-GJZGRUSLSA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000894246953 1194156262 /nfs/dbraw/zinc/15/62/62/1194156262.db2.gz BAWORIQHFRNXER-GJZGRUSLSA-N 2 1 375.521 0.636 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)c1cc(C(N)=O)nc(N(C)C[C@@H]2CCC[N@H+]2C)n1 ZINC000894246953 1194156264 /nfs/dbraw/zinc/15/62/64/1194156264.db2.gz BAWORIQHFRNXER-GJZGRUSLSA-N 2 1 375.521 0.636 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420009011 1194157070 /nfs/dbraw/zinc/15/70/70/1194157070.db2.gz CFVXSMONGDNNEM-MDMSPXHWSA-N 2 1 380.533 0.720 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000420009011 1194157073 /nfs/dbraw/zinc/15/70/73/1194157073.db2.gz CFVXSMONGDNNEM-MDMSPXHWSA-N 2 1 380.533 0.720 20 0 GCADMP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000420022862 1194158319 /nfs/dbraw/zinc/15/83/19/1194158319.db2.gz WSJJZCFLQUHPSK-GOSISDBHSA-N 2 1 391.516 0.232 20 0 GCADMP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000420011855 1194161750 /nfs/dbraw/zinc/16/17/50/1194161750.db2.gz IOUQZEVHNKNBFS-MSOLQXFVSA-N 2 1 375.517 0.994 20 0 GCADMP CN(C(=O)C(=O)NCC(C)(C)[NH3+])[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420046371 1194168276 /nfs/dbraw/zinc/16/82/76/1194168276.db2.gz AAOGJNJDFBJKGB-IAGOWNOFSA-N 2 1 381.565 0.636 20 0 GCADMP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000420055168 1194171045 /nfs/dbraw/zinc/17/10/45/1194171045.db2.gz HQMDVRGUYFNVLU-WMZOPIPTSA-N 2 1 388.512 0.950 20 0 GCADMP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000420078726 1194173750 /nfs/dbraw/zinc/17/37/50/1194173750.db2.gz FSXBLNSTJWVXPB-IYBDPMFKSA-N 2 1 382.549 0.968 20 0 GCADMP CN(C(=O)C(=O)NCC1([NH3+])CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420084509 1194174622 /nfs/dbraw/zinc/17/46/22/1194174622.db2.gz ABKOXTUYQZTDHU-QZTJIDSGSA-N 2 1 393.576 0.780 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000420100189 1194177927 /nfs/dbraw/zinc/17/79/27/1194177927.db2.gz KHWGULATZYFOPT-WWNBULGVSA-N 2 1 380.533 0.593 20 0 GCADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000420103407 1194178557 /nfs/dbraw/zinc/17/85/57/1194178557.db2.gz QZRLWSMIZJIHBI-DHSIGJKJSA-N 2 1 394.466 0.937 20 0 GCADMP C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000420138240 1194185225 /nfs/dbraw/zinc/18/52/25/1194185225.db2.gz XJKAJMOEXAANPT-KGLIPLIRSA-N 2 1 394.438 0.356 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000420138245 1194185445 /nfs/dbraw/zinc/18/54/45/1194185445.db2.gz XJKAJMOEXAANPT-ZIAGYGMSSA-N 2 1 394.438 0.356 20 0 GCADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420119173 1194187148 /nfs/dbraw/zinc/18/71/48/1194187148.db2.gz NEXKAVFMLUFYCT-PLMTUMEDSA-N 2 1 388.512 0.196 20 0 GCADMP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000420125360 1194188769 /nfs/dbraw/zinc/18/87/69/1194188769.db2.gz PNTUGHFDUGHESA-SFHVURJKSA-N 2 1 389.544 0.901 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420125440 1194188792 /nfs/dbraw/zinc/18/87/92/1194188792.db2.gz PVOHTFHNXLIBQF-NQIIRXRSSA-N 2 1 390.528 0.716 20 0 GCADMP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000420125442 1194188895 /nfs/dbraw/zinc/18/88/95/1194188895.db2.gz PVOHTFHNXLIBQF-WIYYLYMNSA-N 2 1 390.528 0.716 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CCOC ZINC000420157209 1194190300 /nfs/dbraw/zinc/19/03/00/1194190300.db2.gz GEGOGPGCHNPGIX-DLBZAZTESA-N 2 1 382.549 0.840 20 0 GCADMP CCC[C@H]1CN(C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1CCOC ZINC000420157209 1194190303 /nfs/dbraw/zinc/19/03/03/1194190303.db2.gz GEGOGPGCHNPGIX-DLBZAZTESA-N 2 1 382.549 0.840 20 0 GCADMP CC[NH2+][C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000420160742 1194191361 /nfs/dbraw/zinc/19/13/61/1194191361.db2.gz VICDYFIBZLWRMO-NZSAHSFTSA-N 2 1 395.592 0.896 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000501584363 1194195424 /nfs/dbraw/zinc/19/54/24/1194195424.db2.gz LALLWXKRJIJIFZ-IXDOHACOSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1C ZINC000501584363 1194195428 /nfs/dbraw/zinc/19/54/28/1194195428.db2.gz LALLWXKRJIJIFZ-IXDOHACOSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000501584366 1194195568 /nfs/dbraw/zinc/19/55/68/1194195568.db2.gz LALLWXKRJIJIFZ-YESZJQIVSA-N 2 1 380.533 0.545 20 0 GCADMP CC[N@H+]1C[C@H](C)N(C(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@@H]1C ZINC000501584366 1194195571 /nfs/dbraw/zinc/19/55/71/1194195571.db2.gz LALLWXKRJIJIFZ-YESZJQIVSA-N 2 1 380.533 0.545 20 0 GCADMP CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501586928 1194196766 /nfs/dbraw/zinc/19/67/66/1194196766.db2.gz VHWLEKWCUWVZER-DLBZAZTESA-N 2 1 380.533 0.452 20 0 GCADMP CCO[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000982930467 1194197370 /nfs/dbraw/zinc/19/73/70/1194197370.db2.gz NNURUNMKXXYNEB-BRSBDYLESA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000501591334 1194198400 /nfs/dbraw/zinc/19/84/00/1194198400.db2.gz ULQLHUPJRUVUEY-ZWKOTPCHSA-N 2 1 394.560 0.698 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420169349 1194200192 /nfs/dbraw/zinc/20/01/92/1194200192.db2.gz VMKYEMFBZKOXGC-JZXOWHBKSA-N 2 1 378.517 0.513 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000420169349 1194200197 /nfs/dbraw/zinc/20/01/97/1194200197.db2.gz VMKYEMFBZKOXGC-JZXOWHBKSA-N 2 1 378.517 0.513 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420174319 1194201023 /nfs/dbraw/zinc/20/10/23/1194201023.db2.gz YMTKWVHLDVKFFW-XWTMOSNGSA-N 2 1 394.560 0.981 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@H](C)O1 ZINC000420174319 1194201027 /nfs/dbraw/zinc/20/10/27/1194201027.db2.gz YMTKWVHLDVKFFW-XWTMOSNGSA-N 2 1 394.560 0.981 20 0 GCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420198997 1194202803 /nfs/dbraw/zinc/20/28/03/1194202803.db2.gz MYRIHKUXCMUVJN-RTBURBONSA-N 2 1 388.512 0.462 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501595715 1194207740 /nfs/dbraw/zinc/20/77/40/1194207740.db2.gz HEICCQYDWMHLRO-APWZRJJASA-N 2 1 392.544 0.737 20 0 GCADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000420192429 1194207762 /nfs/dbraw/zinc/20/77/62/1194207762.db2.gz BFCVQNXVKNMWMZ-IBGZPJMESA-N 2 1 388.512 0.462 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C[C@@H](C)O1 ZINC000501622156 1194209701 /nfs/dbraw/zinc/20/97/01/1194209701.db2.gz IIERKONUVIOOBA-LMMKCTJWSA-N 2 1 394.560 0.983 20 0 GCADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000420222852 1194210558 /nfs/dbraw/zinc/21/05/58/1194210558.db2.gz TZMKSTNCLVRTIQ-KZNAEPCWSA-N 2 1 380.533 0.594 20 0 GCADMP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)C1 ZINC000420208437 1194211373 /nfs/dbraw/zinc/21/13/73/1194211373.db2.gz QZTZJAMIHCJBLI-KBPBESRZSA-N 2 1 394.438 0.343 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611528 1194211609 /nfs/dbraw/zinc/21/16/09/1194211609.db2.gz IYFNHWZIOLKOEA-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000501611528 1194211611 /nfs/dbraw/zinc/21/16/11/1194211611.db2.gz IYFNHWZIOLKOEA-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501611528 1194211615 /nfs/dbraw/zinc/21/16/15/1194211615.db2.gz IYFNHWZIOLKOEA-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501611528 1194211618 /nfs/dbraw/zinc/21/16/18/1194211618.db2.gz IYFNHWZIOLKOEA-SJLPKXTDSA-N 2 1 394.560 0.671 20 0 GCADMP COc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420215462 1194214204 /nfs/dbraw/zinc/21/42/04/1194214204.db2.gz WHFIENRCJDXAIF-ROUUACIJSA-N 2 1 388.512 0.973 20 0 GCADMP COc1ccc(C[N@H+]2CCCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420215462 1194214206 /nfs/dbraw/zinc/21/42/06/1194214206.db2.gz WHFIENRCJDXAIF-ROUUACIJSA-N 2 1 388.512 0.973 20 0 GCADMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501621236 1194214982 /nfs/dbraw/zinc/21/49/82/1194214982.db2.gz GEDAMAZVEJYKQP-AEFFLSMTSA-N 2 1 380.533 0.402 20 0 GCADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501621236 1194214985 /nfs/dbraw/zinc/21/49/85/1194214985.db2.gz GEDAMAZVEJYKQP-AEFFLSMTSA-N 2 1 380.533 0.402 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000420219665 1194215073 /nfs/dbraw/zinc/21/50/73/1194215073.db2.gz YWATTYGCXJZTPJ-XMTFNYHQSA-N 2 1 379.549 0.247 20 0 GCADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501635162 1194216455 /nfs/dbraw/zinc/21/64/55/1194216455.db2.gz FTUNWJAIZOCCSJ-DLBZAZTESA-N 2 1 380.533 0.404 20 0 GCADMP CN(CCCN1CC[NH+](C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501649278 1194219298 /nfs/dbraw/zinc/21/92/98/1194219298.db2.gz SKSABOFXIRLHED-IBGZPJMESA-N 2 1 393.576 0.463 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000501649278 1194219302 /nfs/dbraw/zinc/21/93/02/1194219302.db2.gz SKSABOFXIRLHED-IBGZPJMESA-N 2 1 393.576 0.463 20 0 GCADMP CN(CCC[NH+]1CCN(C)CC1)C(=O)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000501649278 1194219305 /nfs/dbraw/zinc/21/93/05/1194219305.db2.gz SKSABOFXIRLHED-IBGZPJMESA-N 2 1 393.576 0.463 20 0 GCADMP CN(C)S(=O)(=O)c1ccc(OCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420347224 1194222258 /nfs/dbraw/zinc/22/22/58/1194222258.db2.gz FVPUFHWFVHUUML-MRXNPFEDSA-N 2 1 382.530 0.295 20 0 GCADMP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000420351392 1194223887 /nfs/dbraw/zinc/22/38/87/1194223887.db2.gz WVCRBFVCCNDRMA-RTBURBONSA-N 2 1 376.476 0.705 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C(=O)NCCOCC[NH+](C)C ZINC000501733394 1194224816 /nfs/dbraw/zinc/22/48/16/1194224816.db2.gz SHASIBNAYHFOCE-IEBWSBKVSA-N 2 1 390.528 0.708 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400836 1194226172 /nfs/dbraw/zinc/22/61/72/1194226172.db2.gz IRXKTMZQTJOKHN-YCPHGPKFSA-N 2 1 382.530 0.298 20 0 GCADMP C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400836 1194226175 /nfs/dbraw/zinc/22/61/75/1194226175.db2.gz IRXKTMZQTJOKHN-YCPHGPKFSA-N 2 1 382.530 0.298 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407554 1194229411 /nfs/dbraw/zinc/22/94/11/1194229411.db2.gz OLDIGUTWNYPECK-HOSILWTGSA-N 2 1 382.530 0.816 20 0 GCADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc(S(N)(=O)=O)cc1 ZINC000420407554 1194229415 /nfs/dbraw/zinc/22/94/15/1194229415.db2.gz OLDIGUTWNYPECK-HOSILWTGSA-N 2 1 382.530 0.816 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000421222911 1194311097 /nfs/dbraw/zinc/31/10/97/1194311097.db2.gz ZISRZFCMUKNAAD-ZWKOTPCHSA-N 2 1 382.549 0.792 20 0 GCADMP CCC(CC)[C@@H](CNC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+]1C)[NH+]1CCOCC1 ZINC000421222911 1194311099 /nfs/dbraw/zinc/31/10/99/1194311099.db2.gz ZISRZFCMUKNAAD-ZWKOTPCHSA-N 2 1 382.549 0.792 20 0 GCADMP CC(C)C[NH+]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652726111 1194339969 /nfs/dbraw/zinc/33/99/69/1194339969.db2.gz GTOAMZYZKAYAQF-OKZBNKHCSA-N 2 1 380.533 0.532 20 0 GCADMP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000502851568 1194362680 /nfs/dbraw/zinc/36/26/80/1194362680.db2.gz OTXFVLHCLMRIBA-IAGOWNOFSA-N 2 1 380.533 0.642 20 0 GCADMP CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000502851567 1194363038 /nfs/dbraw/zinc/36/30/38/1194363038.db2.gz OTXFVLHCLMRIBA-DLBZAZTESA-N 2 1 380.533 0.642 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCC[N@H+]2C)CCN1C1CC[NH+](C)CC1 ZINC000422103439 1194385983 /nfs/dbraw/zinc/38/59/83/1194385983.db2.gz GSESGRVOQJQIQU-AEFFLSMTSA-N 2 1 379.549 0.166 20 0 GCADMP CCN1CC[NH+](C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089920 1194388394 /nfs/dbraw/zinc/38/83/94/1194388394.db2.gz UZXIWOYMYBXZTN-MSOLQXFVSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000422089920 1194388398 /nfs/dbraw/zinc/38/83/98/1194388398.db2.gz UZXIWOYMYBXZTN-MSOLQXFVSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+]1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000422089920 1194388402 /nfs/dbraw/zinc/38/84/02/1194388402.db2.gz UZXIWOYMYBXZTN-MSOLQXFVSA-N 2 1 381.565 0.317 20 0 GCADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCN(CC(=O)N(C)C)CC1 ZINC000503183803 1194403622 /nfs/dbraw/zinc/40/36/22/1194403622.db2.gz WGPXZEFTHINCSK-MOPGFXCFSA-N 2 1 395.592 0.709 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000272764470 1194498485 /nfs/dbraw/zinc/49/84/85/1194498485.db2.gz LGDTYPFJOYJHBV-OALUTQOASA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000272764470 1194498487 /nfs/dbraw/zinc/49/84/87/1194498487.db2.gz LGDTYPFJOYJHBV-OALUTQOASA-N 2 1 376.501 0.773 20 0 GCADMP COCC[NH+]1CC[C@H](NC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000272764470 1194498492 /nfs/dbraw/zinc/49/84/92/1194498492.db2.gz LGDTYPFJOYJHBV-OALUTQOASA-N 2 1 376.501 0.773 20 0 GCADMP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000273042087 1194533107 /nfs/dbraw/zinc/53/31/07/1194533107.db2.gz GIOGTPNMJZHLNB-MISYRCLQSA-N 2 1 375.513 0.954 20 0 GCADMP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CC2)CC1 ZINC000422262812 1194595420 /nfs/dbraw/zinc/59/54/20/1194595420.db2.gz AFBBYTLRNKUJDR-KRWDZBQOSA-N 2 1 391.560 0.358 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000422267244 1194596130 /nfs/dbraw/zinc/59/61/30/1194596130.db2.gz IFFWVNUFMWQBTD-KRWDZBQOSA-N 2 1 388.516 0.002 20 0 GCADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000422268692 1194596747 /nfs/dbraw/zinc/59/67/47/1194596747.db2.gz KHOVBTOQZRQZDW-QGZVFWFLSA-N 2 1 376.501 0.796 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000422283786 1194602445 /nfs/dbraw/zinc/60/24/45/1194602445.db2.gz HCDPBLMAPSWEIE-QGZVFWFLSA-N 2 1 376.501 0.414 20 0 GCADMP COCCN(C)CCNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000422283786 1194602447 /nfs/dbraw/zinc/60/24/47/1194602447.db2.gz HCDPBLMAPSWEIE-QGZVFWFLSA-N 2 1 376.501 0.414 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000422302750 1194609572 /nfs/dbraw/zinc/60/95/72/1194609572.db2.gz RWSZXRVHYODNSZ-MRXNPFEDSA-N 2 1 382.530 0.475 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000422302906 1194610162 /nfs/dbraw/zinc/61/01/62/1194610162.db2.gz HAKXPDGNXYVLHG-SFHVURJKSA-N 2 1 390.528 0.838 20 0 GCADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000422378182 1194626830 /nfs/dbraw/zinc/62/68/30/1194626830.db2.gz LTGJEBPEGKMURP-RBUKOAKNSA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000422378182 1194626833 /nfs/dbraw/zinc/62/68/33/1194626833.db2.gz LTGJEBPEGKMURP-RBUKOAKNSA-N 2 1 388.512 0.422 20 0 GCADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000422378182 1194626836 /nfs/dbraw/zinc/62/68/36/1194626836.db2.gz LTGJEBPEGKMURP-RBUKOAKNSA-N 2 1 388.512 0.422 20 0 GCADMP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000422491340 1194651379 /nfs/dbraw/zinc/65/13/79/1194651379.db2.gz NPTNXNBPJRLESU-QZTJIDSGSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497472 1194652606 /nfs/dbraw/zinc/65/26/06/1194652606.db2.gz VNVKSFALOYJCTJ-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[N@H+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000422497472 1194652609 /nfs/dbraw/zinc/65/26/09/1194652609.db2.gz VNVKSFALOYJCTJ-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000422497472 1194652612 /nfs/dbraw/zinc/65/26/12/1194652612.db2.gz VNVKSFALOYJCTJ-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000422497472 1194652618 /nfs/dbraw/zinc/65/26/18/1194652618.db2.gz VNVKSFALOYJCTJ-HCXYKTFWSA-N 2 1 394.560 0.935 20 0 GCADMP CC[N@H+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000422547347 1194668626 /nfs/dbraw/zinc/66/86/26/1194668626.db2.gz WNTNFSTXTCCQIV-WIYYLYMNSA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000422547347 1194668628 /nfs/dbraw/zinc/66/86/28/1194668628.db2.gz WNTNFSTXTCCQIV-WIYYLYMNSA-N 2 1 388.512 0.292 20 0 GCADMP CC[NH+]1CC[C@@H](NC(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000422547347 1194668629 /nfs/dbraw/zinc/66/86/29/1194668629.db2.gz WNTNFSTXTCCQIV-WIYYLYMNSA-N 2 1 388.512 0.292 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N(CCC[NH+]2CCOCC2)Cc2ccncc2)C1 ZINC000423019215 1194717826 /nfs/dbraw/zinc/71/78/26/1194717826.db2.gz USHQZWAOQZCKJK-GOSISDBHSA-N 2 1 389.500 0.082 20 0 GCADMP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423128166 1194729243 /nfs/dbraw/zinc/72/92/43/1194729243.db2.gz KLIMGLWXVBVWHZ-CGTJXYLNSA-N 2 1 379.549 0.057 20 0 GCADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000423128166 1194729246 /nfs/dbraw/zinc/72/92/46/1194729246.db2.gz KLIMGLWXVBVWHZ-CGTJXYLNSA-N 2 1 379.549 0.057 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)CC[C@H]1[NH3+] ZINC000423183325 1194733451 /nfs/dbraw/zinc/73/34/51/1194733451.db2.gz GIICNKOCCFPDDR-UONOGXRCSA-N 2 1 394.438 0.295 20 0 GCADMP Cc1cc[nH+]c(N2CCN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)CC2)c1 ZINC000423159672 1194734487 /nfs/dbraw/zinc/73/44/87/1194734487.db2.gz PQTYYSMERXLDDV-RBUKOAKNSA-N 2 1 393.491 0.992 20 0 GCADMP C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)C[C@H](C)O1 ZINC000423212060 1194737369 /nfs/dbraw/zinc/73/73/69/1194737369.db2.gz ZOGHUPAHCWCXAI-KSZLIROESA-N 2 1 394.560 0.922 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000423203648 1194739413 /nfs/dbraw/zinc/73/94/13/1194739413.db2.gz CSEVIGWHOSKNNX-YRXWBPOGSA-N 2 1 393.576 0.447 20 0 GCADMP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000423214541 1194740518 /nfs/dbraw/zinc/74/05/18/1194740518.db2.gz PCASWHUNRPNSIA-OTWHNJEPSA-N 2 1 393.576 0.461 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423260912 1194742758 /nfs/dbraw/zinc/74/27/58/1194742758.db2.gz ISANVUXWFLARRX-SFHVURJKSA-N 2 1 388.512 0.686 20 0 GCADMP CC1(C)CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423260912 1194742761 /nfs/dbraw/zinc/74/27/61/1194742761.db2.gz ISANVUXWFLARRX-SFHVURJKSA-N 2 1 388.512 0.686 20 0 GCADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000423370747 1194751876 /nfs/dbraw/zinc/75/18/76/1194751876.db2.gz HCQNVKRRWGPQTP-IEBWSBKVSA-N 2 1 388.512 0.686 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@@H+]1C ZINC000423383555 1194752528 /nfs/dbraw/zinc/75/25/28/1194752528.db2.gz PKHLZQYZORGEHS-RCCFBDPRSA-N 2 1 376.476 0.877 20 0 GCADMP CC(C)[C@H]1CN(C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[N@H+]1C ZINC000423383555 1194752531 /nfs/dbraw/zinc/75/25/31/1194752531.db2.gz PKHLZQYZORGEHS-RCCFBDPRSA-N 2 1 376.476 0.877 20 0 GCADMP CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000423388521 1194752707 /nfs/dbraw/zinc/75/27/07/1194752707.db2.gz MWURHCWUINYVRZ-MRXNPFEDSA-N 2 1 380.533 0.546 20 0 GCADMP CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423386045 1194752912 /nfs/dbraw/zinc/75/29/12/1194752912.db2.gz LVJBLBMPVCRSLB-JOCHJYFZSA-N 2 1 399.539 0.479 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000423403048 1194754673 /nfs/dbraw/zinc/75/46/73/1194754673.db2.gz XASNQBFTKXRTJF-HKUYNNGSSA-N 2 1 387.528 0.463 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000423443875 1194755752 /nfs/dbraw/zinc/75/57/52/1194755752.db2.gz KWKARJAKZALXAC-RTBURBONSA-N 2 1 394.560 0.651 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)CC1 ZINC000423446987 1194756142 /nfs/dbraw/zinc/75/61/42/1194756142.db2.gz OLPHPIGNCKOAAR-HXUWFJFHSA-N 2 1 382.549 0.781 20 0 GCADMP C[NH2+]CCC1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CC1 ZINC000423451780 1194756172 /nfs/dbraw/zinc/75/61/72/1194756172.db2.gz VIZIKERYXWNGJB-UHFFFAOYSA-N 2 1 382.549 0.651 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)CC1 ZINC000423432898 1194756758 /nfs/dbraw/zinc/75/67/58/1194756758.db2.gz BUADTNKJLAEREJ-SJLPKXTDSA-N 2 1 382.549 0.779 20 0 GCADMP CN(CC(C)(C)C[NH+]1CCOCC1)C(=O)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423439834 1194757602 /nfs/dbraw/zinc/75/76/02/1194757602.db2.gz IFSSMYYQZWUBKD-MSOLQXFVSA-N 2 1 394.560 0.651 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1)CC1CC1 ZINC000423459894 1194757863 /nfs/dbraw/zinc/75/78/63/1194757863.db2.gz AEZJUTONHHBHJI-SFHVURJKSA-N 2 1 380.533 0.533 20 0 GCADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423466988 1194758563 /nfs/dbraw/zinc/75/85/63/1194758563.db2.gz ABKXFHBFNBJYHQ-RTBURBONSA-N 2 1 388.512 0.543 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CCN(C)CC2)CC[NH2+]1 ZINC000423529119 1194761418 /nfs/dbraw/zinc/76/14/18/1194761418.db2.gz NXHHKHLZCJFOQD-WDSOQIARSA-N 2 1 393.576 0.602 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000423529223 1194761575 /nfs/dbraw/zinc/76/15/75/1194761575.db2.gz XKECEBZRKUSZIN-OALUTQOASA-N 2 1 388.512 0.686 20 0 GCADMP CC[C@H]1CN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000423529223 1194761576 /nfs/dbraw/zinc/76/15/76/1194761576.db2.gz XKECEBZRKUSZIN-OALUTQOASA-N 2 1 388.512 0.686 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000423533172 1194761992 /nfs/dbraw/zinc/76/19/92/1194761992.db2.gz WYPGIXGIWLSNBD-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC[N@H+]1CCOC ZINC000423533172 1194761994 /nfs/dbraw/zinc/76/19/94/1194761994.db2.gz WYPGIXGIWLSNBD-QGZVFWFLSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423535633 1194762263 /nfs/dbraw/zinc/76/22/63/1194762263.db2.gz DVNMZYJMINBGFQ-BPQIPLTHSA-N 2 1 388.512 0.243 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423535633 1194762265 /nfs/dbraw/zinc/76/22/65/1194762265.db2.gz DVNMZYJMINBGFQ-BPQIPLTHSA-N 2 1 388.512 0.243 20 0 GCADMP CC[N@@H+](CCC1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1)CC(C)C ZINC000423516856 1194762317 /nfs/dbraw/zinc/76/23/17/1194762317.db2.gz HBYXHHPDRZWINK-GOSISDBHSA-N 2 1 382.549 0.779 20 0 GCADMP C[C@H](NC[C@H]1C[NH2+]CCO1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000423523043 1194762631 /nfs/dbraw/zinc/76/26/31/1194762631.db2.gz MVTNZEJIROWCBW-DOTOQJQBSA-N 2 1 384.546 0.556 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423524495 1194762906 /nfs/dbraw/zinc/76/29/06/1194762906.db2.gz JNEGWAQANBYGMV-IPMKNSEASA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423524495 1194762907 /nfs/dbraw/zinc/76/29/07/1194762907.db2.gz JNEGWAQANBYGMV-IPMKNSEASA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@@H+]1CCOC ZINC000423524698 1194762982 /nfs/dbraw/zinc/76/29/82/1194762982.db2.gz JWEYHQCCNWGFTM-RTBURBONSA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[N@H+]1CCOC ZINC000423524698 1194762985 /nfs/dbraw/zinc/76/29/85/1194762985.db2.gz JWEYHQCCNWGFTM-RTBURBONSA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[N@@H+]1CCOC ZINC000423524494 1194763096 /nfs/dbraw/zinc/76/30/96/1194763096.db2.gz JNEGWAQANBYGMV-GUDVDZBRSA-N 2 1 394.560 0.794 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[N@H+]1CCOC ZINC000423524494 1194763097 /nfs/dbraw/zinc/76/30/97/1194763097.db2.gz JNEGWAQANBYGMV-GUDVDZBRSA-N 2 1 394.560 0.794 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000423575773 1194769105 /nfs/dbraw/zinc/76/91/05/1194769105.db2.gz WTVNPDQAIOAWMO-HGHGUNKESA-N 2 1 388.512 0.278 20 0 GCADMP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423576792 1194769447 /nfs/dbraw/zinc/76/94/47/1194769447.db2.gz YWVQRALFNSZJIL-OAQYLSRUSA-N 2 1 390.528 0.525 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000423586002 1194771032 /nfs/dbraw/zinc/77/10/32/1194771032.db2.gz APLQWYLSCZJLOE-GOSISDBHSA-N 2 1 382.549 0.923 20 0 GCADMP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000423593513 1194774551 /nfs/dbraw/zinc/77/45/51/1194774551.db2.gz MHYYIXAXMGYIDS-WIYYLYMNSA-N 2 1 388.512 0.292 20 0 GCADMP CO[C@@H]1CCN(C(=O)C(=O)N(C)CCC[N@@H+](C)Cc2ccco2)[C@@H](C[NH3+])C1 ZINC000423628635 1194775377 /nfs/dbraw/zinc/77/53/77/1194775377.db2.gz AOJAIDOSNJXPAD-HZPDHXFCSA-N 2 1 380.489 0.525 20 0 GCADMP [NH3+][C@@H]1CCCN(C(=O)C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000423639246 1194776380 /nfs/dbraw/zinc/77/63/80/1194776380.db2.gz JFCYSNOYOMHJRW-UXHICEINSA-N 2 1 399.539 0.355 20 0 GCADMP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423622292 1194777942 /nfs/dbraw/zinc/77/79/42/1194777942.db2.gz YUEXKHCNVURXBP-JZXOWHBKSA-N 2 1 380.533 0.545 20 0 GCADMP CC(C)(O)C[NH+]1CCN(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)CC1 ZINC000423629013 1194778558 /nfs/dbraw/zinc/77/85/58/1194778558.db2.gz ATCYTEGHOXRDBZ-UHFFFAOYSA-N 2 1 376.501 0.279 20 0 GCADMP COCC[N@@H+](C)CCCC1CCN(C(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000423657102 1194780023 /nfs/dbraw/zinc/78/00/23/1194780023.db2.gz VJLVKUPRIYLOBF-DLBZAZTESA-N 2 1 382.549 0.792 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423656112 1194780074 /nfs/dbraw/zinc/78/00/74/1194780074.db2.gz TZLWLNPYDQCDQO-BMFAXAFESA-N 2 1 394.560 0.920 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423657178 1194780448 /nfs/dbraw/zinc/78/04/48/1194780448.db2.gz VOOSRINULMWEHA-QZTJIDSGSA-N 2 1 387.528 0.463 20 0 GCADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000423658544 1194780582 /nfs/dbraw/zinc/78/05/82/1194780582.db2.gz XVADITWXHXSNRV-ZIAGYGMSSA-N 2 1 394.438 0.295 20 0 GCADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000423658197 1194780607 /nfs/dbraw/zinc/78/06/07/1194780607.db2.gz XIXBIAHZRLMSCB-CUSZFKRNSA-N 2 1 380.533 0.530 20 0 GCADMP [NH3+]CCCN(Cc1ccccc1)C(=O)C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423666791 1194781834 /nfs/dbraw/zinc/78/18/34/1194781834.db2.gz IVELXHOXYOHORZ-LJQANCHMSA-N 2 1 388.512 0.545 20 0 GCADMP CCCN(C(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CC[NH2+]C1 ZINC000423669189 1194782524 /nfs/dbraw/zinc/78/25/24/1194782524.db2.gz XRIPUEWQPWOPES-OTWHNJEPSA-N 2 1 393.576 0.604 20 0 GCADMP CN(C)CC[N@@H+](C)CCCN(C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000423678892 1194784801 /nfs/dbraw/zinc/78/48/01/1194784801.db2.gz RGAOZIIHKKJDEQ-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP CN(CCCN(C)C(=O)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)CC[NH+](C)C ZINC000423678892 1194784803 /nfs/dbraw/zinc/78/48/03/1194784803.db2.gz RGAOZIIHKKJDEQ-SFHVURJKSA-N 2 1 381.565 0.319 20 0 GCADMP O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CCc2cccs2)CC1 ZINC000423683092 1194785472 /nfs/dbraw/zinc/78/54/72/1194785472.db2.gz HAAGSVNPTUVAME-CVEARBPZSA-N 2 1 376.526 0.788 20 0 GCADMP C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423718243 1194788391 /nfs/dbraw/zinc/78/83/91/1194788391.db2.gz KXEIIZOVENLZGR-IEBWSBKVSA-N 2 1 387.528 0.211 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000504357536 1194788770 /nfs/dbraw/zinc/78/87/70/1194788770.db2.gz KVHXCGMQWVRFPH-QZTJIDSGSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)CC1 ZINC000504357536 1194788773 /nfs/dbraw/zinc/78/87/73/1194788773.db2.gz KVHXCGMQWVRFPH-QZTJIDSGSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)C(=O)N2CCC[C@@H](C)[C@H]2C[NH3+])CC1 ZINC000423725524 1194789611 /nfs/dbraw/zinc/78/96/11/1194789611.db2.gz HRPAPPLZXGMHLS-AKHDSKFASA-N 2 1 393.576 0.589 20 0 GCADMP COc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302010 1194808501 /nfs/dbraw/zinc/80/85/01/1194808501.db2.gz YRUJZBWTVCFXHB-CYBMUJFWSA-N 2 1 396.513 0.745 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424439671 1194811400 /nfs/dbraw/zinc/81/14/00/1194811400.db2.gz OLUGIHQMQFHXIQ-UHFFFAOYSA-N 2 1 375.517 0.926 20 0 GCADMP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000424453223 1194815237 /nfs/dbraw/zinc/81/52/37/1194815237.db2.gz JVZUKUYHKZOZCS-KRWDZBQOSA-N 2 1 389.500 0.451 20 0 GCADMP C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491134 1194816961 /nfs/dbraw/zinc/81/69/61/1194816961.db2.gz CESPPGFYOCVSPL-QGZVFWFLSA-N 2 1 379.549 0.073 20 0 GCADMP C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCC[NH+]1CCN(C)CC1)CC[NH2+]CC2 ZINC000424491133 1194817000 /nfs/dbraw/zinc/81/70/00/1194817000.db2.gz CESPPGFYOCVSPL-KRWDZBQOSA-N 2 1 379.549 0.073 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000424496668 1194818062 /nfs/dbraw/zinc/81/80/62/1194818062.db2.gz UYIPIOFFVQVSBE-QGZVFWFLSA-N 2 1 380.533 0.404 20 0 GCADMP O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424543888 1194822743 /nfs/dbraw/zinc/82/27/43/1194822743.db2.gz KHBMVCVWCGFYDO-GBESFXJTSA-N 2 1 386.496 0.214 20 0 GCADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548229 1194823633 /nfs/dbraw/zinc/82/36/33/1194823633.db2.gz KXTAZWMGLDZONM-DTYCBIMDSA-N 2 1 390.532 0.156 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2)[NH+]1CCN(C)CC1 ZINC000424558484 1194824682 /nfs/dbraw/zinc/82/46/82/1194824682.db2.gz WRHYYCOWCMOWRH-QZTJIDSGSA-N 2 1 393.576 0.365 20 0 GCADMP C[NH+]1C[C@@H]2CCCN(C(=O)CSCC(=O)N3CCC[C@H]4C[N@H+](C)C[C@H]43)[C@@H]2C1 ZINC000425059906 1194836888 /nfs/dbraw/zinc/83/68/88/1194836888.db2.gz SZOFTPDUXLAHKE-WNRNVDISSA-N 2 1 394.585 0.825 20 0 GCADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000513897377 1194840102 /nfs/dbraw/zinc/84/01/02/1194840102.db2.gz PRHPWNFECXGNFC-UHFFFAOYSA-N 3 1 395.592 0.711 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)[C@H]2C1 ZINC000652730829 1194865395 /nfs/dbraw/zinc/86/53/95/1194865395.db2.gz QZZAUOMRVWLFAM-FPSMNIFISA-N 2 1 378.517 0.284 20 0 GCADMP CC[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000664442139 1194865637 /nfs/dbraw/zinc/86/56/37/1194865637.db2.gz RJGYIOOEYJJIBB-MUGJNUQGSA-N 2 1 390.528 0.982 20 0 GCADMP CC[C@H](NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000664442139 1194865640 /nfs/dbraw/zinc/86/56/40/1194865640.db2.gz RJGYIOOEYJJIBB-MUGJNUQGSA-N 2 1 390.528 0.982 20 0 GCADMP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000514622941 1194888818 /nfs/dbraw/zinc/88/88/18/1194888818.db2.gz ZJAHYORHPYMAFO-AEFFLSMTSA-N 2 1 394.560 0.671 20 0 GCADMP COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000514660388 1194891553 /nfs/dbraw/zinc/89/15/53/1194891553.db2.gz GTCQARUPFYTVQV-HNNXBMFYSA-N 2 1 375.473 0.956 20 0 GCADMP COCC[N@@H+](C)CCN1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1=O ZINC000425312811 1194907210 /nfs/dbraw/zinc/90/72/10/1194907210.db2.gz HEHKQAMRTBPZGK-SFHVURJKSA-N 2 1 376.501 0.657 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000514852895 1194920906 /nfs/dbraw/zinc/92/09/06/1194920906.db2.gz OJUBSSWOFOQHHW-UHFFFAOYSA-N 2 1 395.592 0.711 20 0 GCADMP COc1cc(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000435370189 1194925878 /nfs/dbraw/zinc/92/58/78/1194925878.db2.gz HQVDPEDBCHXVQK-ZDUSSCGKSA-N 2 1 398.891 0.500 20 0 GCADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000514938349 1194931133 /nfs/dbraw/zinc/93/11/33/1194931133.db2.gz HIFWRLRQABYXAC-ZWKOTPCHSA-N 2 1 379.549 0.071 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)N1CCO ZINC000514999962 1194935836 /nfs/dbraw/zinc/93/58/36/1194935836.db2.gz QKABKTQTFHHELK-MJQMVNBJSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@H+]1CCO ZINC000514999962 1194935838 /nfs/dbraw/zinc/93/58/38/1194935838.db2.gz QKABKTQTFHHELK-MJQMVNBJSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C[C@H](C)[N@@H+]1CCO ZINC000514999962 1194935839 /nfs/dbraw/zinc/93/58/39/1194935839.db2.gz QKABKTQTFHHELK-MJQMVNBJSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999962 1194935840 /nfs/dbraw/zinc/93/58/40/1194935840.db2.gz QKABKTQTFHHELK-MJQMVNBJSA-N 2 1 392.544 0.375 20 0 GCADMP C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@H](C)[NH+]1CCO ZINC000514999962 1194935841 /nfs/dbraw/zinc/93/58/41/1194935841.db2.gz QKABKTQTFHHELK-MJQMVNBJSA-N 2 1 392.544 0.375 20 0 GCADMP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000515049730 1194941650 /nfs/dbraw/zinc/94/16/50/1194941650.db2.gz PILRJKJMHDNQON-SFHVURJKSA-N 2 1 389.544 0.818 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000425390090 1194941694 /nfs/dbraw/zinc/94/16/94/1194941694.db2.gz QINRGKIUMGUVNI-UHFFFAOYSA-N 2 1 394.516 0.739 20 0 GCADMP CN(C[C@@H](O)CN1CCOCC1)C(=O)NC1CCN(Cc2ccccn2)CC1 ZINC000435583375 1194946037 /nfs/dbraw/zinc/94/60/37/1194946037.db2.gz IXGPRLOHHBAUBM-LJQANCHMSA-N 2 1 391.516 0.381 20 0 GCADMP C[NH+](C)CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000284188364 1194946889 /nfs/dbraw/zinc/94/68/89/1194946889.db2.gz GZCIHPBPUHEEIP-RTBURBONSA-N 2 1 388.512 0.986 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000435801732 1194966144 /nfs/dbraw/zinc/96/61/44/1194966144.db2.gz UYZCJOFBEISEEM-INIZCTEOSA-N 2 1 397.564 0.464 20 0 GCADMP CCCNC(=O)C[NH+]1CCC(NC(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000435801732 1194966145 /nfs/dbraw/zinc/96/61/45/1194966145.db2.gz UYZCJOFBEISEEM-INIZCTEOSA-N 2 1 397.564 0.464 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC[NH2+]1 ZINC000515406367 1194972752 /nfs/dbraw/zinc/97/27/52/1194972752.db2.gz QPEPWEHRRJNWEF-BZUAXINKSA-N 2 1 393.557 0.410 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCN1C(=O)CN(C)C1=O ZINC000505731781 1194976966 /nfs/dbraw/zinc/97/69/66/1194976966.db2.gz QMIAUZVLXLVKAF-MRXNPFEDSA-N 2 1 381.521 0.535 20 0 GCADMP COCc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436064439 1194983511 /nfs/dbraw/zinc/98/35/11/1194983511.db2.gz VSKHJOUKSZAXPI-GOSISDBHSA-N 2 1 376.501 0.769 20 0 GCADMP COCc1ccc(CNC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436064439 1194983513 /nfs/dbraw/zinc/98/35/13/1194983513.db2.gz VSKHJOUKSZAXPI-GOSISDBHSA-N 2 1 376.501 0.769 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCC[C@H]1C(=O)N(C)C ZINC000436129126 1194986834 /nfs/dbraw/zinc/98/68/34/1194986834.db2.gz VYYYEIDRBMQSDY-IRXDYDNUSA-N 2 1 397.564 0.416 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000436129126 1194986835 /nfs/dbraw/zinc/98/68/35/1194986835.db2.gz VYYYEIDRBMQSDY-IRXDYDNUSA-N 2 1 397.564 0.416 20 0 GCADMP C[C@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000436129126 1194986838 /nfs/dbraw/zinc/98/68/38/1194986838.db2.gz VYYYEIDRBMQSDY-IRXDYDNUSA-N 2 1 397.564 0.416 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)C(=O)[C@H](C)n1cccn1 ZINC000505774096 1194990776 /nfs/dbraw/zinc/99/07/76/1194990776.db2.gz VBVGJUSZBRSMKZ-ROUUACIJSA-N 2 1 392.548 0.777 20 0 GCADMP Cc1cc(N2CCC(NC(=O)C(=O)N(C)CC[NH+]3CCCC3)CC2)nc(C)[nH+]1 ZINC000515701268 1194992045 /nfs/dbraw/zinc/99/20/45/1194992045.db2.gz KHDMZNPVCKSFEL-UHFFFAOYSA-N 2 1 388.516 0.733 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[NH+]2CCC[C@H](C(N)=O)C2)CC[N@H+]1CC(C)(C)O ZINC000436261524 1194994247 /nfs/dbraw/zinc/99/42/47/1194994247.db2.gz PCBLGQJBEVXXBM-HOTGVXAUSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261524 1194994248 /nfs/dbraw/zinc/99/42/48/1194994248.db2.gz PCBLGQJBEVXXBM-HOTGVXAUSA-N 2 1 383.537 0.060 20 0 GCADMP C[C@H]1CN(C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CC[NH+]1CC(C)(C)O ZINC000436261524 1194994250 /nfs/dbraw/zinc/99/42/50/1194994250.db2.gz PCBLGQJBEVXXBM-HOTGVXAUSA-N 2 1 383.537 0.060 20 0 GCADMP Cc1ccc(S(N)(=O)=O)cc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000515846082 1195001971 /nfs/dbraw/zinc/00/19/71/1195001971.db2.gz BRNNOHIBJFPRCI-LSDHHAIUSA-N 2 1 380.514 0.902 20 0 GCADMP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)CC1)CC(C)C ZINC000516197938 1195031393 /nfs/dbraw/zinc/03/13/93/1195031393.db2.gz CXTGIZPLVXRESW-KRWDZBQOSA-N 2 1 384.565 0.774 20 0 GCADMP CC(C)(CNC(=O)C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000549984778 1195035989 /nfs/dbraw/zinc/03/59/89/1195035989.db2.gz FXPNTIVELFTBAZ-UHFFFAOYSA-N 2 1 380.533 0.690 20 0 GCADMP COc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1OCC(N)=O ZINC000516624981 1195075243 /nfs/dbraw/zinc/07/52/43/1195075243.db2.gz HQIKUMFZQHRQDI-UHFFFAOYSA-N 2 1 399.451 0.958 20 0 GCADMP CN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000516629602 1195078939 /nfs/dbraw/zinc/07/89/39/1195078939.db2.gz MAQFGLZYBTUOCH-UHFFFAOYSA-N 2 1 389.544 0.677 20 0 GCADMP CC[NH+](CC)[C@H]1CCN(C(=O)CC[NH+]2CCN(C(=O)[C@H]3CCCO3)CC2)C1 ZINC000437190718 1195081143 /nfs/dbraw/zinc/08/11/43/1195081143.db2.gz ZAUUVELKUMYCFK-ZWKOTPCHSA-N 2 1 380.533 0.642 20 0 GCADMP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000516856348 1195103815 /nfs/dbraw/zinc/10/38/15/1195103815.db2.gz CRZGOFOBMISZPG-RCCFBDPRSA-N 2 1 390.532 0.740 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000425814895 1195116186 /nfs/dbraw/zinc/11/61/86/1195116186.db2.gz CIQYKFPYWUVPBW-WMLDXEAASA-N 2 1 387.484 0.678 20 0 GCADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1 ZINC000425814895 1195116189 /nfs/dbraw/zinc/11/61/89/1195116189.db2.gz CIQYKFPYWUVPBW-WMLDXEAASA-N 2 1 387.484 0.678 20 0 GCADMP C[N@@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736262 1195125384 /nfs/dbraw/zinc/12/53/84/1195125384.db2.gz BVEYSTDJTOWXTH-IBGZPJMESA-N 2 1 384.524 0.974 20 0 GCADMP C[N@H+]1CCN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)[C@@H](Cc2ccccc2)C1 ZINC000652736262 1195125388 /nfs/dbraw/zinc/12/53/88/1195125388.db2.gz BVEYSTDJTOWXTH-IBGZPJMESA-N 2 1 384.524 0.974 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000517058235 1195130555 /nfs/dbraw/zinc/13/05/55/1195130555.db2.gz FZELJKSZRKEJKK-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP C[C@@H]1C[NH+](CCCNC(=O)C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)C[C@H](C)O1 ZINC000517058235 1195130556 /nfs/dbraw/zinc/13/05/56/1195130556.db2.gz FZELJKSZRKEJKK-BBWFWOEESA-N 2 1 382.549 0.839 20 0 GCADMP COCC(C)(C)[NH+]1CCN(C(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000425891694 1195154736 /nfs/dbraw/zinc/15/47/36/1195154736.db2.gz PPACBKVYIKICAL-QGZVFWFLSA-N 2 1 382.549 0.936 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1 ZINC000517395886 1195178571 /nfs/dbraw/zinc/17/85/71/1195178571.db2.gz UCMNRMUIXFLEOX-WOJBJXKFSA-N 2 1 399.539 0.273 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N3CC[NH+](C4CCC4)CC3)CC2)CC1 ZINC000517526381 1195188402 /nfs/dbraw/zinc/18/84/02/1195188402.db2.gz QRFFGCJMXOIDFD-UHFFFAOYSA-N 2 1 391.560 0.169 20 0 GCADMP C[C@H](O)CN1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517526001 1195188538 /nfs/dbraw/zinc/18/85/38/1195188538.db2.gz CXBYRRFLIYISMG-IRXDYDNUSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[N@@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@@H]1C ZINC000517526001 1195188542 /nfs/dbraw/zinc/18/85/42/1195188542.db2.gz CXBYRRFLIYISMG-IRXDYDNUSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[N@H+]1CCN(C(=O)C(=O)N2CCC[NH+](C3CCCC3)CC2)C[C@@H]1C ZINC000517526001 1195188546 /nfs/dbraw/zinc/18/85/46/1195188546.db2.gz CXBYRRFLIYISMG-IRXDYDNUSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517526001 1195188550 /nfs/dbraw/zinc/18/85/50/1195188550.db2.gz CXBYRRFLIYISMG-IRXDYDNUSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](O)C[NH+]1CCN(C(=O)C(=O)N2CCC[N@H+](C3CCCC3)CC2)C[C@@H]1C ZINC000517526001 1195188551 /nfs/dbraw/zinc/18/85/51/1195188551.db2.gz CXBYRRFLIYISMG-IRXDYDNUSA-N 2 1 380.533 0.377 20 0 GCADMP C[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1)CN1CC[NH+](C)CC1 ZINC000517595977 1195194876 /nfs/dbraw/zinc/19/48/76/1195194876.db2.gz IMYUXYREHYXELH-ZWKOTPCHSA-N 2 1 381.565 0.224 20 0 GCADMP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517593437 1195196840 /nfs/dbraw/zinc/19/68/40/1195196840.db2.gz CGTWLBSBHMSMFO-INIZCTEOSA-N 2 1 382.549 0.671 20 0 GCADMP C[C@H]1C[N@@H+](CC(C)(C)O)CCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000517593437 1195196842 /nfs/dbraw/zinc/19/68/42/1195196842.db2.gz CGTWLBSBHMSMFO-INIZCTEOSA-N 2 1 382.549 0.671 20 0 GCADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517668747 1195205111 /nfs/dbraw/zinc/20/51/11/1195205111.db2.gz XOGLXTPSICNFMH-CEXWTWQISA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517668747 1195205113 /nfs/dbraw/zinc/20/51/13/1195205113.db2.gz XOGLXTPSICNFMH-CEXWTWQISA-N 2 1 394.560 0.936 20 0 GCADMP COC(=O)CCc1nnc(NC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)s1 ZINC000438318827 1195206399 /nfs/dbraw/zinc/20/63/99/1195206399.db2.gz HGZKAYUKDZAIEA-UHFFFAOYSA-N 2 1 398.533 1.133 20 0 GCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)C1 ZINC000517903263 1195227899 /nfs/dbraw/zinc/22/78/99/1195227899.db2.gz YSANURNXWSHHPJ-ZWKOTPCHSA-N 2 1 390.553 0.918 20 0 GCADMP [NH3+]C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)C1 ZINC000517903263 1195227903 /nfs/dbraw/zinc/22/79/03/1195227903.db2.gz YSANURNXWSHHPJ-ZWKOTPCHSA-N 2 1 390.553 0.918 20 0 GCADMP CN(CC1([NH+](C)C)CCC1)C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000438615627 1195230507 /nfs/dbraw/zinc/23/05/07/1195230507.db2.gz SVPYOBCLIYJKIE-QGZVFWFLSA-N 2 1 380.533 0.642 20 0 GCADMP CN1CC[NH+](CC2CCN(C(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)CC1 ZINC000517974517 1195233350 /nfs/dbraw/zinc/23/33/50/1195233350.db2.gz YNJNKHCPPVOAKU-RTBURBONSA-N 2 1 391.560 0.215 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000518353998 1195284340 /nfs/dbraw/zinc/28/43/40/1195284340.db2.gz RKQZOKBRIGZFBE-GBESFXJTSA-N 2 1 394.560 0.669 20 0 GCADMP CC(C)[C@@H]1CN(C(=O)C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@H+]1C ZINC000518353998 1195284344 /nfs/dbraw/zinc/28/43/44/1195284344.db2.gz RKQZOKBRIGZFBE-GBESFXJTSA-N 2 1 394.560 0.669 20 0 GCADMP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCC(C)CC1 ZINC000518738544 1195325196 /nfs/dbraw/zinc/32/51/96/1195325196.db2.gz XQRYXASVQRVSGC-MSOLQXFVSA-N 2 1 381.565 0.221 20 0 GCADMP C[NH+]1CCC[C@@H]1CNC(=O)C1(CC(=O)NC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434371 1195335418 /nfs/dbraw/zinc/33/54/18/1195335418.db2.gz YEYOOPHIGMTGQN-IAGOWNOFSA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@@H]1CNC(=O)CC1(C(=O)NC[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000426434371 1195335422 /nfs/dbraw/zinc/33/54/22/1195335422.db2.gz YEYOOPHIGMTGQN-IAGOWNOFSA-N 2 1 380.533 0.594 20 0 GCADMP C[NH+]1CCC[C@@H]1CNC(=O)CC1(C(=O)NC[C@H]2CCC[N@H+]2C)CCOCC1 ZINC000426434371 1195335425 /nfs/dbraw/zinc/33/54/25/1195335425.db2.gz YEYOOPHIGMTGQN-IAGOWNOFSA-N 2 1 380.533 0.594 20 0 GCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000518950549 1195349382 /nfs/dbraw/zinc/34/93/82/1195349382.db2.gz SRFYBDSIPYOGAZ-IRXDYDNUSA-N 2 1 381.565 0.365 20 0 GCADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@H]2C[N@H+](C)CCN2C)C1 ZINC000518950549 1195349386 /nfs/dbraw/zinc/34/93/86/1195349386.db2.gz SRFYBDSIPYOGAZ-IRXDYDNUSA-N 2 1 381.565 0.365 20 0 GCADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000518950547 1195349497 /nfs/dbraw/zinc/34/94/97/1195349497.db2.gz SRFYBDSIPYOGAZ-DLBZAZTESA-N 2 1 381.565 0.365 20 0 GCADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000518950547 1195349501 /nfs/dbraw/zinc/34/95/01/1195349501.db2.gz SRFYBDSIPYOGAZ-DLBZAZTESA-N 2 1 381.565 0.365 20 0 GCADMP COc1nc(N[C@@H]2CC[NH+]3CCC[C@@H]3C2)nc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000426548321 1195373740 /nfs/dbraw/zinc/37/37/40/1195373740.db2.gz MBWYOHUNBKCTNW-QBPKDAKJSA-N 2 1 387.532 0.801 20 0 GCADMP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@H+]2Cc2ccccc2)cc1 ZINC000415009884 1195394667 /nfs/dbraw/zinc/39/46/67/1195394667.db2.gz ONEQUVYOKVDIJQ-RBUKOAKNSA-N 2 1 382.464 0.835 20 0 GCADMP CN1CCC([NH+]2CCC(NC(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)CC2)CC1 ZINC000519353647 1195396022 /nfs/dbraw/zinc/39/60/22/1195396022.db2.gz UDNLEKHCBBDIFJ-SFHVURJKSA-N 2 1 394.564 0.184 20 0 GCADMP COC1CC[NH+](C(C)(C)CNC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000519380516 1195398903 /nfs/dbraw/zinc/39/89/03/1195398903.db2.gz VRHIQAWPBIRFLT-UHFFFAOYSA-N 2 1 383.537 0.339 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550098502 1195434686 /nfs/dbraw/zinc/43/46/86/1195434686.db2.gz VFUFKPUUPIELAM-GOSISDBHSA-N 2 1 382.549 0.696 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000550095951 1195434877 /nfs/dbraw/zinc/43/48/77/1195434877.db2.gz JGWGFRAAQAAWOQ-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000550095951 1195434879 /nfs/dbraw/zinc/43/48/79/1195434879.db2.gz JGWGFRAAQAAWOQ-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1 ZINC000550095951 1195434881 /nfs/dbraw/zinc/43/48/81/1195434881.db2.gz JGWGFRAAQAAWOQ-QZTJIDSGSA-N 2 1 382.549 0.840 20 0 GCADMP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000550098503 1195435023 /nfs/dbraw/zinc/43/50/23/1195435023.db2.gz VFUFKPUUPIELAM-SFHVURJKSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000550095329 1195435577 /nfs/dbraw/zinc/43/55/77/1195435577.db2.gz HMQWZXGFRRNCHW-ZWKOTPCHSA-N 2 1 382.549 0.698 20 0 GCADMP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550202469 1195460172 /nfs/dbraw/zinc/46/01/72/1195460172.db2.gz OOTBEIAMVGKGJU-HZPDHXFCSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000550205771 1195461273 /nfs/dbraw/zinc/46/12/73/1195461273.db2.gz FYBNYZDTRRZBKG-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000550205771 1195461275 /nfs/dbraw/zinc/46/12/75/1195461275.db2.gz FYBNYZDTRRZBKG-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000550205771 1195461278 /nfs/dbraw/zinc/46/12/78/1195461278.db2.gz FYBNYZDTRRZBKG-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000550205771 1195461280 /nfs/dbraw/zinc/46/12/80/1195461280.db2.gz FYBNYZDTRRZBKG-BBWFWOEESA-N 2 1 382.549 0.791 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000550265676 1195472490 /nfs/dbraw/zinc/47/24/90/1195472490.db2.gz XTERDKFICDYCPG-AWEZNQCLSA-N 2 1 382.549 0.715 20 0 GCADMP C[C@H]1CN(C(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1CC(C)(C)O ZINC000550265676 1195472494 /nfs/dbraw/zinc/47/24/94/1195472494.db2.gz XTERDKFICDYCPG-AWEZNQCLSA-N 2 1 382.549 0.715 20 0 GCADMP C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC[N@H+]3CCCC(C)(C)C3)n2)CC1 ZINC000427403644 1195533971 /nfs/dbraw/zinc/53/39/71/1195533971.db2.gz HHJIZSDSQHXFIR-UHFFFAOYSA-N 2 1 390.532 1.327 20 0 GCADMP C[C@H]1CN(CCNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)[C@@H](C)CO1 ZINC000664883775 1195551393 /nfs/dbraw/zinc/55/13/93/1195551393.db2.gz MUPDWNFYGLLBMW-DUQJVZAFSA-N 2 1 395.548 0.478 20 0 GCADMP CN1CCN(C(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519633201 1195560081 /nfs/dbraw/zinc/56/00/81/1195560081.db2.gz VQEISMHXCLESOE-VQTJNVASSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519633201 1195560083 /nfs/dbraw/zinc/56/00/83/1195560083.db2.gz VQEISMHXCLESOE-VQTJNVASSA-N 2 1 388.560 0.650 20 0 GCADMP CN1CCN(C(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000519633201 1195560086 /nfs/dbraw/zinc/56/00/86/1195560086.db2.gz VQEISMHXCLESOE-VQTJNVASSA-N 2 1 388.560 0.650 20 0 GCADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000519634797 1195561151 /nfs/dbraw/zinc/56/11/51/1195561151.db2.gz CEJRCFYEDSAQSS-KSZLIROESA-N 2 1 390.528 0.347 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000519667678 1195563208 /nfs/dbraw/zinc/56/32/08/1195563208.db2.gz POCJAKTXVAHUEK-RDJZCZTQSA-N 2 1 380.533 0.733 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441018361 1195597340 /nfs/dbraw/zinc/59/73/40/1195597340.db2.gz FZAKEISVLCQANW-KRWDZBQOSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000441018361 1195597343 /nfs/dbraw/zinc/59/73/43/1195597343.db2.gz FZAKEISVLCQANW-KRWDZBQOSA-N 2 1 396.580 0.254 20 0 GCADMP CN(C)C(=O)[C@@H]1CCC[NH+]1CCCNC(=O)NCCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441018361 1195597345 /nfs/dbraw/zinc/59/73/45/1195597345.db2.gz FZAKEISVLCQANW-KRWDZBQOSA-N 2 1 396.580 0.254 20 0 GCADMP C[C@@H]1CCC[N@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520335219 1195622190 /nfs/dbraw/zinc/62/21/90/1195622190.db2.gz JVJDCUVJCIBWCR-MSOLQXFVSA-N 2 1 380.533 0.548 20 0 GCADMP C[C@@H]1CCC[N@@H+](CCNC(=O)CC[NH+]2CCN(C(=O)[C@@H]3CCCO3)CC2)C1 ZINC000520335219 1195622192 /nfs/dbraw/zinc/62/21/92/1195622192.db2.gz JVJDCUVJCIBWCR-MSOLQXFVSA-N 2 1 380.533 0.548 20 0 GCADMP C[NH+]1CCN([C@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)c2cccs2)CC1 ZINC000520378297 1195628204 /nfs/dbraw/zinc/62/82/04/1195628204.db2.gz PXAGAQMABQSZJF-CQSZACIVSA-N 2 1 379.530 0.150 20 0 GCADMP C[NH+]1CCN([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCC2)c2cccs2)CC1 ZINC000520378296 1195628294 /nfs/dbraw/zinc/62/82/94/1195628294.db2.gz PXAGAQMABQSZJF-AWEZNQCLSA-N 2 1 379.530 0.150 20 0 GCADMP CN(CC[NH+]1CCCC1)C(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000112742168 1195641810 /nfs/dbraw/zinc/64/18/10/1195641810.db2.gz FNEIMJMKPFZRJL-UHFFFAOYSA-N 2 1 375.521 0.726 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364308 1195644295 /nfs/dbraw/zinc/64/42/95/1195644295.db2.gz LOUPERITKHRGSN-ROUUACIJSA-N 2 1 382.549 0.840 20 0 GCADMP COCC[N@H+]1CC[C@H](NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)C1 ZINC000550364309 1195644459 /nfs/dbraw/zinc/64/44/59/1195644459.db2.gz LOUPERITKHRGSN-ZWKOTPCHSA-N 2 1 382.549 0.840 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)[NH+](C)C ZINC000550367679 1195646684 /nfs/dbraw/zinc/64/66/84/1195646684.db2.gz HQGMEFKEMVVSKU-NJAFHUGGSA-N 2 1 388.512 0.967 20 0 GCADMP COc1ccccc1[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21)[NH+](C)C ZINC000550367679 1195646689 /nfs/dbraw/zinc/64/66/89/1195646689.db2.gz HQGMEFKEMVVSKU-NJAFHUGGSA-N 2 1 388.512 0.967 20 0 GCADMP CC(C)[C@@H](CNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000550383410 1195651436 /nfs/dbraw/zinc/65/14/36/1195651436.db2.gz JBVYBVAZVBJIGM-GOSISDBHSA-N 2 1 381.565 0.319 20 0 GCADMP NS(=O)(=O)c1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976695 1195652613 /nfs/dbraw/zinc/65/26/13/1195652613.db2.gz SCGZUFIPUHNRIF-LSDHHAIUSA-N 2 1 380.514 0.984 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000520447353 1195730845 /nfs/dbraw/zinc/73/08/45/1195730845.db2.gz DENLSXRNUPCJSZ-MJGOQNOKSA-N 2 1 390.528 0.802 20 0 GCADMP C[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000520447353 1195730848 /nfs/dbraw/zinc/73/08/48/1195730848.db2.gz DENLSXRNUPCJSZ-MJGOQNOKSA-N 2 1 390.528 0.802 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000729497312 1195744685 /nfs/dbraw/zinc/74/46/85/1195744685.db2.gz RKUDXWSELKWYEW-JZXOWHBKSA-N 2 1 384.546 0.357 20 0 GCADMP C[C@@H]1C[NH+](CC(C)(C)O)CCN1CCCN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000189455667 1195747494 /nfs/dbraw/zinc/74/74/94/1195747494.db2.gz WWUUCSJPTAIMHP-KDURUIRLSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@@H+](CC(C)(C)O)CCN1CCCN1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000189455667 1195747496 /nfs/dbraw/zinc/74/74/96/1195747496.db2.gz WWUUCSJPTAIMHP-KDURUIRLSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCCN1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000189455667 1195747498 /nfs/dbraw/zinc/74/74/98/1195747498.db2.gz WWUUCSJPTAIMHP-KDURUIRLSA-N 2 1 384.609 0.931 20 0 GCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983882237 1195763287 /nfs/dbraw/zinc/76/32/87/1195763287.db2.gz VTGMZHLPUYKCMA-ZJPYXAASSA-N 2 1 392.544 0.545 20 0 GCADMP C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000983882237 1195763290 /nfs/dbraw/zinc/76/32/90/1195763290.db2.gz VTGMZHLPUYKCMA-ZJPYXAASSA-N 2 1 392.544 0.545 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000520654944 1195814432 /nfs/dbraw/zinc/81/44/32/1195814432.db2.gz RMKBSXOXBBBNCJ-SOLBZPMBSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000520654944 1195814435 /nfs/dbraw/zinc/81/44/35/1195814435.db2.gz RMKBSXOXBBBNCJ-SOLBZPMBSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654944 1195814438 /nfs/dbraw/zinc/81/44/38/1195814438.db2.gz RMKBSXOXBBBNCJ-SOLBZPMBSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654944 1195814442 /nfs/dbraw/zinc/81/44/42/1195814442.db2.gz RMKBSXOXBBBNCJ-SOLBZPMBSA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000520654945 1195814677 /nfs/dbraw/zinc/81/46/77/1195814677.db2.gz RMKBSXOXBBBNCJ-XYJFISCASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@H+]1CCOC ZINC000520654945 1195814679 /nfs/dbraw/zinc/81/46/79/1195814679.db2.gz RMKBSXOXBBBNCJ-XYJFISCASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654945 1195814684 /nfs/dbraw/zinc/81/46/84/1195814684.db2.gz RMKBSXOXBBBNCJ-XYJFISCASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC[NH+]1CCOC ZINC000520654945 1195814689 /nfs/dbraw/zinc/81/46/89/1195814689.db2.gz RMKBSXOXBBBNCJ-XYJFISCASA-N 2 1 380.533 0.687 20 0 GCADMP C[C@@H]1C[N@H+](C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[NH+]4C)CC2)CCO1 ZINC000507842985 1195862771 /nfs/dbraw/zinc/86/27/71/1195862771.db2.gz ARCCZXWEWLSEEO-VBZNHOPUSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@H+]4C)CC2)CCO1 ZINC000507842985 1195862774 /nfs/dbraw/zinc/86/27/74/1195862774.db2.gz ARCCZXWEWLSEEO-VBZNHOPUSA-N 2 1 392.544 0.830 20 0 GCADMP C[C@@H]1C[NH+](C2CCN(C(=O)C(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)CCO1 ZINC000507842985 1195862779 /nfs/dbraw/zinc/86/27/79/1195862779.db2.gz ARCCZXWEWLSEEO-VBZNHOPUSA-N 2 1 392.544 0.830 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428027537 1195905468 /nfs/dbraw/zinc/90/54/68/1195905468.db2.gz ALEOZXUQZZWASI-NVXWUHKLSA-N 2 1 380.514 0.067 20 0 GCADMP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428027537 1195905470 /nfs/dbraw/zinc/90/54/70/1195905470.db2.gz ALEOZXUQZZWASI-NVXWUHKLSA-N 2 1 380.514 0.067 20 0 GCADMP COCCN1CCC([NH2+]C2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 ZINC000428072947 1195909914 /nfs/dbraw/zinc/90/99/14/1195909914.db2.gz DNJDVTOKWWPBRH-UHFFFAOYSA-N 2 1 383.514 0.769 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000474028090 1195932355 /nfs/dbraw/zinc/93/23/55/1195932355.db2.gz AZFKKETXBOAFMD-MRXNPFEDSA-N 2 1 383.537 0.108 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(S(N)(=O)=O)cc1 ZINC000520977262 1195948104 /nfs/dbraw/zinc/94/81/04/1195948104.db2.gz DJJGXYZPEUSWSB-QGZVFWFLSA-N 2 1 396.557 0.751 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000521117563 1195964389 /nfs/dbraw/zinc/96/43/89/1195964389.db2.gz WPBVGHNFIKERRU-ZWKOTPCHSA-N 2 1 378.517 0.396 20 0 GCADMP CN(C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@H+](C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000521212704 1195977347 /nfs/dbraw/zinc/97/73/47/1195977347.db2.gz KSJYNSYEHRUAIE-MRXNPFEDSA-N 2 1 395.529 0.838 20 0 GCADMP CN(C(=O)Nc1cccc(S(=O)(=O)N2CCC[N@@H+](C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000521212704 1195977349 /nfs/dbraw/zinc/97/73/49/1195977349.db2.gz KSJYNSYEHRUAIE-MRXNPFEDSA-N 2 1 395.529 0.838 20 0 GCADMP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000550457964 1195980464 /nfs/dbraw/zinc/98/04/64/1195980464.db2.gz JOMYTNANFOTWCX-IAGOWNOFSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000550457964 1195980466 /nfs/dbraw/zinc/98/04/66/1195980466.db2.gz JOMYTNANFOTWCX-IAGOWNOFSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000550457964 1195980467 /nfs/dbraw/zinc/98/04/67/1195980467.db2.gz JOMYTNANFOTWCX-IAGOWNOFSA-N 2 1 382.549 0.696 20 0 GCADMP C[NH+](CCCCC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451152380 1195983618 /nfs/dbraw/zinc/98/36/18/1195983618.db2.gz YOUNMVKSMWLQKC-CGXNFDGLSA-N 2 1 380.577 0.967 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000550458902 1195985998 /nfs/dbraw/zinc/98/59/98/1195985998.db2.gz YJODXYCPMVXHEB-ZWKOTPCHSA-N 2 1 382.549 0.696 20 0 GCADMP CC(C)C[NH+]1CCO[C@H](CNC(=O)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000550458902 1195986000 /nfs/dbraw/zinc/98/60/00/1195986000.db2.gz YJODXYCPMVXHEB-ZWKOTPCHSA-N 2 1 382.549 0.696 20 0 GCADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000521392875 1195994394 /nfs/dbraw/zinc/99/43/94/1195994394.db2.gz HXAJPSCCVDURAX-ZIFCJYIRSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000521392875 1195994396 /nfs/dbraw/zinc/99/43/96/1195994396.db2.gz HXAJPSCCVDURAX-ZIFCJYIRSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000521392875 1195994397 /nfs/dbraw/zinc/99/43/97/1195994397.db2.gz HXAJPSCCVDURAX-ZIFCJYIRSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065483 1196017871 /nfs/dbraw/zinc/01/78/71/1196017871.db2.gz ZXBHPTJBYJFCOA-UONOGXRCSA-N 2 1 380.514 0.672 20 0 GCADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000443069848 1196018010 /nfs/dbraw/zinc/01/80/10/1196018010.db2.gz KQHNMSNUNQLWEQ-QGZVFWFLSA-N 2 1 394.541 0.580 20 0 GCADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1S(=O)(=O)N(C)C ZINC000443055782 1196018145 /nfs/dbraw/zinc/01/81/45/1196018145.db2.gz BSLOQNGHQQZLPD-AWEZNQCLSA-N 2 1 398.529 0.945 20 0 GCADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000521993147 1196032963 /nfs/dbraw/zinc/03/29/63/1196032963.db2.gz JTCSLXARDKYTLG-SFHVURJKSA-N 2 1 379.549 0.071 20 0 GCADMP CC[NH+]1CCN(CCCCNC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000522016556 1196036284 /nfs/dbraw/zinc/03/62/84/1196036284.db2.gz AWVJRNGFPUXIOQ-UHFFFAOYSA-N 2 1 395.592 0.946 20 0 GCADMP C[C@H](NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)C(C)(C)C[NH+](C)C ZINC000443516405 1196064188 /nfs/dbraw/zinc/06/41/88/1196064188.db2.gz MUZIGNQIBVURAB-IRXDYDNUSA-N 2 1 382.549 0.792 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1nnnn1CC1CC1 ZINC000474089830 1196070851 /nfs/dbraw/zinc/07/08/51/1196070851.db2.gz QIUNXLYNRLUWJR-INIZCTEOSA-N 2 1 378.525 0.641 20 0 GCADMP O=C1CC2(CN1)CC[NH+](CN1C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C1=O)CC2 ZINC000840018330 1196073708 /nfs/dbraw/zinc/07/37/08/1196073708.db2.gz LIQDOTVSJPZZSG-HDICACEKSA-N 2 1 396.491 0.663 20 0 GCADMP O=C1CC2(CN1)CC[NH+](CN1C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C1=O)CC2 ZINC000840018330 1196073714 /nfs/dbraw/zinc/07/37/14/1196073714.db2.gz LIQDOTVSJPZZSG-HDICACEKSA-N 2 1 396.491 0.663 20 0 GCADMP O=C(NCC1(N2CCOCC2)CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895297328 1196078974 /nfs/dbraw/zinc/07/89/74/1196078974.db2.gz CDWPQQJZAXHAGA-QZTJIDSGSA-N 2 1 396.532 0.108 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCOCC1)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000895297328 1196078977 /nfs/dbraw/zinc/07/89/77/1196078977.db2.gz CDWPQQJZAXHAGA-QZTJIDSGSA-N 2 1 396.532 0.108 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550580952 1196092765 /nfs/dbraw/zinc/09/27/65/1196092765.db2.gz DZOMDRYUYCFMSD-ZACQAIPSSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550580952 1196092767 /nfs/dbraw/zinc/09/27/67/1196092767.db2.gz DZOMDRYUYCFMSD-ZACQAIPSSA-N 2 1 382.549 0.791 20 0 GCADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000550580952 1196092768 /nfs/dbraw/zinc/09/27/68/1196092768.db2.gz DZOMDRYUYCFMSD-ZACQAIPSSA-N 2 1 382.549 0.791 20 0 GCADMP CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895629627 1196105093 /nfs/dbraw/zinc/10/50/93/1196105093.db2.gz CFZFTPOFXRPONE-UHFFFAOYSA-N 2 1 380.533 0.500 20 0 GCADMP CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895629627 1196105095 /nfs/dbraw/zinc/10/50/95/1196105095.db2.gz CFZFTPOFXRPONE-UHFFFAOYSA-N 2 1 380.533 0.500 20 0 GCADMP CN1CCN(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC[N@@H+](C)CC1 ZINC000895639891 1196105631 /nfs/dbraw/zinc/10/56/31/1196105631.db2.gz IGBXPNNLQTWKFZ-UHFFFAOYSA-N 2 1 381.565 0.766 20 0 GCADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000114595987 1196106304 /nfs/dbraw/zinc/10/63/04/1196106304.db2.gz MOJNORXRVMXHKD-LJQANCHMSA-N 2 1 383.581 0.796 20 0 GCADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000895666966 1196107416 /nfs/dbraw/zinc/10/74/16/1196107416.db2.gz UROLHAPUWZDWDY-LSDHHAIUSA-N 2 1 379.509 0.332 20 0 GCADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000895666966 1196107417 /nfs/dbraw/zinc/10/74/17/1196107417.db2.gz UROLHAPUWZDWDY-LSDHHAIUSA-N 2 1 379.509 0.332 20 0 GCADMP COCCNc1nc(N[C@@H]2CC[NH+](C)[C@@H]2C)nc(N[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC000895739756 1196110308 /nfs/dbraw/zinc/11/03/08/1196110308.db2.gz JAKURJGWCNLSQU-KBUPBQIOSA-N 2 1 378.525 0.939 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707421 1196140005 /nfs/dbraw/zinc/14/00/05/1196140005.db2.gz AHZDJTBEOCGWEM-KBPBESRZSA-N 2 1 378.473 0.776 20 0 GCADMP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000519707421 1196140006 /nfs/dbraw/zinc/14/00/06/1196140006.db2.gz AHZDJTBEOCGWEM-KBPBESRZSA-N 2 1 378.473 0.776 20 0 GCADMP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[N@H+](CCCO)CC[C@@H]3C2)CC1 ZINC001087969332 1196140234 /nfs/dbraw/zinc/14/02/34/1196140234.db2.gz OPWQXGHQDIUHQL-WCIQWLHISA-N 2 1 379.545 0.896 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@H]3CCN(Cc4nc(N(C)C)no4)C[C@H]3C2)CC[N@H+]1C ZINC001087971708 1196142443 /nfs/dbraw/zinc/14/24/43/1196142443.db2.gz OTFLHNJWUMSEJB-LVQVYYBASA-N 2 1 376.505 0.756 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@@H+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087972017 1196142460 /nfs/dbraw/zinc/14/24/60/1196142460.db2.gz GEIKAKPERGLGIN-VSZNYVQBSA-N 2 1 390.528 0.646 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[N@H+](CCN4C(=O)CCC4=O)CC[C@@H]3C2)CC[NH+]1C ZINC001087972017 1196142461 /nfs/dbraw/zinc/14/24/61/1196142461.db2.gz GEIKAKPERGLGIN-VSZNYVQBSA-N 2 1 390.528 0.646 20 0 GCADMP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)CC1 ZINC000896468948 1196149402 /nfs/dbraw/zinc/14/94/02/1196149402.db2.gz UFOPRNJHETUFCN-SFHVURJKSA-N 2 1 379.549 0.663 20 0 GCADMP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@H]1C[N@@H+](C)CCN1C ZINC000896532513 1196153566 /nfs/dbraw/zinc/15/35/66/1196153566.db2.gz LRBYLTZFIDFGFS-RDTXWAMCSA-N 2 1 388.516 0.668 20 0 GCADMP C[C@H](NC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)[C@H]1C[N@@H+](C)CCN1C ZINC000896533263 1196153849 /nfs/dbraw/zinc/15/38/49/1196153849.db2.gz HASWWWDCXSWLFA-ARFHVFGLSA-N 2 1 385.553 0.582 20 0 GCADMP O=C([C@H]1CCC[N@H+]1C1CCOCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000329140082 1196167732 /nfs/dbraw/zinc/16/77/32/1196167732.db2.gz JFFQGPQXSNTAKG-GOSISDBHSA-N 2 1 381.517 0.316 20 0 GCADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665461501 1196187920 /nfs/dbraw/zinc/18/79/20/1196187920.db2.gz PAIMYLHQBNVFFA-IAGOWNOFSA-N 2 1 382.549 0.974 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000329354382 1196188253 /nfs/dbraw/zinc/18/82/53/1196188253.db2.gz GKAYIKRFEPREFY-RBUKOAKNSA-N 2 1 392.544 0.787 20 0 GCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000329364138 1196189364 /nfs/dbraw/zinc/18/93/64/1196189364.db2.gz HVBYJYSCQOPXPK-ZZJWQFMZSA-N 2 1 392.544 0.783 20 0 GCADMP CN(C(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000329364138 1196189366 /nfs/dbraw/zinc/18/93/66/1196189366.db2.gz HVBYJYSCQOPXPK-ZZJWQFMZSA-N 2 1 392.544 0.783 20 0 GCADMP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329461373 1196198368 /nfs/dbraw/zinc/19/83/68/1196198368.db2.gz SQAHGEBIQMUTQR-KURKYZTESA-N 2 1 378.517 0.252 20 0 GCADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCN(C(=O)[C@@H]4CCCO4)CC3)[C@@H]2C1 ZINC000329461373 1196198370 /nfs/dbraw/zinc/19/83/70/1196198370.db2.gz SQAHGEBIQMUTQR-KURKYZTESA-N 2 1 378.517 0.252 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)COc2ccccc2)CC1 ZINC000522746286 1196306141 /nfs/dbraw/zinc/30/61/41/1196306141.db2.gz RXEBMTAJPXZXHN-UHFFFAOYSA-N 2 1 383.452 0.967 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000985057569 1196335883 /nfs/dbraw/zinc/33/58/83/1196335883.db2.gz YTJLFSHDWXSNIZ-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP CC[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC000985057569 1196335889 /nfs/dbraw/zinc/33/58/89/1196335889.db2.gz YTJLFSHDWXSNIZ-BZZMCLGOSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000670984116 1196365669 /nfs/dbraw/zinc/36/56/69/1196365669.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000670984116 1196365672 /nfs/dbraw/zinc/36/56/72/1196365672.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000670984116 1196365674 /nfs/dbraw/zinc/36/56/74/1196365674.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000670984116 1196365678 /nfs/dbraw/zinc/36/56/78/1196365678.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H]1CCC[NH+](CCNC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000670984116 1196365682 /nfs/dbraw/zinc/36/56/82/1196365682.db2.gz OMGDWDSFCOLXBG-HKUYNNGSSA-N 2 1 393.576 0.461 20 0 GCADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)C1(C)C ZINC000444261461 1196369040 /nfs/dbraw/zinc/36/90/40/1196369040.db2.gz YBOROJNGGKTLKA-AUUYWEPGSA-N 2 1 376.505 0.724 20 0 GCADMP CC[NH+]1CCN(C(=O)CC2CCN(C(=O)C3(OC)CC[NH2+]CC3)CC2)CC1 ZINC000167818558 1196394643 /nfs/dbraw/zinc/39/46/43/1196394643.db2.gz OOWCGAPMJYEKRV-UHFFFAOYSA-N 2 1 380.533 0.548 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC4(CCOCC4)CC[C@H]3CO)cn2)CC1 ZINC000897175714 1196402437 /nfs/dbraw/zinc/40/24/37/1196402437.db2.gz HSHAXRZDLUDZBA-SFHVURJKSA-N 2 1 375.517 0.982 20 0 GCADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC4(CCOCC4)CC[C@H]3CO)cn2)CC1 ZINC000897175714 1196402439 /nfs/dbraw/zinc/40/24/39/1196402439.db2.gz HSHAXRZDLUDZBA-SFHVURJKSA-N 2 1 375.517 0.982 20 0 GCADMP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)(N2CCOCC2)CC1 ZINC000665719766 1196449458 /nfs/dbraw/zinc/44/94/58/1196449458.db2.gz SAJABJKGGBERJE-GOSISDBHSA-N 2 1 379.549 0.567 20 0 GCADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCCC[NH+]2CCN(CCO)CC2)C1 ZINC000444967591 1196533257 /nfs/dbraw/zinc/53/32/57/1196533257.db2.gz ASFQJMXJIPVRPL-UHFFFAOYSA-N 2 1 383.581 0.798 20 0 GCADMP CC1(C)CCC[N@H+](CCNC(=O)NCCCCN2CC[NH+](CCO)CC2)C1 ZINC000444967591 1196533260 /nfs/dbraw/zinc/53/32/60/1196533260.db2.gz ASFQJMXJIPVRPL-UHFFFAOYSA-N 2 1 383.581 0.798 20 0 GCADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)COCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000523741020 1196555766 /nfs/dbraw/zinc/55/57/66/1196555766.db2.gz RQMFFUCOKIQKES-QZTJIDSGSA-N 2 1 382.549 0.603 20 0 GCADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COC1CC[NH+](C)CC1 ZINC001719903623 1196580452 /nfs/dbraw/zinc/58/04/52/1196580452.db2.gz BCBJFPLWZNKYDG-NXHRZFHOSA-N 2 1 380.533 0.686 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000524563889 1196605661 /nfs/dbraw/zinc/60/56/61/1196605661.db2.gz MTERLMRAWLGDLE-IRXDYDNUSA-N 2 1 395.548 0.374 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639851824 1196614471 /nfs/dbraw/zinc/61/44/71/1196614471.db2.gz PRFIRPFCPIFFRZ-TZIWHRDSSA-N 2 1 375.513 0.847 20 0 GCADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639851824 1196614474 /nfs/dbraw/zinc/61/44/74/1196614474.db2.gz PRFIRPFCPIFFRZ-TZIWHRDSSA-N 2 1 375.513 0.847 20 0 GCADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639851824 1196614479 /nfs/dbraw/zinc/61/44/79/1196614479.db2.gz PRFIRPFCPIFFRZ-TZIWHRDSSA-N 2 1 375.513 0.847 20 0 GCADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](O)C[C@]2(C)CO)CC1 ZINC000639851824 1196614481 /nfs/dbraw/zinc/61/44/81/1196614481.db2.gz PRFIRPFCPIFFRZ-TZIWHRDSSA-N 2 1 375.513 0.847 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC[N@H+]1C ZINC000524780256 1196624307 /nfs/dbraw/zinc/62/43/07/1196624307.db2.gz WGBVCZZZOMHHBV-IAGOWNOFSA-N 2 1 388.516 0.902 20 0 GCADMP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)NCC[N@H+]2CCCOCC2)c1 ZINC000446559301 1196648896 /nfs/dbraw/zinc/64/88/96/1196648896.db2.gz VQUYLDVGJUCFGW-UHFFFAOYSA-N 2 1 391.516 0.500 20 0 GCADMP CCCNC(=O)NC(=O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000525372242 1196676779 /nfs/dbraw/zinc/67/67/79/1196676779.db2.gz YLHYAIHPDKGVPK-UHFFFAOYSA-N 2 1 383.537 0.638 20 0 GCADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)N3CCC[C@H](C(N)=O)C3)C2)CC1 ZINC000525684498 1196699857 /nfs/dbraw/zinc/69/98/57/1196699857.db2.gz UFDAKFOXFMEOBD-FGTMMUONSA-N 2 1 379.549 0.199 20 0 GCADMP C[C@H]([NH2+][C@@H](CO)[C@@H]1CCCO1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000447900883 1196759606 /nfs/dbraw/zinc/75/96/06/1196759606.db2.gz FHCRRHDTJFJIEG-VDGAXYAQSA-N 2 1 391.512 0.653 20 0 GCADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000528150741 1196835742 /nfs/dbraw/zinc/83/57/42/1196835742.db2.gz DCWGSQZLKVENES-AWEZNQCLSA-N 2 1 381.502 0.444 20 0 GCADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC000528603868 1196870743 /nfs/dbraw/zinc/87/07/43/1196870743.db2.gz MPOLERAFCMNKEU-PMACEKPBSA-N 2 1 375.513 0.562 20 0 GCADMP CN(C)C(=O)C[NH+]1CCC(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528716116 1196880898 /nfs/dbraw/zinc/88/08/98/1196880898.db2.gz UVKKXCDTGIKDBH-UHFFFAOYSA-N 2 1 375.473 0.843 20 0 GCADMP C[N@H+]1CCN(CCNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1(C)C ZINC000529331499 1196916166 /nfs/dbraw/zinc/91/61/66/1196916166.db2.gz SCRONMURVPZSJC-SFHVURJKSA-N 2 1 381.565 0.813 20 0 GCADMP O=C(NC[C@@H]1COCC[NH2+]1)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000529382211 1196918952 /nfs/dbraw/zinc/91/89/52/1196918952.db2.gz CKVUWLCAUXANIZ-UXHICEINSA-N 2 1 387.528 0.577 20 0 GCADMP C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000450482812 1196929589 /nfs/dbraw/zinc/92/95/89/1196929589.db2.gz DDRZGPNZSNPWQP-BKVDDVHTSA-N 2 1 388.556 0.974 20 0 GCADMP C[C@H]1[C@@H](C(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)[C@@H]1C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000450482812 1196929591 /nfs/dbraw/zinc/92/95/91/1196929591.db2.gz DDRZGPNZSNPWQP-BKVDDVHTSA-N 2 1 388.556 0.974 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[NH+](C)C1CC1 ZINC000451087846 1196969420 /nfs/dbraw/zinc/96/94/20/1196969420.db2.gz VLYHZZKTPWTFFJ-NSISKUIASA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000451087846 1196969423 /nfs/dbraw/zinc/96/94/23/1196969423.db2.gz VLYHZZKTPWTFFJ-NSISKUIASA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CN(C[C@H](O)C[NH+](C)C2CC2)C(C)(C)CN1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000451087846 1196969426 /nfs/dbraw/zinc/96/94/26/1196969426.db2.gz VLYHZZKTPWTFFJ-NSISKUIASA-N 2 1 382.593 0.681 20 0 GCADMP C[C@@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000530567125 1196996880 /nfs/dbraw/zinc/99/68/80/1196996880.db2.gz ALBLISOZMVTDLW-OAHLLOKOSA-N 2 1 389.500 0.973 20 0 GCADMP C[C@H]1CC[N@@H+](CCNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000530806700 1197017472 /nfs/dbraw/zinc/01/74/72/1197017472.db2.gz HUNIGMLWPKLPTN-KRWDZBQOSA-N 2 1 387.528 0.831 20 0 GCADMP CCC[N@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000428511631 1197152351 /nfs/dbraw/zinc/15/23/51/1197152351.db2.gz SUTVBLXIQJXMEV-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000428511631 1197152352 /nfs/dbraw/zinc/15/23/52/1197152352.db2.gz SUTVBLXIQJXMEV-ZWKOTPCHSA-N 2 1 382.549 0.936 20 0 GCADMP CC(C)[NH+]1CCC(O)(CNC(=O)[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000532375506 1197162562 /nfs/dbraw/zinc/16/25/62/1197162562.db2.gz XQUFQKBABUSFNX-NRFANRHFSA-N 2 1 375.513 0.975 20 0 GCADMP O=C1NC[C@@H]2CN(Cc3ccccc3C[N@@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175924882 1197185156 /nfs/dbraw/zinc/18/51/56/1197185156.db2.gz CGFXSYWLOGDFQP-QZTJIDSGSA-N 2 1 384.484 0.105 20 0 GCADMP O=C1NC[C@@H]2CN(Cc3ccccc3C[N@H+]3CCN4C(=O)NC[C@@H]4C3)CCN12 ZINC000175924882 1197185160 /nfs/dbraw/zinc/18/51/60/1197185160.db2.gz CGFXSYWLOGDFQP-QZTJIDSGSA-N 2 1 384.484 0.105 20 0 GCADMP CC[NH+]1CCN(C[C@@H](C)CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000176410871 1197186984 /nfs/dbraw/zinc/18/69/84/1197186984.db2.gz RYXPNJVPISLEDJ-SFHVURJKSA-N 2 1 381.565 0.766 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN2CCC([NH+](C)C)CC2)CC1=O ZINC000177149419 1197188632 /nfs/dbraw/zinc/18/86/32/1197188632.db2.gz ZOUPCOHWKQAMNO-IEBWSBKVSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000177497059 1197190474 /nfs/dbraw/zinc/19/04/74/1197190474.db2.gz VTCDYMHRNDEBBB-HDICACEKSA-N 2 1 394.560 0.936 20 0 GCADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)NCC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000177497059 1197190475 /nfs/dbraw/zinc/19/04/75/1197190475.db2.gz VTCDYMHRNDEBBB-HDICACEKSA-N 2 1 394.560 0.936 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000178693238 1197195396 /nfs/dbraw/zinc/19/53/96/1197195396.db2.gz WWUJRNIHZFMHGN-AEFFLSMTSA-N 2 1 377.533 0.809 20 0 GCADMP C[NH+]1CCN(C(=O)CCNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000178693238 1197195399 /nfs/dbraw/zinc/19/53/99/1197195399.db2.gz WWUJRNIHZFMHGN-AEFFLSMTSA-N 2 1 377.533 0.809 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000186121650 1197226722 /nfs/dbraw/zinc/22/67/22/1197226722.db2.gz SSRVHSDLWLRGDE-GOSISDBHSA-N 2 1 381.565 0.766 20 0 GCADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000532448049 1197299073 /nfs/dbraw/zinc/29/90/73/1197299073.db2.gz CYDUWPSVTJLGNZ-IAGOWNOFSA-N 2 1 381.546 0.463 20 0 GCADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000532448049 1197299076 /nfs/dbraw/zinc/29/90/76/1197299076.db2.gz CYDUWPSVTJLGNZ-IAGOWNOFSA-N 2 1 381.546 0.463 20 0 GCADMP CC[C@H](C)[NH+]1CCN(C(=O)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000454000797 1197300718 /nfs/dbraw/zinc/30/07/18/1197300718.db2.gz QRUNNKUBBNZBTH-HNNXBMFYSA-N 2 1 376.505 1.031 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000988317866 1197307825 /nfs/dbraw/zinc/30/78/25/1197307825.db2.gz ANSJKEYINQLXHF-AHCXZYCDSA-N 2 1 390.532 0.504 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C)CC[N@@H+]1C ZINC000988327980 1197309997 /nfs/dbraw/zinc/30/99/97/1197309997.db2.gz VMCMMLIBLUWEDY-XOUADPBQSA-N 2 1 377.489 0.796 20 0 GCADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCN(C(=O)c3cc(C[NH+](C)C)on3)[C@@H]2C)CC[N@H+]1C ZINC000988327980 1197310002 /nfs/dbraw/zinc/31/00/02/1197310002.db2.gz VMCMMLIBLUWEDY-XOUADPBQSA-N 2 1 377.489 0.796 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NC2CC[NH+](CCOC)CC2)CC1=O ZINC000105328851 1197326573 /nfs/dbraw/zinc/32/65/73/1197326573.db2.gz AQFQERTVXCFOLT-SJLPKXTDSA-N 2 1 380.533 0.546 20 0 GCADMP COC(=O)C1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000532568179 1197329882 /nfs/dbraw/zinc/32/98/82/1197329882.db2.gz NNXZKZGLTRDGHO-HKUYNNGSSA-N 2 1 394.560 0.887 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+]1CCOCC1 ZINC000332968031 1197348175 /nfs/dbraw/zinc/34/81/75/1197348175.db2.gz HCHKUJHZDHZZNN-ZWKOTPCHSA-N 2 1 395.548 0.291 20 0 GCADMP CC(C)[C@@H](CNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)[NH+]1CCOCC1 ZINC000332968031 1197348178 /nfs/dbraw/zinc/34/81/78/1197348178.db2.gz HCHKUJHZDHZZNN-ZWKOTPCHSA-N 2 1 395.548 0.291 20 0 GCADMP O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000729620303 1197355138 /nfs/dbraw/zinc/35/51/38/1197355138.db2.gz QCJNDSNEJCDZCB-MOPGFXCFSA-N 2 1 380.533 0.994 20 0 GCADMP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N1CCC[N@@H+](C[C@H]2CCCO2)CC1 ZINC000666670391 1197362636 /nfs/dbraw/zinc/36/26/36/1197362636.db2.gz QYBSEVWMSHRLQN-QGZVFWFLSA-N 2 1 386.496 0.984 20 0 GCADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418878952 1197390662 /nfs/dbraw/zinc/39/06/62/1197390662.db2.gz MOYXNOLSOBDHLL-SNRMKQJTSA-N 2 1 388.512 0.598 20 0 GCADMP COCC[N@@H+](C)CCCNC(=O)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897485064 1197393936 /nfs/dbraw/zinc/39/39/36/1197393936.db2.gz BYIJQJCDTFANSG-INIZCTEOSA-N 2 1 377.489 0.203 20 0 GCADMP C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)CC1 ZINC000141481214 1197396104 /nfs/dbraw/zinc/39/61/04/1197396104.db2.gz WQIPHCWLYFOQOD-SJLPKXTDSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000141481214 1197396105 /nfs/dbraw/zinc/39/61/05/1197396105.db2.gz WQIPHCWLYFOQOD-SJLPKXTDSA-N 2 1 377.533 0.951 20 0 GCADMP C[NH+]1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000141481214 1197396109 /nfs/dbraw/zinc/39/61/09/1197396109.db2.gz WQIPHCWLYFOQOD-SJLPKXTDSA-N 2 1 377.533 0.951 20 0 GCADMP C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411386 1197398987 /nfs/dbraw/zinc/39/89/87/1197398987.db2.gz QXGGVCSVZABIMY-PZJWPPBQSA-N 2 1 390.528 0.891 20 0 GCADMP C[C@@](O)(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCOCC1 ZINC000194411386 1197398990 /nfs/dbraw/zinc/39/89/90/1197398990.db2.gz QXGGVCSVZABIMY-PZJWPPBQSA-N 2 1 390.528 0.891 20 0 GCADMP OC(C[NH+]1CCC(Cn2ccnn2)CC1)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000194737028 1197399479 /nfs/dbraw/zinc/39/94/79/1197399479.db2.gz TYHANFUKYPFUSX-UHFFFAOYSA-N 2 1 388.520 0.355 20 0 GCADMP CCN1CC[NH+](Cc2ccccc2CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419349999 1197417594 /nfs/dbraw/zinc/41/75/94/1197417594.db2.gz YYJQEDRZZOKMIU-LJQANCHMSA-N 2 1 387.528 0.294 20 0 GCADMP COCC[N@@H+](C)CCOc1cccc(CNC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000419508176 1197421168 /nfs/dbraw/zinc/42/11/68/1197421168.db2.gz QNZCBUDXKPGHBC-INIZCTEOSA-N 2 1 392.500 0.080 20 0 GCADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000245821823 1197433405 /nfs/dbraw/zinc/43/34/05/1197433405.db2.gz DZRGMBQDQVNAGE-MISYRCLQSA-N 2 1 390.528 0.889 20 0 GCADMP C[C@H](CNC(=O)NC[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)C[NH+]1CCOCC1 ZINC000245821823 1197433407 /nfs/dbraw/zinc/43/34/07/1197433407.db2.gz DZRGMBQDQVNAGE-MISYRCLQSA-N 2 1 390.528 0.889 20 0 GCADMP C[NH+](C)CCN1C[C@@H](C(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1=O ZINC000074168796 1197471592 /nfs/dbraw/zinc/47/15/92/1197471592.db2.gz YQWIDPDWXWKAKJ-KRWDZBQOSA-N 2 1 380.533 0.548 20 0 GCADMP CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000246681449 1197473285 /nfs/dbraw/zinc/47/32/85/1197473285.db2.gz HEZABBMBYWVDSA-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CN1CCO[C@H](CNC(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1 ZINC000247320780 1197475690 /nfs/dbraw/zinc/47/56/90/1197475690.db2.gz GIWNEZJBQZLFKJ-IPMKNSEASA-N 2 1 376.501 0.499 20 0 GCADMP O[C@H](C[NH+]1CCC[C@@H](Cn2ccnn2)C1)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000248740987 1197480211 /nfs/dbraw/zinc/48/02/11/1197480211.db2.gz PSCFWVKWTJFNSP-REPLKXPHSA-N 2 1 388.520 0.355 20 0 GCADMP O[C@@H](C[NH+]1CCC[C@H](Cn2ccnn2)C1)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000248740987 1197480212 /nfs/dbraw/zinc/48/02/12/1197480212.db2.gz PSCFWVKWTJFNSP-REPLKXPHSA-N 2 1 388.520 0.355 20 0 GCADMP O[C@@H](C[NH+]1CCC[C@H](Cn2ccnn2)C1)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000248740987 1197480214 /nfs/dbraw/zinc/48/02/14/1197480214.db2.gz PSCFWVKWTJFNSP-REPLKXPHSA-N 2 1 388.520 0.355 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000988756676 1197504522 /nfs/dbraw/zinc/50/45/22/1197504522.db2.gz ZOLFQKZSQTWTLD-XYVMCAHJSA-N 2 1 380.533 0.543 20 0 GCADMP C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000988756676 1197504524 /nfs/dbraw/zinc/50/45/24/1197504524.db2.gz ZOLFQKZSQTWTLD-XYVMCAHJSA-N 2 1 380.533 0.543 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)C(=O)Nc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000666796332 1197504934 /nfs/dbraw/zinc/50/49/34/1197504934.db2.gz XMFVNPLBQCLXAO-KRWDZBQOSA-N 2 1 385.512 0.509 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCC2(COC)CC[NH2+]CC2)CC1=O ZINC000261724282 1197512560 /nfs/dbraw/zinc/51/25/60/1197512560.db2.gz LYZWRHQUNZUXCK-IAGOWNOFSA-N 2 1 380.533 0.452 20 0 GCADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261758431 1197513456 /nfs/dbraw/zinc/51/34/56/1197513456.db2.gz FUMRJTYVAJNQHU-WMZOPIPTSA-N 3 1 379.549 0.167 20 0 GCADMP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000261758431 1197513459 /nfs/dbraw/zinc/51/34/59/1197513459.db2.gz FUMRJTYVAJNQHU-WMZOPIPTSA-N 2 1 379.549 0.167 20 0 GCADMP O=C(C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763112 1197514194 /nfs/dbraw/zinc/51/41/94/1197514194.db2.gz GCSAOYWGBJHDHX-WBVHZDCISA-N 2 1 393.532 0.725 20 0 GCADMP O=C(C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)NC(=O)NC1CCCCC1 ZINC000261763112 1197514198 /nfs/dbraw/zinc/51/41/98/1197514198.db2.gz GCSAOYWGBJHDHX-WBVHZDCISA-N 2 1 393.532 0.725 20 0 GCADMP CCN1CCN(C(=O)[C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000261767929 1197514310 /nfs/dbraw/zinc/51/43/10/1197514310.db2.gz GJFKVCWXCMSTNQ-OKZBNKHCSA-N 2 1 379.549 0.119 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)[C@H]2C)CC[N@@H+]1C ZINC000988810292 1197529784 /nfs/dbraw/zinc/52/97/84/1197529784.db2.gz DCXHAKOZXNWWFH-XOUADPBQSA-N 2 1 377.489 0.796 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](NC(=O)c3cc(C[NH+](C)C)on3)[C@H]2C)CC[N@H+]1C ZINC000988810292 1197529789 /nfs/dbraw/zinc/52/97/89/1197529789.db2.gz DCXHAKOZXNWWFH-XOUADPBQSA-N 2 1 377.489 0.796 20 0 GCADMP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000666822234 1197535963 /nfs/dbraw/zinc/53/59/63/1197535963.db2.gz NWQODLOFEWFALN-NRFANRHFSA-N 2 1 382.464 0.837 20 0 GCADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000428634208 1197558569 /nfs/dbraw/zinc/55/85/69/1197558569.db2.gz ZJVVEDMHWRSJDE-MKXGPGLRSA-N 2 1 394.560 0.791 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508729514 1197567220 /nfs/dbraw/zinc/56/72/20/1197567220.db2.gz KCWKQANWHHHLCX-MRXNPFEDSA-N 2 1 391.516 0.800 20 0 GCADMP Cc1[nH+]ccn1CCCCNC(=O)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000508729514 1197567224 /nfs/dbraw/zinc/56/72/24/1197567224.db2.gz KCWKQANWHHHLCX-MRXNPFEDSA-N 2 1 391.516 0.800 20 0 GCADMP COCC[N@@H+](C)CCNC(=O)C(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000672003501 1198999255 /nfs/dbraw/zinc/99/92/55/1198999255.db2.gz LAYAPPGDRVNEGL-UHFFFAOYSA-N 2 1 390.528 0.724 20 0 GCADMP C[C@@H]1C[NH+](C(C)(C)CNC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H](C)O1 ZINC000626928470 1199079872 /nfs/dbraw/zinc/07/98/72/1199079872.db2.gz UMLQLHXHWIBEGS-IIAWOOMASA-N 2 1 379.509 0.500 20 0 GCADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCNC(=O)c1cnccn1 ZINC000465839570 1199081161 /nfs/dbraw/zinc/08/11/61/1199081161.db2.gz POYAHIGLCWSFFK-INIZCTEOSA-N 2 1 391.520 0.264 20 0 GCADMP O=C(NCC[N@@H+]1CCc2sccc2C1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626946647 1199082591 /nfs/dbraw/zinc/08/25/91/1199082591.db2.gz VLKAOTOIMJQADE-HNNXBMFYSA-N 2 1 375.502 0.732 20 0 GCADMP O=C(NCC[N@H+]1CCc2sccc2C1)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626946647 1199082597 /nfs/dbraw/zinc/08/25/97/1199082597.db2.gz VLKAOTOIMJQADE-HNNXBMFYSA-N 2 1 375.502 0.732 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672204399 1199159633 /nfs/dbraw/zinc/15/96/33/1199159633.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204399 1199159638 /nfs/dbraw/zinc/15/96/38/1199159638.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 2 1 379.549 0.262 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672204399 1199159642 /nfs/dbraw/zinc/15/96/42/1199159642.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672204399 1199159645 /nfs/dbraw/zinc/15/96/45/1199159645.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 2 1 379.549 0.262 20 0 GCADMP CC[NH+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672204399 1199159647 /nfs/dbraw/zinc/15/96/47/1199159647.db2.gz UIGRAGUVMFGMPP-FUHWJXTLSA-N 2 1 379.549 0.262 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206935 1199160315 /nfs/dbraw/zinc/16/03/15/1199160315.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206935 1199160320 /nfs/dbraw/zinc/16/03/20/1199160320.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)[NH+](C)C1CC1 ZINC000672206935 1199160324 /nfs/dbraw/zinc/16/03/24/1199160324.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@H+](C)C1CC1 ZINC000672206935 1199160327 /nfs/dbraw/zinc/16/03/27/1199160327.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 2 1 379.549 0.212 20 0 GCADMP C[C@@H](CNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[N@@H+](C)C1CC1 ZINC000672206935 1199160328 /nfs/dbraw/zinc/16/03/28/1199160328.db2.gz AXCOYTODSOXOQE-MAUKXSAKSA-N 3 1 379.549 0.212 20 0 GCADMP O=C(NCC1([NH+]2CCCC2)CCOCC1)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656312115 1199167541 /nfs/dbraw/zinc/16/75/41/1199167541.db2.gz SKQAUXPDZAYVBA-ROUUACIJSA-N 2 1 392.544 0.881 20 0 GCADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000265777151 1199169915 /nfs/dbraw/zinc/16/99/15/1199169915.db2.gz UPIGQCSTNZXSGR-ZWKOTPCHSA-N 2 1 375.517 0.798 20 0 GCADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465921766 1199179580 /nfs/dbraw/zinc/17/95/80/1199179580.db2.gz AECDXLGCWFTROO-IBGZPJMESA-N 2 1 383.581 0.892 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCC[NH+]1CCN(CCO)CC1 ZINC000465926060 1199183140 /nfs/dbraw/zinc/18/31/40/1199183140.db2.gz HFSBOLYQNNQZFL-MOPGFXCFSA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926060 1199183147 /nfs/dbraw/zinc/18/31/47/1199183147.db2.gz HFSBOLYQNNQZFL-MOPGFXCFSA-N 2 1 381.565 0.645 20 0 GCADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCCN1CC[NH+](CCO)CC1 ZINC000465926060 1199183152 /nfs/dbraw/zinc/18/31/52/1199183152.db2.gz HFSBOLYQNNQZFL-MOPGFXCFSA-N 2 1 381.565 0.645 20 0 GCADMP O=C(NCCCC[NH+]1CCN(CCO)CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465927853 1199185497 /nfs/dbraw/zinc/18/54/97/1199185497.db2.gz QEJRCGUIUADWTG-FQEVSTJZSA-N 2 1 395.592 0.940 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465927853 1199185502 /nfs/dbraw/zinc/18/55/02/1199185502.db2.gz QEJRCGUIUADWTG-FQEVSTJZSA-N 2 1 395.592 0.940 20 0 GCADMP O=C(NCCCCN1CC[NH+](CCO)CC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465927853 1199185506 /nfs/dbraw/zinc/18/55/06/1199185506.db2.gz QEJRCGUIUADWTG-FQEVSTJZSA-N 2 1 395.592 0.940 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304022 1199197453 /nfs/dbraw/zinc/19/74/53/1199197453.db2.gz FFHPXFAGRZURBL-FUHWJXTLSA-N 2 1 378.517 0.204 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000672304024 1199198245 /nfs/dbraw/zinc/19/82/45/1199198245.db2.gz FFHPXFAGRZURBL-WMZOPIPTSA-N 2 1 378.517 0.204 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000672308259 1199198703 /nfs/dbraw/zinc/19/87/03/1199198703.db2.gz GWKGEZIUVMRBFW-ZWKOTPCHSA-N 2 1 378.517 0.158 20 0 GCADMP O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000672311831 1199202281 /nfs/dbraw/zinc/20/22/81/1199202281.db2.gz MWOCUXMIYDZXOD-SFHVURJKSA-N 2 1 378.517 0.158 20 0 GCADMP CC(C)OCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000672311917 1199202589 /nfs/dbraw/zinc/20/25/89/1199202589.db2.gz VQLIDFVXQJWAQE-GOSISDBHSA-N 2 1 380.533 0.593 20 0 GCADMP O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000672311830 1199203213 /nfs/dbraw/zinc/20/32/13/1199203213.db2.gz MWOCUXMIYDZXOD-GOSISDBHSA-N 2 1 378.517 0.158 20 0 GCADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000672310469 1199203374 /nfs/dbraw/zinc/20/33/74/1199203374.db2.gz VNMFJUGYTCYKDP-DOTOQJQBSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000672310469 1199203376 /nfs/dbraw/zinc/20/33/76/1199203376.db2.gz VNMFJUGYTCYKDP-DOTOQJQBSA-N 2 1 378.517 0.299 20 0 GCADMP C[C@H]1C[NH+](C2CCOCC2)CCN1C(=O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000672310469 1199203379 /nfs/dbraw/zinc/20/33/79/1199203379.db2.gz VNMFJUGYTCYKDP-DOTOQJQBSA-N 2 1 378.517 0.299 20 0 GCADMP C[N@H+]1CC[C@H]2CCN(C(=O)C(=O)NCC3([NH+]4CCCC4)CCOCC3)[C@@H]2C1 ZINC000672313429 1199204831 /nfs/dbraw/zinc/20/48/31/1199204831.db2.gz BLBUMUIGBODMKI-DLBZAZTESA-N 2 1 378.517 0.300 20 0 GCADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000672313122 1199205899 /nfs/dbraw/zinc/20/58/99/1199205899.db2.gz LCKIHTDUKKLGIF-ZWKOTPCHSA-N 2 1 392.544 0.690 20 0 GCADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000465952340 1199217953 /nfs/dbraw/zinc/21/79/53/1199217953.db2.gz OJMPMUNLGJJFFS-GOSISDBHSA-N 2 1 395.548 0.328 20 0 GCADMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)C1 ZINC001002825208 1199281885 /nfs/dbraw/zinc/28/18/85/1199281885.db2.gz UFQSLVUZXWKAAA-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)[N@H+]1CCO[C@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C[NH+]2CCCC2)C3)C1 ZINC001002825208 1199281887 /nfs/dbraw/zinc/28/18/87/1199281887.db2.gz UFQSLVUZXWKAAA-BDXSIMOUSA-N 2 1 378.517 0.440 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672638513 1199288690 /nfs/dbraw/zinc/28/86/90/1199288690.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638513 1199288693 /nfs/dbraw/zinc/28/86/93/1199288693.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672638513 1199288694 /nfs/dbraw/zinc/28/86/94/1199288694.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672638513 1199288698 /nfs/dbraw/zinc/28/86/98/1199288698.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 2 1 393.576 0.365 20 0 GCADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672638513 1199288702 /nfs/dbraw/zinc/28/87/02/1199288702.db2.gz RSZYUZFWXQIQSV-ZWKOTPCHSA-N 2 1 393.576 0.365 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000672638228 1199290540 /nfs/dbraw/zinc/29/05/40/1199290540.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638228 1199290546 /nfs/dbraw/zinc/29/05/46/1199290546.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000672638228 1199290551 /nfs/dbraw/zinc/29/05/51/1199290551.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672638228 1199290553 /nfs/dbraw/zinc/29/05/53/1199290553.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 2 1 393.576 0.652 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672638228 1199290561 /nfs/dbraw/zinc/29/05/61/1199290561.db2.gz RBDGFKPQBPTDSG-QZTJIDSGSA-N 2 1 393.576 0.652 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640473 1199294072 /nfs/dbraw/zinc/29/40/72/1199294072.db2.gz JHTSYPCHRHCLDP-GOSISDBHSA-N 2 1 395.592 0.852 20 0 GCADMP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640473 1199294077 /nfs/dbraw/zinc/29/40/77/1199294077.db2.gz JHTSYPCHRHCLDP-GOSISDBHSA-N 2 1 395.592 0.852 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000672640206 1199296622 /nfs/dbraw/zinc/29/66/22/1199296622.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640206 1199296626 /nfs/dbraw/zinc/29/66/26/1199296626.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000672640206 1199296627 /nfs/dbraw/zinc/29/66/27/1199296627.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000672640206 1199296630 /nfs/dbraw/zinc/29/66/30/1199296630.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP CCC[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000672640206 1199296633 /nfs/dbraw/zinc/29/66/33/1199296633.db2.gz XHBDRGUPXDJMGT-QZTJIDSGSA-N 2 1 393.576 0.461 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000672640633 1199297465 /nfs/dbraw/zinc/29/74/65/1199297465.db2.gz DYUADZDRMYOXQB-SJLPKXTDSA-N 2 1 393.576 0.460 20 0 GCADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000672640633 1199297468 /nfs/dbraw/zinc/29/74/68/1199297468.db2.gz DYUADZDRMYOXQB-SJLPKXTDSA-N 2 1 393.576 0.460 20 0 GCADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640978 1199298462 /nfs/dbraw/zinc/29/84/62/1199298462.db2.gz HXJLNVHYIGFGFA-WMZOPIPTSA-N 2 1 395.592 0.754 20 0 GCADMP CN1CCC([N@H+]2CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C2)CC1 ZINC000672640978 1199298463 /nfs/dbraw/zinc/29/84/63/1199298463.db2.gz HXJLNVHYIGFGFA-WMZOPIPTSA-N 2 1 395.592 0.754 20 0 GCADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000672655471 1199309690 /nfs/dbraw/zinc/30/96/90/1199309690.db2.gz PBNKRNAWNDWXEG-IAGOWNOFSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000672655471 1199309695 /nfs/dbraw/zinc/30/96/95/1199309695.db2.gz PBNKRNAWNDWXEG-IAGOWNOFSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000672655471 1199309699 /nfs/dbraw/zinc/30/96/99/1199309699.db2.gz PBNKRNAWNDWXEG-IAGOWNOFSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000672655471 1199309704 /nfs/dbraw/zinc/30/97/04/1199309704.db2.gz PBNKRNAWNDWXEG-IAGOWNOFSA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000672655475 1199309902 /nfs/dbraw/zinc/30/99/02/1199309902.db2.gz PBNKRNAWNDWXEG-SJORKVTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000672655475 1199309906 /nfs/dbraw/zinc/30/99/06/1199309906.db2.gz PBNKRNAWNDWXEG-SJORKVTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000672655475 1199309912 /nfs/dbraw/zinc/30/99/12/1199309912.db2.gz PBNKRNAWNDWXEG-SJORKVTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000672655475 1199309915 /nfs/dbraw/zinc/30/99/15/1199309915.db2.gz PBNKRNAWNDWXEG-SJORKVTESA-N 2 1 382.549 0.671 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000672655521 1199310286 /nfs/dbraw/zinc/31/02/86/1199310286.db2.gz AMHZSXZLHLACHS-MOPGFXCFSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000672655521 1199310294 /nfs/dbraw/zinc/31/02/94/1199310294.db2.gz AMHZSXZLHLACHS-MOPGFXCFSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672655521 1199310299 /nfs/dbraw/zinc/31/02/99/1199310299.db2.gz AMHZSXZLHLACHS-MOPGFXCFSA-N 2 1 393.576 0.606 20 0 GCADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000672655600 1199310553 /nfs/dbraw/zinc/31/05/53/1199310553.db2.gz MDDKRYVDYARNBS-LJQANCHMSA-N 2 1 394.560 0.938 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000672690350 1199316766 /nfs/dbraw/zinc/31/67/66/1199316766.db2.gz CJJXPXGDTCDJHS-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP CCC[C@@H]1CN(C(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)CC[N@H+]1CCOC ZINC000672690350 1199316773 /nfs/dbraw/zinc/31/67/73/1199316773.db2.gz CJJXPXGDTCDJHS-QZTJIDSGSA-N 2 1 382.549 0.936 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672856063 1199349028 /nfs/dbraw/zinc/34/90/28/1199349028.db2.gz LHNHJEJYADXVKN-SZMVWBNQSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1C[NH+](C)CCO1 ZINC000672856063 1199349033 /nfs/dbraw/zinc/34/90/33/1199349033.db2.gz LHNHJEJYADXVKN-SZMVWBNQSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1C[N@H+](C)CCO1 ZINC000672856063 1199349037 /nfs/dbraw/zinc/34/90/37/1199349037.db2.gz LHNHJEJYADXVKN-SZMVWBNQSA-N 2 1 380.533 0.735 20 0 GCADMP C[C@H](NC(=O)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1C[N@@H+](C)CCO1 ZINC000672856063 1199349044 /nfs/dbraw/zinc/34/90/44/1199349044.db2.gz LHNHJEJYADXVKN-SZMVWBNQSA-N 2 1 380.533 0.735 20 0 GCADMP C[NH+]1CCN(CCNC(=O)C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)CC1(C)C ZINC000672854506 1199352067 /nfs/dbraw/zinc/35/20/67/1199352067.db2.gz HLPQLINSUCVOCT-IAGOWNOFSA-N 2 1 379.549 0.071 20 0 GCADMP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1CCO ZINC000672957620 1199376976 /nfs/dbraw/zinc/37/69/76/1199376976.db2.gz QYECJUSISKMKJC-ROUUACIJSA-N 2 1 382.549 0.852 20 0 GCADMP C[NH+](C)CCOc1cc(CNC(=O)N2CC[N@@H+](CCO)C(C)(C)C2)ccn1 ZINC000672989408 1199388605 /nfs/dbraw/zinc/38/86/05/1199388605.db2.gz VDAKMWFIIUKMJK-UHFFFAOYSA-N 2 1 379.505 0.620 20 0 GCADMP C[C@H](NC(=O)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1C[N@@H+](C)CCO1 ZINC000673096079 1199417592 /nfs/dbraw/zinc/41/75/92/1199417592.db2.gz XCQKSKFPMPVHFW-MAUKXSAKSA-N 2 1 388.512 0.037 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)CC[N@@H+]1C ZINC001003159941 1199436414 /nfs/dbraw/zinc/43/64/14/1199436414.db2.gz JZLUZYFFWUVOLA-ZRSRNVLSSA-N 2 1 392.544 0.687 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[NH+]2CCOCC2)CC[N@H+]1C ZINC001003159941 1199436434 /nfs/dbraw/zinc/43/64/34/1199436434.db2.gz JZLUZYFFWUVOLA-ZRSRNVLSSA-N 2 1 392.544 0.687 20 0 GCADMP CCOCCN1CCN(C(=O)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000673275925 1199511721 /nfs/dbraw/zinc/51/17/21/1199511721.db2.gz BGNAXTVOXVRCDF-SFHVURJKSA-N 2 1 382.549 0.794 20 0 GCADMP C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@H+]1C1CC1 ZINC000627349307 1199536055 /nfs/dbraw/zinc/53/60/55/1199536055.db2.gz JFNYZSDYQCSWBY-OWTLIXCDSA-N 2 1 376.423 0.714 20 0 GCADMP CCC[N@@H+](CC)CCNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000673337142 1199549936 /nfs/dbraw/zinc/54/99/36/1199549936.db2.gz HUMAJKXBGFCUAN-ZWKOTPCHSA-N 2 1 382.549 0.719 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000673427681 1199631442 /nfs/dbraw/zinc/63/14/42/1199631442.db2.gz IQMFMVCNDQNVPW-ROUUACIJSA-N 2 1 380.533 0.690 20 0 GCADMP C[C@H]1C[N@@H+](CCCNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)CCCO1 ZINC000673427290 1199632389 /nfs/dbraw/zinc/63/23/89/1199632389.db2.gz ZZOBOZKKPRRHDF-KRWDZBQOSA-N 2 1 398.548 0.173 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)[NH+]2CCCC2)O1 ZINC001003704589 1199640137 /nfs/dbraw/zinc/64/01/37/1199640137.db2.gz XHCMKFPAPOVVDM-HSFUPAIVSA-N 2 1 392.544 0.828 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)C(C)(C)[NH+]2CCCC2)O1 ZINC001003704589 1199640140 /nfs/dbraw/zinc/64/01/40/1199640140.db2.gz XHCMKFPAPOVVDM-HSFUPAIVSA-N 2 1 392.544 0.828 20 0 GCADMP CC[N@@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003749960 1199651695 /nfs/dbraw/zinc/65/16/95/1199651695.db2.gz WXBOADNKTWVGOD-ZJPYXAASSA-N 2 1 378.517 0.297 20 0 GCADMP CC[N@H+]1CCO[C@@H](C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)C2CC[NH+](C)CC2)C3)C1 ZINC001003749960 1199651696 /nfs/dbraw/zinc/65/16/96/1199651696.db2.gz WXBOADNKTWVGOD-ZJPYXAASSA-N 2 1 378.517 0.297 20 0 GCADMP COC(CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543328411 1199658017 /nfs/dbraw/zinc/65/80/17/1199658017.db2.gz IOVSVVPZIVHVAT-WNKDZCFJSA-N 2 1 382.549 0.979 20 0 GCADMP CO[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000543328406 1199658340 /nfs/dbraw/zinc/65/83/40/1199658340.db2.gz IOVSVVPZIVHVAT-NNPSNHGLSA-N 2 1 382.549 0.979 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000673446847 1199663871 /nfs/dbraw/zinc/66/38/71/1199663871.db2.gz OTAGSPBXZURLPT-LHHMISFZSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000673446847 1199663874 /nfs/dbraw/zinc/66/38/74/1199663874.db2.gz OTAGSPBXZURLPT-LHHMISFZSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673446847 1199663875 /nfs/dbraw/zinc/66/38/75/1199663875.db2.gz OTAGSPBXZURLPT-LHHMISFZSA-N 2 1 380.533 0.591 20 0 GCADMP C[C@@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000673446847 1199663877 /nfs/dbraw/zinc/66/38/77/1199663877.db2.gz OTAGSPBXZURLPT-LHHMISFZSA-N 2 1 380.533 0.591 20 0 GCADMP CC(C)[C@@H]1C[C@@H](NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCO1 ZINC000673469360 1199685602 /nfs/dbraw/zinc/68/56/02/1199685602.db2.gz GUFOWMNYVHZVJX-WDSOQIARSA-N 2 1 394.560 0.933 20 0 GCADMP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CCC[N@@H+](CCN2CCOCC2)C1 ZINC000922350820 1199742795 /nfs/dbraw/zinc/74/27/95/1199742795.db2.gz KEVJTVCWYMNHNI-GOSISDBHSA-N 2 1 382.549 0.258 20 0 GCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCC[N@H+](CCN3CCOCC3)C1)CC2 ZINC000922347854 1199743477 /nfs/dbraw/zinc/74/34/77/1199743477.db2.gz ZRRGCBTWCVJOFC-QZTJIDSGSA-N 2 1 375.517 0.667 20 0 GCADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCN3CCOCC3)C1)CC2 ZINC000922347854 1199743481 /nfs/dbraw/zinc/74/34/81/1199743481.db2.gz ZRRGCBTWCVJOFC-QZTJIDSGSA-N 2 1 375.517 0.667 20 0 GCADMP Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCOCC2)c(OCC[NH+](C)C)c1 ZINC000265861194 1199768882 /nfs/dbraw/zinc/76/88/82/1199768882.db2.gz XDEMFMUMCVKAFA-UHFFFAOYSA-N 2 1 392.500 0.712 20 0 GCADMP CC[N@H+]1CCCN(C(=O)C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000673585360 1199832033 /nfs/dbraw/zinc/83/20/33/1199832033.db2.gz JUSFVPJGDVWWMK-QZTJIDSGSA-N 2 1 380.533 0.425 20 0 GCADMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(O)CCC4(CC3)OCCO4)cn2)CC1 ZINC000922625138 1199842252 /nfs/dbraw/zinc/84/22/52/1199842252.db2.gz ZFXVBMUUUPKDDH-UHFFFAOYSA-N 2 1 377.489 0.366 20 0 GCADMP C[NH+]1CCC(O)(CNC(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000265898975 1199891273 /nfs/dbraw/zinc/89/12/73/1199891273.db2.gz XQSRRFMOAXEOCM-UHFFFAOYSA-N 2 1 393.507 0.704 20 0 GCADMP C[N@H+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000673672322 1199926797 /nfs/dbraw/zinc/92/67/97/1199926797.db2.gz CBZWHJJNFKODRG-IFMALSPDSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672322 1199926800 /nfs/dbraw/zinc/92/68/00/1199926800.db2.gz CBZWHJJNFKODRG-IFMALSPDSA-N 2 1 386.540 0.862 20 0 GCADMP C[NH+]1CCC[C@@H](N2CCN(C(=O)[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000673672322 1199926802 /nfs/dbraw/zinc/92/68/02/1199926802.db2.gz CBZWHJJNFKODRG-IFMALSPDSA-N 2 1 386.540 0.862 20 0 GCADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706988 1199931065 /nfs/dbraw/zinc/93/10/65/1199931065.db2.gz MHOBTCADXTYOBL-WOJBJXKFSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000673706988 1199931069 /nfs/dbraw/zinc/93/10/69/1199931069.db2.gz MHOBTCADXTYOBL-WOJBJXKFSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000673706988 1199931071 /nfs/dbraw/zinc/93/10/71/1199931071.db2.gz MHOBTCADXTYOBL-WOJBJXKFSA-N 2 1 393.576 0.766 20 0 GCADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCN3CCOCC3)C2)C1 ZINC000673706987 1199931166 /nfs/dbraw/zinc/93/11/66/1199931166.db2.gz MHOBTCADXTYOBL-VQTJNVASSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CCN3CCOCC3)C2)C1 ZINC000673706987 1199931167 /nfs/dbraw/zinc/93/11/67/1199931167.db2.gz MHOBTCADXTYOBL-VQTJNVASSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](CCN3CCOCC3)C2)C1 ZINC000673706987 1199931169 /nfs/dbraw/zinc/93/11/69/1199931169.db2.gz MHOBTCADXTYOBL-VQTJNVASSA-N 2 1 393.576 0.766 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccco1 ZINC000670526488 1200403930 /nfs/dbraw/zinc/40/39/30/1200403930.db2.gz YPOHZZRUVUWMMX-IAGOWNOFSA-N 2 1 391.516 0.237 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccco1 ZINC000670526488 1200403938 /nfs/dbraw/zinc/40/39/38/1200403938.db2.gz YPOHZZRUVUWMMX-IAGOWNOFSA-N 2 1 391.516 0.237 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000670526818 1200404515 /nfs/dbraw/zinc/40/45/15/1200404515.db2.gz PHXMELJWRDUDJU-ZWKOTPCHSA-N 2 1 392.544 0.881 20 0 GCADMP O=C(NCC1([NH+]2CCOCC2)CCCCC1)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000670526818 1200404518 /nfs/dbraw/zinc/40/45/18/1200404518.db2.gz PHXMELJWRDUDJU-ZWKOTPCHSA-N 2 1 392.544 0.881 20 0 GCADMP COCCCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003773 1200409034 /nfs/dbraw/zinc/40/90/34/1200409034.db2.gz GOIYBTDLTROLLS-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003773 1200409044 /nfs/dbraw/zinc/40/90/44/1200409044.db2.gz GOIYBTDLTROLLS-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP COCCCCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](n2ccnn2)C1 ZINC001129003773 1200409055 /nfs/dbraw/zinc/40/90/55/1200409055.db2.gz GOIYBTDLTROLLS-TVFCKZIOSA-N 2 1 378.521 0.777 20 0 GCADMP CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1=O ZINC000246525176 1200410004 /nfs/dbraw/zinc/41/00/04/1200410004.db2.gz WBVVKGAIKUCAFI-GUDVDZBRSA-N 2 1 394.560 0.888 20 0 GCADMP CS(=O)(=O)N1CCN(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000675817287 1200461649 /nfs/dbraw/zinc/46/16/49/1200461649.db2.gz NLXFKCUHLAPVAE-UHFFFAOYSA-N 2 1 394.585 0.860 20 0 GCADMP C[N@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)CC2)C1 ZINC000676169428 1200505054 /nfs/dbraw/zinc/50/50/54/1200505054.db2.gz XLZOOPLSGYNKAZ-ZCNNSNEGSA-N 2 1 393.576 0.786 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1C[N@H+](C)CCO1 ZINC000676278235 1200527168 /nfs/dbraw/zinc/52/71/68/1200527168.db2.gz GJRXTPIZTPPDET-YOEHRIQHSA-N 2 1 378.473 0.401 20 0 GCADMP C[C@H](NC(=O)C(=O)Nc1cccc(OCC[NH+](C)C)c1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676278235 1200527171 /nfs/dbraw/zinc/52/71/71/1200527171.db2.gz GJRXTPIZTPPDET-YOEHRIQHSA-N 2 1 378.473 0.401 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279760 1200530706 /nfs/dbraw/zinc/53/07/06/1200530706.db2.gz PVJFELKWQVLWLG-MAUKXSAKSA-N 2 1 392.500 0.709 20 0 GCADMP Cc1ccc(NC(=O)C(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c(OCC[NH+](C)C)c1 ZINC000676279760 1200530710 /nfs/dbraw/zinc/53/07/10/1200530710.db2.gz PVJFELKWQVLWLG-MAUKXSAKSA-N 2 1 392.500 0.709 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676303363 1200541941 /nfs/dbraw/zinc/54/19/41/1200541941.db2.gz AOVAPGPJIUBDKY-XKGZKEIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[NH+](C)CCO1 ZINC000676303363 1200541948 /nfs/dbraw/zinc/54/19/48/1200541948.db2.gz AOVAPGPJIUBDKY-XKGZKEIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@H+](C)CCO1 ZINC000676303363 1200541955 /nfs/dbraw/zinc/54/19/55/1200541955.db2.gz AOVAPGPJIUBDKY-XKGZKEIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+](C)CCO1 ZINC000676303363 1200541962 /nfs/dbraw/zinc/54/19/62/1200541962.db2.gz AOVAPGPJIUBDKY-XKGZKEIXSA-N 2 1 376.501 0.642 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[NH+](C)CCO1 ZINC000676305706 1200542005 /nfs/dbraw/zinc/54/20/05/1200542005.db2.gz IKYQXLXBZKHDPB-MTFMMBMASA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[NH+](C)CCO1 ZINC000676305706 1200542011 /nfs/dbraw/zinc/54/20/11/1200542011.db2.gz IKYQXLXBZKHDPB-MTFMMBMASA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[N@H+](C)CCO1 ZINC000676305706 1200542017 /nfs/dbraw/zinc/54/20/17/1200542017.db2.gz IKYQXLXBZKHDPB-MTFMMBMASA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[N@@H+](C)CCO1 ZINC000676305706 1200542024 /nfs/dbraw/zinc/54/20/24/1200542024.db2.gz IKYQXLXBZKHDPB-MTFMMBMASA-N 2 1 390.528 0.888 20 0 GCADMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000365890735 1200651759 /nfs/dbraw/zinc/65/17/59/1200651759.db2.gz WCIUXPIQQLGRMY-MRXNPFEDSA-N 2 1 377.537 1.297 20 0 GCADMP CO[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000625776768 1200657343 /nfs/dbraw/zinc/65/73/43/1200657343.db2.gz PPLQRYKPHKDSTB-OKYOBFRVSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[NH+](C)[C@H](C(C)C)C2)C1 ZINC000625776768 1200657348 /nfs/dbraw/zinc/65/73/48/1200657348.db2.gz PPLQRYKPHKDSTB-OKYOBFRVSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)C1 ZINC000625776768 1200657350 /nfs/dbraw/zinc/65/73/50/1200657350.db2.gz PPLQRYKPHKDSTB-OKYOBFRVSA-N 2 1 394.560 0.885 20 0 GCADMP CO[C@H]1CC[NH+]([C@@H]2CCC[C@@H]2N(C)C(=O)C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)C1 ZINC000625776768 1200657356 /nfs/dbraw/zinc/65/73/56/1200657356.db2.gz PPLQRYKPHKDSTB-OKYOBFRVSA-N 2 1 394.560 0.885 20 0 GCADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C[C@@H](C)C1 ZINC000560146843 1200700111 /nfs/dbraw/zinc/70/01/11/1200700111.db2.gz DVASFBKSARCOFJ-ZOBUZTSGSA-N 2 1 382.468 1.395 20 0 GCADMP CC(C)[C@@H](CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)N1CC[NH+](C)CC1 ZINC000369656331 1200753811 /nfs/dbraw/zinc/75/38/11/1200753811.db2.gz QSOQWPWEQNZUNG-GOSISDBHSA-N 2 1 391.564 1.543 20 0 GCADMP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000477087300 1200820777 /nfs/dbraw/zinc/82/07/77/1200820777.db2.gz WDASYSSPJHTYDI-QRVBRYPASA-N 2 1 395.592 0.850 20 0 GCADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC000552997920 1200897488 /nfs/dbraw/zinc/89/74/88/1200897488.db2.gz IIDIVJMVOGBICL-UHFFFAOYSA-N 2 1 391.516 1.576 20 0 GCADMP C[NH+]1CC[C@@H]2CC[C@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000923290762 1200929237 /nfs/dbraw/zinc/92/92/37/1200929237.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 2 1 378.517 0.393 20 0 GCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923290762 1200929245 /nfs/dbraw/zinc/92/92/45/1200929245.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 2 1 378.517 0.393 20 0 GCADMP C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COCC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000923290762 1200929246 /nfs/dbraw/zinc/92/92/46/1200929246.db2.gz KVPHFWWPWFRFPK-FZDBZEDMSA-N 2 1 378.517 0.393 20 0 GCADMP c1nc(NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)cc(NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC000364863151 1200950827 /nfs/dbraw/zinc/95/08/27/1200950827.db2.gz JOIJMKORSHLSJA-BRSBDYLESA-N 2 1 388.516 1.027 20 0 GCADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369632793 1201016487 /nfs/dbraw/zinc/01/64/87/1201016487.db2.gz YUGOJZWYGLYMRS-INIZCTEOSA-N 2 1 390.532 1.469 20 0 GCADMP O=S(=O)(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000923592163 1201173201 /nfs/dbraw/zinc/17/32/01/1201173201.db2.gz PCZGQXCRNUSISH-UHFFFAOYSA-N 2 1 395.573 0.324 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)O1 ZINC001079154598 1201248804 /nfs/dbraw/zinc/24/88/04/1201248804.db2.gz LXSHSPAQIITJDZ-ZWQIFLOQSA-N 2 1 379.476 0.811 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](c3ccc(F)cc3)[C@H]([NH2+]CCO)C2)O1 ZINC001079154598 1201248809 /nfs/dbraw/zinc/24/88/09/1201248809.db2.gz LXSHSPAQIITJDZ-ZWQIFLOQSA-N 2 1 379.476 0.811 20 0 GCADMP C[C@@H]1C[N@@H+](CCn2cncn2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001079718654 1201255263 /nfs/dbraw/zinc/25/52/63/1201255263.db2.gz OMPNBCMBNQLRBI-OWYHZJEWSA-N 2 1 390.532 0.462 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cn(C)nn1 ZINC001082518342 1201336563 /nfs/dbraw/zinc/33/65/63/1201336563.db2.gz LMGFYJBFUDWKAZ-AXUOBQJMSA-N 2 1 390.532 0.499 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1C1CCOCC1 ZINC001082520405 1201337632 /nfs/dbraw/zinc/33/76/32/1201337632.db2.gz UXAWPZPPJCAWJH-MUIFIZLQSA-N 2 1 391.520 0.301 20 0 GCADMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]Cc1nnnn1C1CCOCC1 ZINC001082520405 1201337637 /nfs/dbraw/zinc/33/76/37/1201337637.db2.gz UXAWPZPPJCAWJH-MUIFIZLQSA-N 2 1 391.520 0.301 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC001082590345 1201340405 /nfs/dbraw/zinc/34/04/05/1201340405.db2.gz QUNQJXMHBHGWGQ-JOCBIADPSA-N 2 1 375.517 0.803 20 0 GCADMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC001082590345 1201340408 /nfs/dbraw/zinc/34/04/08/1201340408.db2.gz QUNQJXMHBHGWGQ-JOCBIADPSA-N 2 1 375.517 0.803 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[NH+](CCCN4CCCC4=O)C[C@@H]32)CC[N@H+]1C ZINC001083087684 1201384839 /nfs/dbraw/zinc/38/48/39/1201384839.db2.gz YCMVTSCQIULOKM-ZSYWTGECSA-N 2 1 392.544 0.641 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@H+](CCCN4CCCC4=O)C[C@@H]32)CC[NH+]1C ZINC001083087684 1201384847 /nfs/dbraw/zinc/38/48/47/1201384847.db2.gz YCMVTSCQIULOKM-ZSYWTGECSA-N 2 1 392.544 0.641 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H]3C[N@@H+](CCCN4CCCC4=O)C[C@@H]32)CC[NH+]1C ZINC001083087684 1201384851 /nfs/dbraw/zinc/38/48/51/1201384851.db2.gz YCMVTSCQIULOKM-ZSYWTGECSA-N 2 1 392.544 0.641 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC001084447405 1201412479 /nfs/dbraw/zinc/41/24/79/1201412479.db2.gz LZERGWDLYFHWES-MUIFIZLQSA-N 2 1 381.908 0.788 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@H]3CCN(CCn4cc(Cl)cn4)C[C@H]32)O1 ZINC001084447405 1201412482 /nfs/dbraw/zinc/41/24/82/1201412482.db2.gz LZERGWDLYFHWES-MUIFIZLQSA-N 2 1 381.908 0.788 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970095 1201514148 /nfs/dbraw/zinc/51/41/48/1201514148.db2.gz NVNAGNJWEJKWQU-OQIJWPOYSA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970095 1201514151 /nfs/dbraw/zinc/51/41/51/1201514151.db2.gz NVNAGNJWEJKWQU-OQIJWPOYSA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970095 1201514155 /nfs/dbraw/zinc/51/41/55/1201514155.db2.gz NVNAGNJWEJKWQU-OQIJWPOYSA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCc4cnn(C)c4)[C@H]3C2)O1 ZINC001084970095 1201514158 /nfs/dbraw/zinc/51/41/58/1201514158.db2.gz NVNAGNJWEJKWQU-OQIJWPOYSA-N 2 1 375.517 0.605 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)O1 ZINC001084969972 1201514501 /nfs/dbraw/zinc/51/45/01/1201514501.db2.gz HLWYFHOXVUDOHV-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CC[NH+](CCN4CCCC4=O)[C@H]3C2)O1 ZINC001084969972 1201514502 /nfs/dbraw/zinc/51/45/02/1201514502.db2.gz HLWYFHOXVUDOHV-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@H+](CCN4CCCC4=O)[C@H]3C2)O1 ZINC001084969972 1201514503 /nfs/dbraw/zinc/51/45/03/1201514503.db2.gz HLWYFHOXVUDOHV-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N2CC[C@H]3CC[N@@H+](CCN4CCCC4=O)[C@H]3C2)O1 ZINC001084969972 1201514506 /nfs/dbraw/zinc/51/45/06/1201514506.db2.gz HLWYFHOXVUDOHV-ZJPYXAASSA-N 2 1 378.517 0.251 20 0 GCADMP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC000733160278 1201578249 /nfs/dbraw/zinc/57/82/49/1201578249.db2.gz FQTABMTZMZSQSX-UHFFFAOYSA-N 2 1 382.549 0.795 20 0 GCADMP CN1CCN(C(=O)CC[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC1 ZINC000282625611 1201617981 /nfs/dbraw/zinc/61/79/81/1201617981.db2.gz ALXHLVVNQSWUPW-UHFFFAOYSA-N 2 1 391.491 0.546 20 0 GCADMP CC[NH+]1CCN(c2ccc(NC(=O)CN3CC[NH+](C[C@H](C)O)CC3)cc2)CC1 ZINC000734211591 1201645865 /nfs/dbraw/zinc/64/58/65/1201645865.db2.gz VSZWDCYULUHQGQ-SFHVURJKSA-N 2 1 389.544 0.765 20 0 GCADMP C[NH+](C)CCOc1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000735592350 1201694906 /nfs/dbraw/zinc/69/49/06/1201694906.db2.gz DRKDLSCVCPMQQJ-AEFFLSMTSA-N 2 1 390.484 0.545 20 0 GCADMP O=C(CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCC([NH+]2CCC2)CC1 ZINC000827911366 1201709981 /nfs/dbraw/zinc/70/99/81/1201709981.db2.gz ZCBXSUPUHRKYEB-SFHVURJKSA-N 2 1 378.517 0.396 20 0 GCADMP O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000741415824 1201778155 /nfs/dbraw/zinc/77/81/55/1201778155.db2.gz XSLGKMJNYHBLKO-QKNQBKEWSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000741415824 1201778162 /nfs/dbraw/zinc/77/81/62/1201778162.db2.gz XSLGKMJNYHBLKO-QKNQBKEWSA-N 2 1 388.512 0.786 20 0 GCADMP O=C(NC[C@@H]1C[NH+]2CCC[C@H]2CO1)NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000741415824 1201778166 /nfs/dbraw/zinc/77/81/66/1201778166.db2.gz XSLGKMJNYHBLKO-QKNQBKEWSA-N 2 1 388.512 0.786 20 0 GCADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741500231 1201780209 /nfs/dbraw/zinc/78/02/09/1201780209.db2.gz GNRIWTAIBWIGJS-HNNXBMFYSA-N 2 1 381.550 0.332 20 0 GCADMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000745830729 1201892243 /nfs/dbraw/zinc/89/22/43/1201892243.db2.gz PNXLVZGFRLSFMK-FUHWJXTLSA-N 2 1 395.548 0.516 20 0 GCADMP COc1ccc(CN2CC[C@@H]([NH2+]CCC[NH+](CCO)CCO)CC2=O)cc1 ZINC001168890635 1201927950 /nfs/dbraw/zinc/92/79/50/1201927950.db2.gz BVXXXRYJWITEDP-GOSISDBHSA-N 2 1 379.501 0.453 20 0 GCADMP Cn1cc(C[C@@H]2[NH2+]CC[C@H]2N([C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)S(C)(=O)=O)cn1 ZINC001169130421 1201932757 /nfs/dbraw/zinc/93/27/57/1201932757.db2.gz NXHPEBOVILDPGI-FLXSYLCISA-N 2 1 381.546 0.580 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC001169197620 1201936164 /nfs/dbraw/zinc/93/61/64/1201936164.db2.gz WEWQVUXUZPFKPP-OAGGEKHMSA-N 2 1 390.532 0.922 20 0 GCADMP C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC001169197620 1201936167 /nfs/dbraw/zinc/93/61/67/1201936167.db2.gz WEWQVUXUZPFKPP-OAGGEKHMSA-N 2 1 390.532 0.922 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397475 1201946353 /nfs/dbraw/zinc/94/63/53/1201946353.db2.gz OBCXAMSTABSCTB-DFBDCSAJSA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([N@H+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[NH+]3C)C2)CO1 ZINC001169397475 1201946355 /nfs/dbraw/zinc/94/63/55/1201946355.db2.gz OBCXAMSTABSCTB-DFBDCSAJSA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3C)C2)CO1 ZINC001169397475 1201946358 /nfs/dbraw/zinc/94/63/58/1201946358.db2.gz OBCXAMSTABSCTB-DFBDCSAJSA-N 2 1 377.489 0.783 20 0 GCADMP CCOC(=O)[C@H]1CC[C@@H]([NH+]2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)CO1 ZINC001169397475 1201946360 /nfs/dbraw/zinc/94/63/60/1201946360.db2.gz OBCXAMSTABSCTB-DFBDCSAJSA-N 2 1 377.489 0.783 20 0 GCADMP COC(=O)[C@@H]([NH3+])CCCNC(=[NH2+])N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001169729083 1201955634 /nfs/dbraw/zinc/95/56/34/1201955634.db2.gz QMSLZCCSZRQPFQ-CVEARBPZSA-N 2 1 375.473 0.686 20 0 GCADMP CCS(=O)(=O)NCCC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001109306123 1202018740 /nfs/dbraw/zinc/01/87/40/1202018740.db2.gz UCEGBVJHUYXYSC-MTSZKFMLSA-N 2 1 386.562 0.378 20 0 GCADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C2 ZINC001109306123 1202018743 /nfs/dbraw/zinc/01/87/43/1202018743.db2.gz UCEGBVJHUYXYSC-MTSZKFMLSA-N 2 1 386.562 0.378 20 0 GCADMP CCS(=O)(=O)NCCC[NH+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C2 ZINC001109306123 1202018744 /nfs/dbraw/zinc/01/87/44/1202018744.db2.gz UCEGBVJHUYXYSC-MTSZKFMLSA-N 2 1 386.562 0.378 20 0 GCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CCC1=O ZINC001109360550 1202025111 /nfs/dbraw/zinc/02/51/11/1202025111.db2.gz ADQOZEONMWVSNL-WCVJEAGWSA-N 2 1 382.480 0.537 20 0 GCADMP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CCC1=O ZINC001109360550 1202025112 /nfs/dbraw/zinc/02/51/12/1202025112.db2.gz ADQOZEONMWVSNL-WCVJEAGWSA-N 2 1 382.480 0.537 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)O1 ZINC001109442845 1202051884 /nfs/dbraw/zinc/05/18/84/1202051884.db2.gz JMAFHEQTEOJIFB-ZSXDVEMLSA-N 2 1 390.532 0.889 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CCCCCn2cncn2)O1 ZINC001109442845 1202051886 /nfs/dbraw/zinc/05/18/86/1202051886.db2.gz JMAFHEQTEOJIFB-ZSXDVEMLSA-N 2 1 390.532 0.889 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CCCCCn2cncn2)O1 ZINC001109442845 1202051889 /nfs/dbraw/zinc/05/18/89/1202051889.db2.gz JMAFHEQTEOJIFB-ZSXDVEMLSA-N 2 1 390.532 0.889 20 0 GCADMP C[C@@H]1C[NH+](C)C[C@H](C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CCCCCn2cncn2)O1 ZINC001109442845 1202051891 /nfs/dbraw/zinc/05/18/91/1202051891.db2.gz JMAFHEQTEOJIFB-ZSXDVEMLSA-N 2 1 390.532 0.889 20 0 GCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC001109673920 1202103877 /nfs/dbraw/zinc/10/38/77/1202103877.db2.gz UBONNWGIFVEWLM-OWSLCNJRSA-N 2 1 378.517 0.297 20 0 GCADMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCOC[C@H]1C1CC1 ZINC001109673920 1202103879 /nfs/dbraw/zinc/10/38/79/1202103879.db2.gz UBONNWGIFVEWLM-OWSLCNJRSA-N 2 1 378.517 0.297 20 0 GCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001109714373 1202110204 /nfs/dbraw/zinc/11/02/04/1202110204.db2.gz ICIHZHLCRIWSOP-UGUYLWEFSA-N 2 1 379.505 0.380 20 0 GCADMP CC[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCN1C(=O)CNC1=O)[NH+](CC)CC ZINC001109714373 1202110208 /nfs/dbraw/zinc/11/02/08/1202110208.db2.gz ICIHZHLCRIWSOP-UGUYLWEFSA-N 2 1 379.505 0.380 20 0 GCADMP COC[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109720254 1202111330 /nfs/dbraw/zinc/11/13/30/1202111330.db2.gz XYSAIPNUISZUMF-OAOQPFQOSA-N 2 1 378.473 0.613 20 0 GCADMP COC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109720254 1202111332 /nfs/dbraw/zinc/11/13/32/1202111332.db2.gz XYSAIPNUISZUMF-OAOQPFQOSA-N 2 1 378.473 0.613 20 0 GCADMP COC[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109720253 1202111368 /nfs/dbraw/zinc/11/13/68/1202111368.db2.gz XYSAIPNUISZUMF-DEICHXMPSA-N 2 1 378.473 0.613 20 0 GCADMP COC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1cc(C[NH+]3CCCC3)on1)C2 ZINC001109720253 1202111371 /nfs/dbraw/zinc/11/13/71/1202111371.db2.gz XYSAIPNUISZUMF-DEICHXMPSA-N 2 1 378.473 0.613 20 0 GCADMP CCn1cc(CC[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cn1 ZINC001109847814 1202135085 /nfs/dbraw/zinc/13/50/85/1202135085.db2.gz IHIPGKFLPMQTNY-QYZOEREBSA-N 2 1 375.517 0.889 20 0 GCADMP CCn1cc(CC[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)CC[NH+]2CCOCC2)C3)cn1 ZINC001109847814 1202135086 /nfs/dbraw/zinc/13/50/86/1202135086.db2.gz IHIPGKFLPMQTNY-QYZOEREBSA-N 2 1 375.517 0.889 20 0 GCADMP CN(C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2)C1CC1 ZINC001109900260 1202146140 /nfs/dbraw/zinc/14/61/40/1202146140.db2.gz HEKYRWGHPOEMGC-NJAFHUGGSA-N 2 1 378.517 0.440 20 0 GCADMP CN(C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2)C1CC1 ZINC001109900260 1202146141 /nfs/dbraw/zinc/14/61/41/1202146141.db2.gz HEKYRWGHPOEMGC-NJAFHUGGSA-N 2 1 378.517 0.440 20 0 GCADMP CCCC[C@@H](C(N)=O)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902526 1202146637 /nfs/dbraw/zinc/14/66/37/1202146637.db2.gz OCHMGQMKUJKADB-UBDQQSCGSA-N 2 1 380.533 0.863 20 0 GCADMP CCCC[C@@H](C(N)=O)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902526 1202146639 /nfs/dbraw/zinc/14/66/39/1202146639.db2.gz OCHMGQMKUJKADB-UBDQQSCGSA-N 2 1 380.533 0.863 20 0 GCADMP Cn1nccc1CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC1CC[NH+](C)CC1)C2 ZINC001109902769 1202147037 /nfs/dbraw/zinc/14/70/37/1202147037.db2.gz ZQNZBJYAASNBLP-NEWSRXKRSA-N 2 1 375.517 0.795 20 0 GCADMP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001109928489 1202152115 /nfs/dbraw/zinc/15/21/15/1202152115.db2.gz YADATCJZJYBCMA-WCVJEAGWSA-N 2 1 381.521 0.672 20 0 GCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001109928489 1202152117 /nfs/dbraw/zinc/15/21/17/1202152117.db2.gz YADATCJZJYBCMA-WCVJEAGWSA-N 2 1 381.521 0.672 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001109928489 1202152118 /nfs/dbraw/zinc/15/21/18/1202152118.db2.gz YADATCJZJYBCMA-WCVJEAGWSA-N 2 1 381.521 0.672 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2[C@H](C)C(=O)NC(=O)NC(C)C ZINC001109928489 1202152119 /nfs/dbraw/zinc/15/21/19/1202152119.db2.gz YADATCJZJYBCMA-WCVJEAGWSA-N 2 1 381.521 0.672 20 0 GCADMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000771625434 1202152200 /nfs/dbraw/zinc/15/22/00/1202152200.db2.gz DRTZKSLVXJWJDS-CQSZACIVSA-N 2 1 380.489 0.871 20 0 GCADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000771625434 1202152202 /nfs/dbraw/zinc/15/22/02/1202152202.db2.gz DRTZKSLVXJWJDS-CQSZACIVSA-N 2 1 380.489 0.871 20 0 GCADMP CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@H](O)COCC(F)(F)F ZINC001109932177 1202152731 /nfs/dbraw/zinc/15/27/31/1202152731.db2.gz DOGXOGFZCNTPDO-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001109932177 1202152733 /nfs/dbraw/zinc/15/27/33/1202152733.db2.gz DOGXOGFZCNTPDO-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@H](O)COCC(F)(F)F ZINC001109932177 1202152737 /nfs/dbraw/zinc/15/27/37/1202152737.db2.gz DOGXOGFZCNTPDO-QPSCCSFWSA-N 2 1 381.439 0.990 20 0 GCADMP CN(C)c1cc(C[N@@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)ccn1 ZINC001109977352 1202165099 /nfs/dbraw/zinc/16/50/99/1202165099.db2.gz FWYQVSRYWXOENP-SQNIBIBYSA-N 2 1 375.517 0.947 20 0 GCADMP CN(C)c1cc(C[N@H+]2[C@@H]3CC[C@H]2[C@@H](NC(=O)COCC[NH+](C)C)C3)ccn1 ZINC001109977352 1202165104 /nfs/dbraw/zinc/16/51/04/1202165104.db2.gz FWYQVSRYWXOENP-SQNIBIBYSA-N 2 1 375.517 0.947 20 0 GCADMP C[C@H]1CCCCN1C(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977574 1202165309 /nfs/dbraw/zinc/16/53/09/1202165309.db2.gz PJSZDUVMIQAFRR-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP C[C@H]1CCCCN1C(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977574 1202165311 /nfs/dbraw/zinc/16/53/11/1202165311.db2.gz PJSZDUVMIQAFRR-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980483 1202165713 /nfs/dbraw/zinc/16/57/13/1202165713.db2.gz OOCZKCJVQBRYMI-RANZSIQMSA-N 2 1 382.549 0.979 20 0 GCADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109980483 1202165716 /nfs/dbraw/zinc/16/57/16/1202165716.db2.gz OOCZKCJVQBRYMI-RANZSIQMSA-N 2 1 382.549 0.979 20 0 GCADMP C[NH+](C)CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCCCCn1cncn1 ZINC001109980653 1202166512 /nfs/dbraw/zinc/16/65/12/1202166512.db2.gz VGXMKFQAFLLOIM-SQNIBIBYSA-N 2 1 378.521 0.748 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002816 1202172972 /nfs/dbraw/zinc/17/29/72/1202172972.db2.gz WJYPEJWFOZKXBE-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP COCCCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)C2 ZINC001110002816 1202172974 /nfs/dbraw/zinc/17/29/74/1202172974.db2.gz WJYPEJWFOZKXBE-BDXSIMOUSA-N 2 1 382.549 0.981 20 0 GCADMP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110017991 1202176463 /nfs/dbraw/zinc/17/64/63/1202176463.db2.gz WMIOHLZZJLWNGY-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[N@@H+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110017991 1202176465 /nfs/dbraw/zinc/17/64/65/1202176465.db2.gz WMIOHLZZJLWNGY-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110017991 1202176466 /nfs/dbraw/zinc/17/64/66/1202176466.db2.gz WMIOHLZZJLWNGY-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP CCC[NH+](C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)N1CCO[C@@H](C)C1 ZINC001110017991 1202176468 /nfs/dbraw/zinc/17/64/68/1202176468.db2.gz WMIOHLZZJLWNGY-MHORFTMASA-N 2 1 380.533 0.687 20 0 GCADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000790273888 1205461583 /nfs/dbraw/zinc/46/15/83/1205461583.db2.gz OLMXRJKVYRQXJR-RCCFBDPRSA-N 2 1 378.517 0.489 20 0 GCADMP Cn1cc([C@H]2C[N@H+](CCC(=O)N3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC001170434620 1205500167 /nfs/dbraw/zinc/50/01/67/1205500167.db2.gz JQNZRMXQAZRULS-GOSISDBHSA-N 2 1 375.517 0.780 20 0 GCADMP Cn1cc([C@H]2C[N@@H+](CCC(=O)N3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC001170434620 1205500168 /nfs/dbraw/zinc/50/01/68/1205500168.db2.gz JQNZRMXQAZRULS-GOSISDBHSA-N 2 1 375.517 0.780 20 0 GCADMP Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000793803545 1205506542 /nfs/dbraw/zinc/50/65/42/1205506542.db2.gz TWPOAXRIRLSCGS-QGZVFWFLSA-N 2 1 382.468 0.889 20 0 GCADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCOCC3CC3)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001129858306 1205521103 /nfs/dbraw/zinc/52/11/03/1205521103.db2.gz VDWXMQWATQYNRW-DDBAPUKQSA-N 2 1 376.505 0.386 20 0 GCADMP COCC[N@H+]1CC[C@@H](NC(=O)C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000804897702 1205527804 /nfs/dbraw/zinc/52/78/04/1205527804.db2.gz VKWSAWLBWNCGGJ-LXPRWKDFSA-N 2 1 380.533 0.737 20 0 GCADMP COCCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130593383 1205554329 /nfs/dbraw/zinc/55/43/29/1205554329.db2.gz ZKRCIFBGRCTBTJ-VXIBKDFQSA-N 2 1 393.532 0.307 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](c3cn(C)cn3)[C@H]([NH2+]CCOCCO)C2)CC[N@H+]1C ZINC001130596520 1205554880 /nfs/dbraw/zinc/55/48/80/1205554880.db2.gz HHOGVFXKZOGHPQ-RNIPGJKVSA-N 2 1 393.532 0.043 20 0 GCADMP Cc1cccn2cc(CCNC(=O)C(=O)NC[C@H]3C[N@H+]4CCC[C@H]4CO3)nc12 ZINC000806537731 1205558285 /nfs/dbraw/zinc/55/82/85/1205558285.db2.gz VCZRVFVZHNCOQT-IRXDYDNUSA-N 2 1 385.468 0.281 20 0 GCADMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C/Cl)C2)O1 ZINC001131014607 1205587853 /nfs/dbraw/zinc/58/78/53/1205587853.db2.gz BZLNJXZXPAMNJK-LQGKFGNSSA-N 2 1 381.908 0.776 20 0 GCADMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2C[C@@H](c3cncn3C)[C@H]([NH2+]C/C=C/Cl)C2)O1 ZINC001131014607 1205587854 /nfs/dbraw/zinc/58/78/54/1205587854.db2.gz BZLNJXZXPAMNJK-LQGKFGNSSA-N 2 1 381.908 0.776 20 0 GCADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)C1 ZINC001170551364 1205607043 /nfs/dbraw/zinc/60/70/43/1205607043.db2.gz JUWZXFCPRGCWAI-SJORKVTESA-N 2 1 381.517 0.831 20 0 GCADMP COC(=O)[C@@H]1CC[C@H]([NH+]2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)C1 ZINC001170551364 1205607044 /nfs/dbraw/zinc/60/70/44/1205607044.db2.gz JUWZXFCPRGCWAI-SJORKVTESA-N 2 1 381.517 0.831 20 0 GCADMP COC(=O)CC[C@]1(C)NC(=O)N(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000811761749 1205657245 /nfs/dbraw/zinc/65/72/45/1205657245.db2.gz UEGGCFJIZWYNDM-BEFAXECRSA-N 2 1 380.489 0.871 20 0 GCADMP CN(C)C(=O)C[N@H+]1CCOCC2(CC[NH+](C3C[C@@H]4COC[C@H](C3)N4C)CC2)C1 ZINC001172136473 1205712738 /nfs/dbraw/zinc/71/27/38/1205712738.db2.gz BRBOXSVVWCROGC-YQQQUEKLSA-N 2 1 394.560 0.351 20 0 GCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001172108665 1205713156 /nfs/dbraw/zinc/71/31/56/1205713156.db2.gz CTPCVHRMJRVBFF-INSJMTBZSA-N 2 1 388.516 0.417 20 0 GCADMP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C3C[C@@H]4COC[C@H](C3)[N@@H+]4C)C2)CC1 ZINC001172140570 1205713223 /nfs/dbraw/zinc/71/32/23/1205713223.db2.gz WQJYCURUVFLTKY-XUBOLADHSA-N 2 1 388.560 0.424 20 0 GCADMP CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C3C[C@@H]4COC[C@H](C3)[N@H+]4C)C2)CC1 ZINC001172140570 1205713224 /nfs/dbraw/zinc/71/32/24/1205713224.db2.gz WQJYCURUVFLTKY-XUBOLADHSA-N 2 1 388.560 0.424 20 0 GCADMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](n1cncc1C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(N)=O)C2 ZINC001172108660 1205713230 /nfs/dbraw/zinc/71/32/30/1205713230.db2.gz CTPCVHRMJRVBFF-CRCOGDFISA-N 2 1 388.516 0.417 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172172360 1205713547 /nfs/dbraw/zinc/71/35/47/1205713547.db2.gz PKFBMHSYKFKLIK-KBPBESRZSA-N 2 1 375.473 0.478 20 0 GCADMP C[NH+](C)CCNC(=O)c1noc2c1C[N@H+]([C@H]1CCN3C(=O)CC[C@H]3C1)CC2 ZINC001172172360 1205713548 /nfs/dbraw/zinc/71/35/48/1205713548.db2.gz PKFBMHSYKFKLIK-KBPBESRZSA-N 2 1 375.473 0.478 20 0 GCADMP COC(=O)[C@H]1C[C@H]([NH+]2CCN(CC[NH3+])CC2)C[C@H]1C(=O)OCc1ccccc1 ZINC001172272709 1205714806 /nfs/dbraw/zinc/71/48/06/1205714806.db2.gz PVQNPBLGPZYJJQ-GBESFXJTSA-N 2 1 389.496 0.874 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CC1 ZINC001172252670 1205715088 /nfs/dbraw/zinc/71/50/88/1205715088.db2.gz VHPVFMIKKRYBBF-QRQLOZEOSA-N 2 1 381.517 0.846 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CC1 ZINC001172252670 1205715089 /nfs/dbraw/zinc/71/50/89/1205715089.db2.gz VHPVFMIKKRYBBF-QRQLOZEOSA-N 2 1 381.517 0.846 20 0 GCADMP COCCC[NH+]1CCC([N@@H+]2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)CC1 ZINC001172255318 1205715097 /nfs/dbraw/zinc/71/50/97/1205715097.db2.gz NPUNFFXTANCRGA-QWFCFKBJSA-N 2 1 390.528 0.955 20 0 GCADMP COCCC[NH+]1CCC([N@H+]2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)CC1 ZINC001172255318 1205715098 /nfs/dbraw/zinc/71/50/98/1205715098.db2.gz NPUNFFXTANCRGA-QWFCFKBJSA-N 2 1 390.528 0.955 20 0 GCADMP COC(=O)[C@H]1CCC[C@H]([N@H+]2CC[C@@H]3C[NH+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612626 1205716466 /nfs/dbraw/zinc/71/64/66/1205716466.db2.gz COSAHIPPEQPJLT-XWTMOSNGSA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612626 1205716468 /nfs/dbraw/zinc/71/64/68/1205716468.db2.gz COSAHIPPEQPJLT-XWTMOSNGSA-N 2 1 381.517 0.829 20 0 GCADMP COC(=O)[C@H]1CCC[C@H]([NH+]2CC[C@@H]3C[N@@H+](CC(=O)N(C)C)CCO[C@@H]3C2)C1 ZINC001172612626 1205716470 /nfs/dbraw/zinc/71/64/70/1205716470.db2.gz COSAHIPPEQPJLT-XWTMOSNGSA-N 2 1 381.517 0.829 20 0 GCADMP CC[N@H+]1CC[C@H](N(C[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)c2ncc(F)cn2)C1 ZINC001173363194 1205720162 /nfs/dbraw/zinc/72/01/62/1205720162.db2.gz JOBNSQROQAIGFH-VDZJLULYSA-N 2 1 379.480 0.911 20 0 GCADMP COC(=O)[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCO)CCN1C(=O)c1ccccc1 ZINC001173509063 1205721935 /nfs/dbraw/zinc/72/19/35/1205721935.db2.gz QFQKFIXVAYSQJT-QZTJIDSGSA-N 2 1 377.485 0.737 20 0 GCADMP COC(=O)[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@H](C(=O)OC)C1 ZINC001173494042 1205722593 /nfs/dbraw/zinc/72/25/93/1205722593.db2.gz AOOJAVHKNLNYGY-OAGGEKHMSA-N 2 1 377.441 0.170 20 0 GCADMP COC(=O)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)CCN1C(=O)c1ccccc1 ZINC001173493762 1205722679 /nfs/dbraw/zinc/72/26/79/1205722679.db2.gz AEIYAAJFOXIPOB-RTBURBONSA-N 2 1 389.496 0.879 20 0 GCADMP COCC[N@H+]1CCO[C@@H]2C[NH+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579036 1205724767 /nfs/dbraw/zinc/72/47/67/1205724767.db2.gz OFFSOJHAUCZFLG-UYTYNIKBSA-N 2 1 398.500 0.396 20 0 GCADMP COCC[NH+]1CCO[C@@H]2C[N@@H+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579036 1205724769 /nfs/dbraw/zinc/72/47/69/1205724769.db2.gz OFFSOJHAUCZFLG-UYTYNIKBSA-N 2 1 398.500 0.396 20 0 GCADMP COCC[NH+]1CCO[C@@H]2C[N@H+]([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC[C@@H]2C1 ZINC001173579036 1205724771 /nfs/dbraw/zinc/72/47/71/1205724771.db2.gz OFFSOJHAUCZFLG-UYTYNIKBSA-N 2 1 398.500 0.396 20 0 GCADMP C[NH2+][C@H](C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1)c1cnn(C)c1 ZINC000262338566 1205806575 /nfs/dbraw/zinc/80/65/75/1205806575.db2.gz HQXHEIJZQHMADP-SFHVURJKSA-N 2 1 375.473 0.946 20 0 GCADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001180408470 1205824804 /nfs/dbraw/zinc/82/48/04/1205824804.db2.gz WTWQPSULHRZJIV-GBESFXJTSA-N 2 1 389.496 0.697 20 0 GCADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001182002061 1205853202 /nfs/dbraw/zinc/85/32/02/1205853202.db2.gz WVRHDQFNZKZYAH-QGZVFWFLSA-N 2 1 380.514 0.807 20 0 GCADMP Cc1ccccc1C[N@H+]1CCC[C@@H](C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001182342192 1205865775 /nfs/dbraw/zinc/86/57/75/1205865775.db2.gz DAHJXTWDBCHMPG-QGZVFWFLSA-N 2 1 378.477 0.872 20 0 GCADMP C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H]2CCC[N@H+]2CC2CC2)CC3)CC1 ZINC001182556873 1205875826 /nfs/dbraw/zinc/87/58/26/1205875826.db2.gz MXFCHHDOQIVFSP-IBGZPJMESA-N 2 1 386.544 0.847 20 0 GCADMP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001183557369 1205894991 /nfs/dbraw/zinc/89/49/91/1205894991.db2.gz PSYAVEVWRYPAKU-LJQANCHMSA-N 2 1 378.517 0.302 20 0 GCADMP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001183557369 1205894993 /nfs/dbraw/zinc/89/49/93/1205894993.db2.gz PSYAVEVWRYPAKU-LJQANCHMSA-N 2 1 378.517 0.302 20 0 GCADMP C[NH+](C)[C@H](CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccco1 ZINC000774827942 1205916454 /nfs/dbraw/zinc/91/64/54/1205916454.db2.gz SLTGZMQNXUXDSX-DLBZAZTESA-N 2 1 392.500 0.758 20 0 GCADMP CN1CC[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[NH+]2C1 ZINC001185262298 1205919796 /nfs/dbraw/zinc/91/97/96/1205919796.db2.gz MEEMZPVRZVWWCR-IKGGRYGDSA-N 2 1 395.548 0.290 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C1 ZINC001185262298 1205919797 /nfs/dbraw/zinc/91/97/97/1205919797.db2.gz MEEMZPVRZVWWCR-IKGGRYGDSA-N 2 1 395.548 0.290 20 0 GCADMP CN1CC[NH+](C)C[C@H]1C(=O)NC[C@H]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C1 ZINC001185262298 1205919798 /nfs/dbraw/zinc/91/97/98/1205919798.db2.gz MEEMZPVRZVWWCR-IKGGRYGDSA-N 2 1 395.548 0.290 20 0 GCADMP Cc1cnc2c(N(CC[NH3+])C(=O)C[N@@H+]3CC[C@@H](O)C3)nc3ccc(C)cc3n12 ZINC001186055031 1205934393 /nfs/dbraw/zinc/93/43/93/1205934393.db2.gz JWNMEMWDMYRHDQ-OAHLLOKOSA-N 2 1 382.468 0.858 20 0 GCADMP Cc1cnc2c(N(CC[NH3+])C(=O)C[N@H+]3CC[C@@H](O)C3)nc3ccc(C)cc3n12 ZINC001186055031 1205934395 /nfs/dbraw/zinc/93/43/95/1205934395.db2.gz JWNMEMWDMYRHDQ-OAHLLOKOSA-N 2 1 382.468 0.858 20 0 GCADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(C(=O)C[N@H+]1CC[C@H](C(=O)OC)C1)C2 ZINC001186105951 1205935111 /nfs/dbraw/zinc/93/51/11/1205935111.db2.gz INQNTMKMPKDIQY-WAOWUJCRSA-N 2 1 393.528 0.688 20 0 GCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)C1 ZINC001186115645 1205935309 /nfs/dbraw/zinc/93/53/09/1205935309.db2.gz HRERZGSHJPBOGU-CDJWAVJASA-N 2 1 383.489 0.579 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)NC2(C(=O)OC(C)(C)C)CCC([NH3+])CC2)C1 ZINC001186115645 1205935310 /nfs/dbraw/zinc/93/53/10/1205935310.db2.gz HRERZGSHJPBOGU-CDJWAVJASA-N 2 1 383.489 0.579 20 0 GCADMP COC(=O)[C@H]1CC[N@H+](CC(=O)N(c2ccnc(OC)c2)C2CC[NH2+]CC2)C1 ZINC001186108130 1205935384 /nfs/dbraw/zinc/93/53/84/1205935384.db2.gz WIZXUBUCALCNLO-AWEZNQCLSA-N 2 1 376.457 0.670 20 0 GCADMP COC(=O)[C@H]1CC[N@@H+](CC(=O)N(c2ccnc(OC)c2)C2CC[NH2+]CC2)C1 ZINC001186108130 1205935386 /nfs/dbraw/zinc/93/53/86/1205935386.db2.gz WIZXUBUCALCNLO-AWEZNQCLSA-N 2 1 376.457 0.670 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850051 1205949131 /nfs/dbraw/zinc/94/91/31/1205949131.db2.gz UKHVCIKJUALUOZ-GJZGRUSLSA-N 2 1 382.505 0.694 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@H]2C(=O)NC2(C[NH3+])COC2)C1 ZINC001186850051 1205949132 /nfs/dbraw/zinc/94/91/32/1205949132.db2.gz UKHVCIKJUALUOZ-GJZGRUSLSA-N 2 1 382.505 0.694 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+]2CCCC[C@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839853 1205949183 /nfs/dbraw/zinc/94/91/83/1205949183.db2.gz MEZGFWBPYIGPLT-HOTGVXAUSA-N 2 1 384.521 0.548 20 0 GCADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+]2CCCC[C@H]2C(=O)NCC[NH2+]CCO)C1 ZINC001186839853 1205949184 /nfs/dbraw/zinc/94/91/84/1205949184.db2.gz MEZGFWBPYIGPLT-HOTGVXAUSA-N 2 1 384.521 0.548 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(=O)NC4CC4)C[C@H]32)CC[N@@H+]1C ZINC001187971679 1205973110 /nfs/dbraw/zinc/97/31/10/1205973110.db2.gz WSZJTXRFJLNKOX-QMCVQRASSA-N 2 1 391.516 0.238 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CC(=O)NC(=O)NC4CC4)C[C@H]32)CC[N@H+]1C ZINC001187971679 1205973111 /nfs/dbraw/zinc/97/31/11/1205973111.db2.gz WSZJTXRFJLNKOX-QMCVQRASSA-N 2 1 391.516 0.238 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@H+](CC(=O)NC(=O)NC4CC4)C[C@H]32)CC[NH+]1C ZINC001187971679 1205973115 /nfs/dbraw/zinc/97/31/15/1205973115.db2.gz WSZJTXRFJLNKOX-QMCVQRASSA-N 2 1 391.516 0.238 20 0 GCADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NC(=O)NC4CC4)C[C@H]32)CC[NH+]1C ZINC001187971679 1205973116 /nfs/dbraw/zinc/97/31/16/1205973116.db2.gz WSZJTXRFJLNKOX-QMCVQRASSA-N 2 1 391.516 0.238 20 0 GCADMP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CCCCCC1 ZINC000775220892 1205995499 /nfs/dbraw/zinc/99/54/99/1205995499.db2.gz CTDVBNCIFZHCPU-IAGOWNOFSA-N 2 1 380.533 0.737 20 0 GCADMP